| 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 | 42.4 | Very low | 42.4 | Very low | 254 Ų | 254 | 162.9 Ų | 162.9 | 100% | 1.251 | 85% | 0.852 | S | S | * | * | 0 | 134.6 | 0 | -80.6 | 165.7 | 172.1 | 0 | 0 | 107.6 | |||||
| 2 | E | 37.4 | Very low | 41.5 | Very low | 144 Ų | 144 | 155.6 Ų | 155.6 | 67% | 0.673 | 85% | 0.846 | S | S | * | * | trans | -112.8 | 138.1 | -162.3 | -168.5 | 155 | 123.6 | 0 | 0 | 110.9 | R4 | E2-R4 HydrophobicContact CG-CG 4.12Å; E2-R4 IonicContact OE1-CZ 3.16Å; E2-R4 IonicContact OE1-NE 2.7Å; E2-R4 PolarHBondContact OE1-NE 3.08Å; E2-R4 IonicContact OE1-NH2 2.73Å; E2-R4 PolarHBondContact OE1-NH2 3.07Å | ||
| 3 | S | 42.4 | Very low | 41.4 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | trans | -138 | 103.7 | 165.5 | 37.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | R | 45.9 | Very low | 42 | Very low | 199 Ų | 199 | 156.2 Ų | 156.2 | 75% | 0.751 | 85% | 0.848 | S | S | * | * | trans | -80.4 | 169.8 | 179.2 | -59.7 | 173.7 | -175.3 | -179.8 | 0.7 | 111.3 | E2 | E2-R4 HydrophobicContact CG-CG 4.12Å; E2-R4 IonicContact OE1-CZ 3.16Å; E2-R4 IonicContact OE1-NE 2.7Å; E2-R4 PolarHBondContact OE1-NE 3.08Å; E2-R4 IonicContact OE1-NH2 2.73Å; E2-R4 PolarHBondContact OE1-NH2 3.07Å | ||
| 5 | I | 50.8 | Low | 41.7 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 82% | 0.815 | 85% | 0.85 | S | S | * | * | trans | 146.3 | 89.1 | 132.2 | -73.1 | 153.7 | 0 | 0 | 0 | 106.9 | ||||
| 6 | R | 50.7 | Low | 41.4 | Very low | 228 Ų | 228 | 147.8 Ų | 147.8 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | 58.4 | 111.4 | 95.2 | -91.6 | -166.9 | 173.2 | -164.6 | -1.7 | 114.6 | |||||
| 7 | P | 46.3 | Very low | 42 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -80.6 | 151.1 | 162.8 | 34.5 | -32.5 | 0 | 0 | 0 | 110.8 | ||||
| 8 | L | 38.3 | Very low | 42.2 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -107 | 119.3 | 170.1 | -74.7 | 171.6 | 0 | 0 | 0 | 110.2 | ||||
| 9 | S | 37.4 | Very low | 41.8 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 84% | 0.844 | S | S | * | * | trans | -106.9 | 143.7 | 160.1 | 170.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 10 | M | 36.8 | Very low | 41.8 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | trans | -149.5 | 146.5 | 155.5 | -89.3 | -59 | 100.1 | 0 | 0 | 109.5 | ||||
| 11 | A | 38.1 | Very low | 42.1 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -116 | 168.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | G | 31.8 | Very low | 42.4 | Very low | 75 Ų | 75 | 135.9 Ų | 135.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 171.6 | 107.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 13 | H | 39.6 | Very low | 43.2 | Very low | 192 Ų | 192 | 137 Ų | 137 | 89% | 0.889 | 83% | 0.829 | S | S | * | * | trans | -81.6 | 179.3 | 163.4 | -69.9 | -68.9 | 0 | 0 | 0 | 110.1 | ||||
| 14 | P | 49.6 | Very low | 43.4 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | cis | -142 | -157.9 | 18.1 | 43.1 | -20.4 | 0 | 0 | 0 | 116.3 | ||||
| 15 | A | 38.4 | Very low | 43.7 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -92.1 | 162.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 16 | G | 35.8 | Very low | 43.8 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | -171.3 | 153.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 17 | P | 53.2 | Low | 44 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -125 | 176.8 | -149.2 | 42.2 | -28.8 | 0 | 0 | 0 | 117.3 | ||||
| 18 | L | 45.1 | Very low | 44.4 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | trans | 79.1 | 141.1 | 163.9 | -53.3 | 174.5 | 0 | 0 | 0 | 118.7 | ||||
| 19 | G | 35 | Very low | 45 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 128.6 | 90.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 20 | G | 40.6 | Very low | 45.6 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -100.5 | 158.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 21 | L | 48.2 | Very low | 46.4 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -154.2 | 145.1 | 148.6 | -84.7 | -173.8 | 0 | 0 | 0 | 108.8 | ||||
| 22 | P | 49.3 | Very low | 47.2 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -85.1 | 132.3 | -176.3 | 32.9 | -33.1 | 0 | 0 | 0 | 112.4 | ||||
| 23 | I | 53.8 | Low | 48.4 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | -120.5 | 132.5 | 171.9 | -64.4 | 176 | 0 | 0 | 0 | 109.1 | ||||
| 24 | A | 47.8 | Very low | 49 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 150.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S26 | A24-S26 PolarHBondContact O-N 3.15Å; A24-S26 VanDerWaalsContact O-N 3.13Å | ||
| 25 | P | 50.4 | Low | 49.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -84.9 | 86.7 | -174.8 | 34.3 | -35.3 | 0 | 0 | 0 | 112.6 | ||||
| 26 | S | 53.6 | Low | 49.7 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -133.6 | 35.1 | -176.1 | -63.1 | 0 | 0 | 0 | 0 | 115.2 | A24 | A24-S26 PolarHBondContact O-N 3.15Å; A24-S26 VanDerWaalsContact O-N 3.13Å | ||
| 27 | L | 55.1 | Low | 50.1 | Low | 172 Ų | 172 | 140.8 Ų | 140.8 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -121.2 | 27.5 | -179.6 | -69.9 | -179.4 | 0 | 0 | 0 | 115.6 | ||||
| 28 | L | 55.5 | Low | 49.8 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -127.1 | 67.8 | 166.8 | -72.9 | 176.5 | 0 | 0 | 0 | 111.5 | ||||
| 29 | R | 49 | Very low | 50.2 | Low | 242 Ų | 242 | 138.4 Ų | 138.4 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | trans | -117.8 | 98.1 | 162.4 | -162.9 | 169.1 | -167.2 | 145.5 | 2.7 | 108.8 | ||||
| 30 | H | 51.6 | Low | 51.1 | Low | 160 Ų | 160 | 139.6 Ų | 139.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 138.3 | 171.5 | -69.5 | -87.5 | 0 | 0 | 0 | 109.6 | ||
| 31 | P | 53.5 | Low | 51.8 | Low | 104 Ų | 104 | 140.1 Ų | 140.1 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 134.4 | 173.8 | 24.9 | -31.5 | 0 | 0 | 0 | 108.1 | L33 | P31-L33 PolarHBondContact O-N 3.33Š|
| 32 | P | 54.8 | Low | 52.1 | Low | 95 Ų | 95 | 139.2 Ų | 139.2 | 62% | 0.617 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 117.4 | 174.8 | 25.6 | -32.2 | 0 | 0 | 0 | 107.4 | F34 | P32-F34 HydrophobicContact CG-CD2 4.25Å; P32-F34 HydrophobicContact CG-CE2 3.79Å; P32-F34 HydrophobicContact CG-CZ 4.31Å; P32-F34 WeakPolarHBondContact O-CD2 3.36Å; P32-F34 PolarHBondContact O-N 3.45Å |
| 33 | L | 55.8 | Low | 52.3 | Low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -64.9 | 87.6 | 161.7 | -67.6 | 179.3 | 0 | 0 | 0 | 106.3 | P31 L35 | P31-L33 PolarHBondContact O-N 3.33Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.81Å | ||
| 34 | F | 53.6 | Low | 52.4 | Low | 179 Ų | 179 | 142.3 Ų | 142.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -51.8 | 107.8 | 161.9 | -73 | -85.9 | 0 | 0 | 0 | 105.7 | P32 R36 | P32-F34 HydrophobicContact CG-CD2 4.25Å; P32-F34 HydrophobicContact CG-CE2 3.79Å; P32-F34 HydrophobicContact CG-CZ 4.31Å; P32-F34 WeakPolarHBondContact O-CD2 3.36Å; P32-F34 PolarHBondContact O-N 3.45Å; F34-R36 PolarHBondContact O-N 2.89Å | ||
| 35 | L | 53.6 | Low | 52.9 | Low | 175 Ų | 175 | 142.6 Ų | 142.6 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -59.9 | 91.4 | 159.4 | -81.6 | 170.6 | 0 | 0 | 0 | 105.1 | L33 A37 | L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.81Å; L35-A37 PolarHBondContact O-N 3.3Å | ||
| 36 | R | 47.8 | Very low | 53.7 | Low | 206 Ų | 206 | 144.7 Ų | 144.7 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -61.8 | 90.8 | 176 | -177.3 | 177.8 | -174.5 | 168.9 | -0.1 | 105.1 | F34 C38 | F34-R36 PolarHBondContact O-N 2.89Å; R36-C38 PolarHBondContact O-N 3.03Å | ||
| 37 | A | 45.3 | Very low | 54.9 | Low | 72 Ų | 72 | 144.9 Ų | 144.9 | 60% | 0.595 | 76% | 0.763 | S | S | * | * | trans | -45 | 116.9 | 159 | 0 | 0 | 0 | 0 | 0 | 105.3 | L35 N39 | L35-A37 PolarHBondContact O-N 3.3Å; A37-N39 PolarHBondContact O-N 2.71Å | ||
| 38 | C | 46.7 | Very low | 56.3 | Low | 116 Ų | 116 | 147 Ų | 147 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | trans | -69.1 | 77.5 | 178.7 | -68.7 | 0 | 0 | 0 | 0 | 107.6 | R36 P40 | R36-C38 PolarHBondContact O-N 3.03Å; C38-P40 WeakPolarHBondContact O-CD 3.26Å | ||
| 39 | N | 53.7 | Low | 57.7 | Low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | trans | -53.3 | 111.3 | 170 | -83.9 | -42.2 | 0 | 0 | 0 | 106.5 | A37 A41 | A37-N39 PolarHBondContact O-N 2.71Å; N39-A41 PolarHBondContact O-N 2.96Å | ||
| 40 | P | 53.2 | Low | 59.8 | Low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -2.4 | -178.6 | -18.7 | 33.1 | 0 | 0 | 0 | 112.8 | C38 | C38-P40 WeakPolarHBondContact O-CD 3.26Š|
| 41 | A | 55.6 | Low | 61.8 | Low | 84 Ų | 84 | 134.8 Ų | 134.8 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -26.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N39 | N39-A41 PolarHBondContact O-N 2.96Š|
| 42 | L | 53.7 | Low | 63.9 | Low | 146 Ų | 146 | 130.3 Ų | 130.3 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -91.1 | -25.3 | -174.7 | -102.9 | 167.5 | 0 | 0 | 0 | 114.8 | ||
| 43 | E | 55.3 | Low | 65.8 | Low | 165 Ų | 165 | 127.2 Ų | 127.2 | 77% | 0.771 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -101.5 | 9.2 | -176.4 | -78.5 | -62.1 | 146.3 | 0 | 0 | 114.2 | ||
| 44 | R | 55.5 | Low | 67.8 | Low | 194 Ų | 194 | 121.9 Ų | 121.9 | 73% | 0.732 | 64% | 0.642 | S | S | * | * | trans | -149.7 | 54.1 | -179.4 | -140.1 | 87.3 | -111.8 | -164.3 | 3.1 | 113.6 | Y46 | R44-Y46 PolarHBondContact O-N 2.97Š| ||
| 45 | G | 57.5 | Low | 69.9 | Low | 82 Ų | 82 | 113.4 Ų | 113.4 | 85% | 0.845 | 61% | 0.605 | S | S | * | * | trans | -65.8 | 45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 46 | Y | 67.8 | Low | 71.9 | Confident | 177 Ų | 177 | 112.6 Ų | 112.6 | 69% | 0.694 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -143.3 | 122.9 | 166.6 | -154.3 | -92.1 | 0 | 0 | 0 | 111.1 | R44 R48 | R44-Y46 PolarHBondContact O-N 2.97Å; Y46-R48 PolarHBondContact O-N 3.11Å; Y46-R48 VanDerWaalsContact O-N 3.08Å |
| 47 | P | 79 | Confident | 74.3 | Confident | 106 Ų | 106 | 104 Ų | 104 | 69% | 0.688 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 116.3 | 178.5 | 25.6 | -33.2 | 0 | 0 | 0 | 109.5 | T49 | P47-T49 PolarHBondContact O-N 3.42Å; P47-T49 VanDerWaalsContact O-N 3.13Å |
| 48 | R | 83.8 | Confident | 76.7 | Confident | 217 Ų | 217 | 103.6 Ų | 103.6 | 82% | 0.819 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 118.2 | -175.9 | -66.5 | -72.1 | -98.3 | 170 | -9.1 | 109.2 | Y46 | Y46-R48 PolarHBondContact O-N 3.11Å; Y46-R48 VanDerWaalsContact O-N 3.08Å |
| 49 | T | 84.2 | Confident | 79.1 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 129 | -179.8 | 48.3 | 0 | 0 | 0 | 0 | 110.3 | P47 | P47-T49 PolarHBondContact O-N 3.42Å; P47-T49 VanDerWaalsContact O-N 3.13Å |
| 50 | P | 93.1 | Very high | 81.1 | Confident | 84 Ų | 84 | 98.3 Ų | 98.3 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 140.7 | -177.7 | 25.5 | -33.1 | 0 | 0 | 0 | 110.4 | L64 | P50-L64 HydrophobicContact CB-CB 4.2Å; P50-L64 HydrophobicContact CB-CD2 4.1Å; P50-L64 HydrophobicContact CG-CB 4.29Å; P50-L64 HydrophobicContact CG-CD2 4.49Å; P50-L64 VanDerWaalsContact O-CB 3.23Å; P50-L64 WeakPolarHBondContact O-CB 3.32Å; P50-L64 PolarHBondContact O-N 3.39Å |
| 51 | K | 95.3 | Very high | 83.1 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | B | Isolated β-bridge | trans | -104.7 | 150 | -179.9 | -67.6 | -174.8 | -81.3 | -175.7 | 0 | 111 | A53 V61 S62 | K51-A53 PolarHBondContact O-N 3.36Å; K51-V61 HydrophobicContact CD-CG1 3.59Å; K51-V61 HydrophobicContact CG-CG1 4.39Å; K51-S62 CarbonylContact C-O 3.57Å; K51-S62 WeakPolarHBondContact CA-O 3.49Å |
| 52 | C | 96.2 | Very high | 85 | Confident | 10 Ų | 10 | 95.1 Ų | 95.1 | 7% | 0.068 | 50% | 0.498 | C | S | . | . | trans | -67.4 | 117.6 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 111 | C55 R56 S62 L64 | C52-C55 HydrophobicContact CB-CB 4.13Å; C52-C55 VanDerWaalsContact SG-SG 3.67Å; C52-R56 PolarHBondContact O-N 2.94Å; C52-S62 PolarHBondContact N-O 2.99Å; C52-L64 HydrophobicContact CB-CD1 4.35Å | ||
| 53 | A | 95.9 | Very high | 86.9 | Confident | 29 Ų | 29 | 91 Ų | 91 | 24% | 0.24 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -71.4 | -33.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K51 R56 N57 I84 | K51-A53 PolarHBondContact O-N 3.36Å; A53-R56 PolarHBondContact O-N 3.39Å; A53-N57 PolarHBondContact O-N 3.19Å; A53-N57 PolarHBondContact O-OD1 3.28Å; A53-I84 HydrophobicContact CB-CD1 3.84Å; A53-I84 HydrophobicContact CB-CG2 4.27Å |
| 54 | R | 96.9 | Very high | 88.7 | Confident | 55 Ų | 55 | 86.8 Ų | 86.8 | 21% | 0.208 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.6 | -51.1 | 174 | -74.4 | 174.1 | 169.8 | -84.4 | -0 | 111.3 | R56 N57 H58 W73 R74 C76 | R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 2.82Å; R54-N57 WeakPolarHBondContact O-CB 3.15Å; R54-N57 PolarHBondContact O-N 3.18Å; R54-N57 VanDerWaalsContact O-N 3.17Å; R54-H58 PolarHBondContact O-CD2 2.9Å; R54-H58 VanDerWaalsContact O-CD2 3.31Å; R54-W73 HydrophobicContact CB-CB 4.44Å; R54-W73 WeakPolarHBondContact CD-O 3.36Å; R54-W73 PolarHBondContact NH1-O 3.05Å; R54-W73 VanDerWaalsContact NH1-O 3.11Å; R54-R74 PolarHBondContact NE-O 2.86Å; R54-R74 PolarHBondContact NH1-O 3.17Å; R54-C76 PolarHBondContact NH1-O 2.77Å |
| 55 | C | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | C52 N57 H58 G59 V60 H67 W73 | C52-C55 HydrophobicContact CB-CB 4.13Å; C52-C55 VanDerWaalsContact SG-SG 3.67Å; C55-N57 PolarHBondContact O-N 3.1Å; C55-H58 CarbonylContact O-C 3.56Å; C55-H58 WeakPolarHBondContact O-CA 3.48Å; C55-H58 PolarHBondContact O-N 3.39Å; C55-G59 PolarHBondContact O-N 3.45Å; C55-V60 CarbonylContact C-O 3.49Å; C55-V60 HydrophobicContact CB-CB 4.49Å; C55-V60 WeakPolarHBondContact CB-O 3.44Å; C55-V60 PolarHBondContact O-N 3.08Å; C55-V60 VanDerWaalsContact O-N 3.14Å; C55-V60 VanDerWaalsContact O-O 3.05Å; C55-H67 PolarHBondContact SG-NE2 3.18Å; C55-W73 HydrophobicContact CB-CE3 3.97Å; C55-W73 HydrophobicContact CB-CZ3 3.8Å; C55-W73 VanDerWaalsContact SG-CE3 3.53Å |
| 56 | R | 96.7 | Very high | 92.2 | Very high | 158 Ų | 158 | 85.8 Ų | 85.8 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58.2 | -35.5 | 179.1 | -172.3 | -178.4 | 66 | 171.2 | 0.2 | 112.4 | C52 A53 R54 H58 G59 V60 | C52-R56 PolarHBondContact O-N 2.94Å; A53-R56 PolarHBondContact O-N 3.39Å; R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 2.82Å; R56-H58 PolarHBondContact O-N 3.01Å; R56-G59 PolarHBondContact O-N 2.85Å; R56-V60 PolarHBondContact N-O 3.02Å |
| 57 | N | 96.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 78.9 Ų | 78.9 | 13% | 0.134 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.4 | -24.5 | 176 | -71.6 | -9.4 | 0 | 0 | 0 | 113.6 | A53 R54 C55 K80 C81 I84 | A53-N57 PolarHBondContact O-N 3.19Å; A53-N57 PolarHBondContact O-OD1 3.28Å; R54-N57 WeakPolarHBondContact O-CB 3.15Å; R54-N57 PolarHBondContact O-N 3.18Å; R54-N57 VanDerWaalsContact O-N 3.17Å; C55-N57 PolarHBondContact O-N 3.1Å; N57-K80 HydrophobicContact CB-CB 4.1Å; N57-K80 PolarHBondContact ND2-O 2.91Å; N57-K80 PolarHBondContact O-NZ 3.29Å; N57-C81 PolarHBondContact ND2-SG 3.47Å; N57-I84 WeakPolarHBondContact ND2-CD1 3.33Å |
| 58 | H | 97.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 82 Ų | 82 | 30% | 0.301 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 17 | 179.4 | -63.5 | -78 | 0 | 0 | 0 | 112.8 | R54 C55 R56 V60 W73 C76 C81 | R54-H58 PolarHBondContact O-CD2 2.9Å; R54-H58 VanDerWaalsContact O-CD2 3.31Å; C55-H58 CarbonylContact O-C 3.56Å; C55-H58 WeakPolarHBondContact O-CA 3.48Å; C55-H58 PolarHBondContact O-N 3.39Å; R56-H58 PolarHBondContact O-N 3.01Å; H58-V60 VanDerWaalsContact C-N 3.34Å; H58-V60 PolarHBondContact O-N 2.95Å; H58-W73 HydrophobicContact CB-CD2 3.91Å; H58-W73 VanDerWaalsContact CB-CE2 3.49Å; H58-W73 HydrophobicContact CB-CE3 4.44Å; H58-W73 HydrophobicContact CB-CG 4.37Å; H58-W73 HydrophobicContact CB-CH2 4.22Å; H58-W73 HydrophobicContact CB-CZ2 3.66Å; H58-W73 AromaticContact CD2-CD1 3.31Å; H58-W73 AromaticContact CD2-CD2 3.71Å; H58-W73 AromaticContact CD2-CE2 3.95Å; H58-W73 AromaticContact CD2-CG 3.29Å; H58-W73 AromaticContact CD2-NE1 3.71Å; H58-W73 AromaticContact CE1-CD1 3.78Å; H58-W73 AromaticContact CG-CD1 3.57Å; H58-W73 AromaticContact CG-CD2 3.92Å; H58-W73 AromaticContact CG-CE2 3.69Å; H58-W73 AromaticContact CG-CG 3.85Å; H58-W73 AromaticContact CG-NE1 3.46Å; H58-W73 AromaticContact ND1-CD1 3.85Å; H58-W73 AromaticContact ND1-NE1 3.75Å; H58-W73 AromaticContact NE2-CD1 3.49Å; H58-W73 AromaticContact NE2-CG 3.76Å; H58-C76 VanDerWaalsContact CE1-SG 3.58Å; H58-C76 PolarHBondContact NE2-SG 2.83Å; H58-C76 VanDerWaalsContact NE2-SG 3.35Å; H58-C81 PolarHBondContact NE2-SG 3.35Å |
| 59 | G | 96.4 | Very high | 94.7 | Very high | 70 Ų | 70 | 80.2 Ų | 80.2 | 72% | 0.722 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -5.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | C55 R56 | C55-G59 PolarHBondContact O-N 3.45Å; R56-G59 PolarHBondContact O-N 2.85Å |
| 60 | V | 96.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 82.5 Ų | 82.5 | 38% | 0.376 | 43% | 0.433 | S | S | . | . | trans | -101.7 | 133.9 | -178.9 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | C55 R56 H58 W73 | C55-V60 CarbonylContact C-O 3.49Å; C55-V60 HydrophobicContact CB-CB 4.49Å; C55-V60 WeakPolarHBondContact CB-O 3.44Å; C55-V60 PolarHBondContact O-N 3.08Å; C55-V60 VanDerWaalsContact O-N 3.14Å; C55-V60 VanDerWaalsContact O-O 3.05Å; R56-V60 PolarHBondContact N-O 3.02Å; H58-V60 VanDerWaalsContact C-N 3.34Å; H58-V60 PolarHBondContact O-N 2.95Å; V60-W73 HydrophobicContact CB-CH2 3.74Å; V60-W73 HydrophobicContact CB-CZ3 3.95Å; V60-W73 HydrophobicContact CG1-CH2 4.41Å; V60-W73 HydrophobicContact CG1-CZ3 4.41Å; V60-W73 HydrophobicContact CG2-CH2 3.67Å; V60-W73 HydrophobicContact CG2-CZ3 4.39Å | ||
| 61 | V | 94.6 | Very high | 95.4 | Very high | 102 Ų | 102 | 79 Ų | 79 | 62% | 0.618 | 41% | 0.41 | S | S | * | . | trans | -96.1 | 118.5 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110 | K51 | K51-V61 HydrophobicContact CD-CG1 3.59Å; K51-V61 HydrophobicContact CG-CG1 4.39Å | ||
| 62 | S | 94.8 | Very high | 95.5 | Very high | 25 Ų | 25 | 83.2 Ų | 83.2 | 18% | 0.175 | 42% | 0.422 | C | S | . | . | trans | -126.1 | 139.1 | 172.3 | -47.5 | 0 | 0 | 0 | 0 | 109.7 | K51 C52 | K51-S62 CarbonylContact C-O 3.57Å; K51-S62 WeakPolarHBondContact CA-O 3.49Å; C52-S62 PolarHBondContact N-O 2.99Å | ||
| 63 | A | 94.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 85.1 Ų | 85.1 | 49% | 0.488 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 143.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | H67 | A63-H67 WeakPolarHBondContact O-CB 3.39Å |
| 64 | L | 94.1 | Very high | 95.5 | Very high | 77 Ų | 77 | 89.4 Ų | 89.4 | 40% | 0.403 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -79.1 | -25.7 | -176.1 | -175.8 | 59.6 | 0 | 0 | 0 | 112.9 | P50 C52 G66 H67 | P50-L64 HydrophobicContact CB-CB 4.2Å; P50-L64 HydrophobicContact CB-CD2 4.1Å; P50-L64 HydrophobicContact CG-CB 4.29Å; P50-L64 HydrophobicContact CG-CD2 4.49Å; P50-L64 VanDerWaalsContact O-CB 3.23Å; P50-L64 WeakPolarHBondContact O-CB 3.32Å; P50-L64 PolarHBondContact O-N 3.39Å; C52-L64 HydrophobicContact CB-CD1 4.35Å; L64-G66 PolarHBondContact O-N 3.44Å; L64-H67 PolarHBondContact O-N 3.21Å |
| 65 | K | 92.6 | Very high | 95.5 | Very high | 198 Ų | 198 | 92.2 Ų | 92.2 | 86% | 0.861 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.2 | 178.3 | -174 | 70.3 | 174.1 | -176.6 | 0 | 109.6 | H67 | K65-H67 PolarHBondContact O-N 2.99Š|
| 66 | G | 92.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 93.7 Ų | 93.7 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -24.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L64 K68 F70 | L64-G66 PolarHBondContact O-N 3.44Å; G66-K68 PolarHBondContact O-N 3.45Å; G66-F70 WeakPolarHBondContact O-CD2 3.43Å |
| 67 | H | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 92.1 Ų | 92.1 | 15% | 0.148 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.4 | -167.5 | -175 | 81 | 0 | 0 | 0 | 115.8 | C55 A63 L64 K65 R69 F70 C71 | C55-H67 PolarHBondContact SG-NE2 3.18Å; A63-H67 WeakPolarHBondContact O-CB 3.39Å; L64-H67 PolarHBondContact O-N 3.21Å; K65-H67 PolarHBondContact O-N 2.99Å; H67-R69 VanDerWaalsContact C-N 3.31Å; H67-R69 PolarHBondContact O-N 3.39Å; H67-F70 PolarHBondContact O-N 2.85Å; H67-C71 WeakPolarHBondContact NE2-CA 3.35Å; H67-C71 WeakPolarHBondContact NE2-CB 3.49Å; H67-C71 PolarHBondContact NE2-SG 2.89Å; H67-C71 VanDerWaalsContact NE2-SG 3.39Å; H67-C71 WeakPolarHBondContact O-CB 3.45Å; H67-C71 PolarHBondContact O-N 3.29Å; H67-C71 VanDerWaalsContact O-N 3.07Å |
| 68 | K | 93.2 | Very high | 95.6 | Very high | 171 Ų | 171 | 93 Ų | 93 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -42.9 | -177 | -176.5 | 179 | -174.5 | -76.5 | 0 | 113.4 | G66 | G66-K68 PolarHBondContact O-N 3.45Š|
| 69 | R | 93.9 | Very high | 95.6 | Very high | 180 Ų | 180 | 93.6 Ų | 93.6 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -41.1 | -178.3 | -65.8 | -169.1 | -63 | -105.7 | 3.8 | 112.3 | H67 C71 R74 | H67-R69 VanDerWaalsContact C-N 3.31Å; H67-R69 PolarHBondContact O-N 3.39Å; R69-C71 VanDerWaalsContact C-N 3.31Å; R69-C71 PolarHBondContact O-N 3.36Å; R69-R74 PolarHBondContact O-NH1 3.15Å |
| 70 | F | 95.6 | Very high | 95.7 | Very high | 150 Ų | 150 | 96 Ų | 96 | 66% | 0.658 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -88.9 | 15.2 | -175.7 | -48.4 | -69.9 | 0 | 0 | 0 | 114.1 | G66 H67 R72 | G66-F70 WeakPolarHBondContact O-CD2 3.43Å; H67-F70 PolarHBondContact O-N 2.85Å; F70-R72 PolarHBondContact O-N 3.47Å |
| 71 | C | 96.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 93.1 Ų | 93.1 | 7% | 0.068 | 47% | 0.472 | C | S | . | . | trans | -75.7 | 116.4 | -179.6 | -174 | 0 | 0 | 0 | 0 | 110.7 | H67 R69 W73 R74 | H67-C71 WeakPolarHBondContact NE2-CA 3.35Å; H67-C71 WeakPolarHBondContact NE2-CB 3.49Å; H67-C71 PolarHBondContact NE2-SG 2.89Å; H67-C71 VanDerWaalsContact NE2-SG 3.39Å; H67-C71 WeakPolarHBondContact O-CB 3.45Å; H67-C71 PolarHBondContact O-N 3.29Å; H67-C71 VanDerWaalsContact O-N 3.07Å; R69-C71 VanDerWaalsContact C-N 3.31Å; R69-C71 PolarHBondContact O-N 3.36Å; C71-W73 PolarHBondContact O-N 3.27Å; C71-R74 HydrophobicContact CB-CB 4.07Å; C71-R74 VanDerWaalsContact O-CB 3.27Å; C71-R74 WeakPolarHBondContact O-CB 3.43Å; C71-R74 PolarHBondContact O-N 2.92Å | ||
| 72 | R | 97.1 | Very high | 95.9 | Very high | 212 Ų | 212 | 91.9 Ų | 91.9 | 80% | 0.8 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.8 | 176.4 | -66 | 175.4 | 67.4 | -173.1 | 1.8 | 113.9 | F70 | F70-R72 PolarHBondContact O-N 3.47Š|
| 73 | W | 97.4 | Very high | 96.1 | Very high | 50 Ų | 50 | 96.7 Ų | 96.7 | 19% | 0.189 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 22.3 | 179.8 | -54.8 | -82 | 0 | 0 | 0 | 113.2 | R54 C55 H58 V60 C71 D75 C76 | R54-W73 HydrophobicContact CB-CB 4.44Å; R54-W73 WeakPolarHBondContact CD-O 3.36Å; R54-W73 PolarHBondContact NH1-O 3.05Å; R54-W73 VanDerWaalsContact NH1-O 3.11Å; C55-W73 HydrophobicContact CB-CE3 3.97Å; C55-W73 HydrophobicContact CB-CZ3 3.8Å; C55-W73 VanDerWaalsContact SG-CE3 3.53Å; H58-W73 HydrophobicContact CB-CD2 3.91Å; H58-W73 VanDerWaalsContact CB-CE2 3.49Å; H58-W73 HydrophobicContact CB-CE3 4.44Å; H58-W73 HydrophobicContact CB-CG 4.37Å; H58-W73 HydrophobicContact CB-CH2 4.22Å; H58-W73 HydrophobicContact CB-CZ2 3.66Å; H58-W73 AromaticContact CD2-CD1 3.31Å; H58-W73 AromaticContact CD2-CD2 3.71Å; H58-W73 AromaticContact CD2-CE2 3.95Å; H58-W73 AromaticContact CD2-CG 3.29Å; H58-W73 AromaticContact CD2-NE1 3.71Å; H58-W73 AromaticContact CE1-CD1 3.78Å; H58-W73 AromaticContact CG-CD1 3.57Å; H58-W73 AromaticContact CG-CD2 3.92Å; H58-W73 AromaticContact CG-CE2 3.69Å; H58-W73 AromaticContact CG-CG 3.85Å; H58-W73 AromaticContact CG-NE1 3.46Å; H58-W73 AromaticContact ND1-CD1 3.85Å; H58-W73 AromaticContact ND1-NE1 3.75Å; H58-W73 AromaticContact NE2-CD1 3.49Å; H58-W73 AromaticContact NE2-CG 3.76Å; V60-W73 HydrophobicContact CB-CH2 3.74Å; V60-W73 HydrophobicContact CB-CZ3 3.95Å; V60-W73 HydrophobicContact CG1-CH2 4.41Å; V60-W73 HydrophobicContact CG1-CZ3 4.41Å; V60-W73 HydrophobicContact CG2-CH2 3.67Å; V60-W73 HydrophobicContact CG2-CZ3 4.39Å; C71-W73 PolarHBondContact O-N 3.27Å; W73-D75 PolarHBondContact O-N 2.98Å; W73-C76 HydrophobicContact CB-CB 3.89Å; W73-C76 WeakPolarHBondContact O-CB 3.32Å; W73-C76 PolarHBondContact O-N 3.49Å; W73-C76 VanDerWaalsContact O-N 3.16Å |
| 74 | R | 96.3 | Very high | 96.2 | Very high | 120 Ų | 120 | 95.2 Ų | 95.2 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -45.2 | 178.8 | -174.2 | -176.5 | 60.5 | -138.6 | -2.7 | 111.9 | R54 R69 C71 | R54-R74 PolarHBondContact NE-O 2.86Å; R54-R74 PolarHBondContact NH1-O 3.17Å; R69-R74 PolarHBondContact O-NH1 3.15Å; C71-R74 HydrophobicContact CB-CB 4.07Å; C71-R74 VanDerWaalsContact O-CB 3.27Å; C71-R74 WeakPolarHBondContact O-CB 3.43Å; C71-R74 PolarHBondContact O-N 2.92Å |
| 75 | D | 96.2 | Very high | 96.3 | Very high | 113 Ų | 113 | 93.3 Ų | 93.3 | 60% | 0.604 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 16.4 | -172.4 | -45.9 | -47 | 0 | 0 | 0 | 112 | W73 | W73-D75 PolarHBondContact O-N 2.98Š|
| 76 | C | 97.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 87.8 Ų | 87.8 | 22% | 0.216 | 44% | 0.444 | C | S | . | . | trans | -69.3 | 133.4 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 112 | R54 H58 W73 C78 C81 | R54-C76 PolarHBondContact NH1-O 2.77Å; H58-C76 VanDerWaalsContact CE1-SG 3.58Å; H58-C76 PolarHBondContact NE2-SG 2.83Å; H58-C76 VanDerWaalsContact NE2-SG 3.35Å; W73-C76 HydrophobicContact CB-CB 3.89Å; W73-C76 WeakPolarHBondContact O-CB 3.32Å; W73-C76 PolarHBondContact O-N 3.49Å; W73-C76 VanDerWaalsContact O-N 3.16Å; C76-C78 VanDerWaalsContact SG-SG 3.66Å; C76-C81 HydrophobicContact CB-CB 4.48Å; C76-C81 WeakPolarHBondContact O-CB 3.37Å | ||
| 77 | V | 97.4 | Very high | 96.8 | Very high | 124 Ų | 124 | 93 Ų | 93 | 75% | 0.752 | 45% | 0.446 | S | S | * | . | trans | -110.6 | 14.8 | -177.2 | -62.5 | 0 | 0 | 0 | 0 | 114.3 | T82 | V77-T82 PolarHBondContact O-OG1 2.7Å; V77-T82 VanDerWaalsContact O-OG1 3.14Å | ||
| 78 | C | 98.2 | Very high | 96.9 | Very high | 45 Ų | 45 | 96.8 Ų | 96.8 | 30% | 0.304 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -63.2 | 152.5 | 173.5 | 76.6 | 0 | 0 | 0 | 0 | 111 | C76 K80 C81 T82 | C76-C78 VanDerWaalsContact SG-SG 3.66Å; C78-K80 VanDerWaalsContact C-N 3.26Å; C78-K80 PolarHBondContact O-N 3.06Å; C78-C81 WeakPolarHBondContact O-CA 3.37Å; C78-C81 PolarHBondContact O-N 2.82Å; C78-T82 PolarHBondContact O-N 3.34Å; C78-T82 PolarHBondContact O-OG1 3.07Å |
| 79 | A | 97.8 | Very high | 97.1 | Very high | 76 Ų | 76 | 95.9 Ų | 95.9 | 63% | 0.628 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -47.4 | -44.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | C81 T82 L83 | A79-C81 VanDerWaalsContact C-N 3.32Å; A79-C81 PolarHBondContact O-N 3.12Å; A79-T82 PolarHBondContact O-N 3.46Å; A79-L83 VanDerWaalsContact O-CG 3.3Å; A79-L83 WeakPolarHBondContact O-CG 3.49Å; A79-L83 PolarHBondContact O-N 3.48Å |
| 80 | K | 97.8 | Very high | 97.3 | Very high | 122 Ų | 122 | 90.9 Ų | 90.9 | 53% | 0.53 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 176.7 | -71.9 | -175.2 | -77 | 179.1 | 0 | 113.4 | N57 C78 I84 | N57-K80 HydrophobicContact CB-CB 4.1Å; N57-K80 PolarHBondContact ND2-O 2.91Å; N57-K80 PolarHBondContact O-NZ 3.29Å; C78-K80 VanDerWaalsContact C-N 3.26Å; C78-K80 PolarHBondContact O-N 3.06Å; K80-I84 WeakPolarHBondContact O-CG1 3.45Å |
| 81 | C | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -81.6 | -36.9 | 179.5 | -73.7 | 0 | 0 | 0 | 0 | 112 | N57 H58 C76 C78 A79 I84 A85 | N57-C81 PolarHBondContact ND2-SG 3.47Å; H58-C81 PolarHBondContact NE2-SG 3.35Å; C76-C81 HydrophobicContact CB-CB 4.48Å; C76-C81 WeakPolarHBondContact O-CB 3.37Å; C78-C81 WeakPolarHBondContact O-CA 3.37Å; C78-C81 PolarHBondContact O-N 2.82Å; A79-C81 VanDerWaalsContact C-N 3.32Å; A79-C81 PolarHBondContact O-N 3.12Å; C81-I84 PolarHBondContact O-N 2.66Å; C81-A85 PolarHBondContact O-N 3.05Å |
| 82 | T | 98.1 | Very high | 97.5 | Very high | 76 Ų | 76 | 90.5 Ų | 90.5 | 47% | 0.466 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 173.3 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | V77 C78 A79 I84 A85 E86 | V77-T82 PolarHBondContact O-OG1 2.7Å; V77-T82 VanDerWaalsContact O-OG1 3.14Å; C78-T82 PolarHBondContact O-N 3.34Å; C78-T82 PolarHBondContact O-OG1 3.07Å; A79-T82 PolarHBondContact O-N 3.46Å; T82-I84 VanDerWaalsContact C-N 3.27Å; T82-I84 PolarHBondContact O-N 3.37Å; T82-A85 PolarHBondContact O-N 3.5Å; T82-A85 VanDerWaalsContact O-N 3.16Å; T82-E86 PolarHBondContact O-N 3.01Å |
| 83 | L | 97.5 | Very high | 97.6 | Very high | 127 Ų | 127 | 83.1 Ų | 83.1 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.4 | -34 | 174.6 | -72.2 | 170.8 | 0 | 0 | 0 | 113.3 | A79 R87 | A79-L83 VanDerWaalsContact O-CG 3.3Å; A79-L83 WeakPolarHBondContact O-CG 3.49Å; A79-L83 PolarHBondContact O-N 3.48Å; L83-R87 WeakPolarHBondContact O-CB 3.49Å; L83-R87 PolarHBondContact O-N 3.49Å |
| 84 | I | 96.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 86.1 Ų | 86.1 | 14% | 0.138 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -74.2 | -39 | 176.4 | -68.2 | -175.5 | 0 | 0 | 0 | 111.5 | A53 N57 K80 C81 T82 E86 R87 Q88 | A53-I84 HydrophobicContact CB-CD1 3.84Å; A53-I84 HydrophobicContact CB-CG2 4.27Å; N57-I84 WeakPolarHBondContact ND2-CD1 3.33Å; K80-I84 WeakPolarHBondContact O-CG1 3.45Å; C81-I84 PolarHBondContact O-N 2.66Å; T82-I84 VanDerWaalsContact C-N 3.27Å; T82-I84 PolarHBondContact O-N 3.37Å; I84-E86 VanDerWaalsContact C-N 3.33Å; I84-R87 PolarHBondContact O-N 3.26Å; I84-Q88 HydrophobicContact CG2-CG 4.4Å; I84-Q88 WeakPolarHBondContact O-CB 3.32Å; I84-Q88 VanDerWaalsContact O-CG 3.26Å; I84-Q88 WeakPolarHBondContact O-CG 3.38Å; I84-Q88 PolarHBondContact O-N 2.9Å |
| 85 | A | 97 | Very high | 97.8 | Very high | 38 Ų | 38 | 83.7 Ų | 83.7 | 31% | 0.314 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C81 T82 Q88 R89 | C81-A85 PolarHBondContact O-N 3.05Å; T82-A85 PolarHBondContact O-N 3.5Å; T82-A85 VanDerWaalsContact O-N 3.16Å; A85-Q88 WeakPolarHBondContact O-CB 3.28Å; A85-Q88 PolarHBondContact O-N 3.34Å; A85-R89 PolarHBondContact O-N 3.12Å |
| 86 | E | 97.8 | Very high | 97.9 | Very high | 82 Ų | 82 | 80.9 Ų | 80.9 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.3 | -179.1 | 53.8 | -159.3 | 0 | 0 | 112.2 | T82 I84 Q88 R89 V90 | T82-E86 PolarHBondContact O-N 3.01Å; I84-E86 VanDerWaalsContact C-N 3.33Å; E86-Q88 VanDerWaalsContact C-N 3.27Å; E86-Q88 PolarHBondContact O-N 3.12Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.11Å; E86-R89 VanDerWaalsContact O-N 3.14Å; E86-R89 IonicContact OE1-CZ 2.68Å; E86-R89 IonicContact OE1-NE 3.9Å; E86-R89 PolarHBondContact OE1-NE 3.05Å; E86-R89 IonicContact OE1-NH2 3.48Å; E86-R89 PolarHBondContact OE1-NH2 3.4Å; E86-R89 IonicContact OE2-CZ 3.63Å; E86-R89 IonicContact OE2-NE 2.77Å; E86-R89 PolarHBondContact OE2-NE 2.93Å; E86-R89 IonicContact OE2-NH2 3.41Å; E86-V90 PolarHBondContact O-N 3.01Å |
| 87 | R | 98 | Very high | 97.9 | Very high | 166 Ų | 166 | 83.7 Ų | 83.7 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.8 | -39.3 | 172.9 | -165.9 | -175 | -149.2 | -75.1 | -1.5 | 112.3 | L83 I84 M91 | L83-R87 WeakPolarHBondContact O-CB 3.49Å; L83-R87 PolarHBondContact O-N 3.49Å; I84-R87 PolarHBondContact O-N 3.26Å; R87-M91 HydrophobicContact CG-SD 4.39Å; R87-M91 PolarHBondContact NH1-SD 2.83Å; R87-M91 WeakPolarHBondContact O-CB 3.41Å; R87-M91 VanDerWaalsContact O-CG 3.28Å; R87-M91 WeakPolarHBondContact O-CG 3.3Å; R87-M91 PolarHBondContact O-N 2.95Å |
| 88 | Q | 97 | Very high | 98 | Very high | 111 Ų | 111 | 85.9 Ų | 85.9 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 176.8 | -76.4 | 173.9 | -11.3 | 0 | 0 | 111.6 | I84 A85 E86 M91 A92 | I84-Q88 HydrophobicContact CG2-CG 4.4Å; I84-Q88 WeakPolarHBondContact O-CB 3.32Å; I84-Q88 VanDerWaalsContact O-CG 3.26Å; I84-Q88 WeakPolarHBondContact O-CG 3.38Å; I84-Q88 PolarHBondContact O-N 2.9Å; A85-Q88 WeakPolarHBondContact O-CB 3.28Å; A85-Q88 PolarHBondContact O-N 3.34Å; E86-Q88 VanDerWaalsContact C-N 3.27Å; E86-Q88 PolarHBondContact O-N 3.12Å; Q88-M91 PolarHBondContact O-N 2.84Å; Q88-A92 VanDerWaalsContact O-CB 3.29Å; Q88-A92 WeakPolarHBondContact O-CB 3.41Å; Q88-A92 PolarHBondContact O-N 3.32Å |
| 89 | R | 98.1 | Very high | 98 | Very high | 152 Ų | 152 | 92.5 Ų | 92.5 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.1 | -49.6 | 174.5 | -167.8 | -171.5 | 70.6 | 80 | 1.1 | 111.6 | A85 E86 A92 A93 | A85-R89 PolarHBondContact O-N 3.12Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.11Å; E86-R89 VanDerWaalsContact O-N 3.14Å; E86-R89 IonicContact OE1-CZ 2.68Å; E86-R89 IonicContact OE1-NE 3.9Å; E86-R89 PolarHBondContact OE1-NE 3.05Å; E86-R89 IonicContact OE1-NH2 3.48Å; E86-R89 PolarHBondContact OE1-NH2 3.4Å; E86-R89 IonicContact OE2-CZ 3.63Å; E86-R89 IonicContact OE2-NE 2.77Å; E86-R89 PolarHBondContact OE2-NE 2.93Å; E86-R89 IonicContact OE2-NH2 3.41Å; R89-A92 PolarHBondContact O-N 2.73Å; R89-A93 PolarHBondContact O-N 2.74Å |
| 90 | V | 98.1 | Very high | 98 | Very high | 76 Ų | 76 | 93.7 Ų | 93.7 | 46% | 0.461 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | E86 A92 A93 Q94 | E86-V90 PolarHBondContact O-N 3.01Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.6Å; V90-A93 PolarHBondContact O-N 3.14Å; V90-Q94 PolarHBondContact O-N 3.05Å |
| 91 | M | 98.4 | Very high | 98 | Very high | 90 Ų | 90 | 93.1 Ų | 93.1 | 44% | 0.443 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.2 | -74.8 | -176.9 | 70.8 | 0 | 0 | 112.7 | R87 Q88 Q94 V95 | R87-M91 HydrophobicContact CG-SD 4.39Å; R87-M91 PolarHBondContact NH1-SD 2.83Å; R87-M91 WeakPolarHBondContact O-CB 3.41Å; R87-M91 VanDerWaalsContact O-CG 3.28Å; R87-M91 WeakPolarHBondContact O-CG 3.3Å; R87-M91 PolarHBondContact O-N 2.95Å; Q88-M91 PolarHBondContact O-N 2.84Å; M91-Q94 PolarHBondContact O-N 3.03Å; M91-V95 WeakPolarHBondContact O-CB 3.49Å; M91-V95 VanDerWaalsContact O-CG2 3.27Å; M91-V95 WeakPolarHBondContact O-CG2 3.46Å; M91-V95 PolarHBondContact O-N 3.07Å |
| 92 | A | 98.3 | Very high | 98 | Very high | 61 Ų | 61 | 95.7 Ų | 95.7 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q88 R89 V90 Q94 V95 A96 | Q88-A92 VanDerWaalsContact O-CB 3.29Å; Q88-A92 WeakPolarHBondContact O-CB 3.41Å; Q88-A92 PolarHBondContact O-N 3.32Å; R89-A92 PolarHBondContact O-N 2.73Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.6Å; A92-Q94 PolarHBondContact O-N 3.26Å; A92-V95 PolarHBondContact O-N 3.35Å; A92-A96 WeakPolarHBondContact O-CB 3.35Å; A92-A96 PolarHBondContact O-N 2.73Å |
| 93 | A | 98.2 | Very high | 97.9 | Very high | 57 Ų | 57 | 97.7 Ų | 97.7 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R89 V90 V95 A96 L97 | R89-A93 PolarHBondContact O-N 2.74Å; V90-A93 PolarHBondContact O-N 3.14Å; A93-V95 PolarHBondContact O-N 2.89Å; A93-A96 PolarHBondContact O-N 2.78Å; A93-L97 WeakPolarHBondContact O-CB 3.38Å; A93-L97 PolarHBondContact O-N 2.8Å |
| 94 | Q | 98.6 | Very high | 97.8 | Very high | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 177.6 | -168.1 | -178.3 | 18.2 | 0 | 0 | 112.9 | V90 M91 A92 R98 | V90-Q94 PolarHBondContact O-N 3.05Å; M91-Q94 PolarHBondContact O-N 3.03Å; A92-Q94 PolarHBondContact O-N 3.26Å; Q94-R98 PolarHBondContact O-N 3.37Å; Q94-R98 VanDerWaalsContact O-N 3.14Å |
| 95 | V | 98.6 | Very high | 97.8 | Very high | 68 Ų | 68 | 99.8 Ų | 99.8 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 175.3 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | M91 A92 A93 R99 | M91-V95 WeakPolarHBondContact O-CB 3.49Å; M91-V95 VanDerWaalsContact O-CG2 3.27Å; M91-V95 WeakPolarHBondContact O-CG2 3.46Å; M91-V95 PolarHBondContact O-N 3.07Å; A92-V95 PolarHBondContact O-N 3.35Å; A93-V95 PolarHBondContact O-N 2.89Å; V95-R99 WeakPolarHBondContact O-CB 3.48Å; V95-R99 VanDerWaalsContact O-CG 3.28Å; V95-R99 WeakPolarHBondContact O-CG 3.4Å; V95-R99 PolarHBondContact O-N 3.14Å |
| 96 | A | 98.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 102 Ų | 102 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -51 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A92 A93 R98 R99 Q100 | A92-A96 WeakPolarHBondContact O-CB 3.35Å; A92-A96 PolarHBondContact O-N 2.73Å; A93-A96 PolarHBondContact O-N 2.78Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.79Å; A96-R99 WeakPolarHBondContact O-CB 3.27Å; A96-R99 PolarHBondContact O-N 3.27Å; A96-R99 VanDerWaalsContact O-N 3.08Å; A96-Q100 PolarHBondContact O-N 2.98Å |
| 97 | L | 98.5 | Very high | 97.6 | Very high | 90 Ų | 90 | 102.1 Ų | 102.1 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.2 | -44.9 | 177.4 | 179.4 | 63.1 | 0 | 0 | 0 | 112.3 | A93 R99 Q100 Q101 | A93-L97 WeakPolarHBondContact O-CB 3.38Å; A93-L97 PolarHBondContact O-N 2.8Å; L97-R99 VanDerWaalsContact C-N 3.34Å; L97-R99 PolarHBondContact O-N 2.98Å; L97-Q100 PolarHBondContact O-N 3.16Å; L97-Q101 HydrophobicContact CD1-CG 4.47Å; L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 3.28Å |
| 98 | R | 98.4 | Very high | 97.4 | Very high | 171 Ų | 171 | 97 Ų | 97 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.6 | -36.4 | 177.8 | -170.5 | -175.2 | -60.7 | -163.6 | -1.3 | 112.6 | Q94 A96 A102 | Q94-R98 PolarHBondContact O-N 3.37Å; Q94-R98 VanDerWaalsContact O-N 3.14Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.79Å; R98-A102 WeakPolarHBondContact O-CB 3.44Å; R98-A102 PolarHBondContact O-N 3.33Å |
| 99 | R | 98.4 | Very high | 97.1 | Very high | 183 Ų | 183 | 98.2 Ų | 98.2 | 69% | 0.691 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.3 | -41.1 | 176 | -74.7 | 171.9 | 179.2 | -170.6 | -1.4 | 111.3 | V95 A96 L97 A102 Q103 | V95-R99 WeakPolarHBondContact O-CB 3.48Å; V95-R99 VanDerWaalsContact O-CG 3.28Å; V95-R99 WeakPolarHBondContact O-CG 3.4Å; V95-R99 PolarHBondContact O-N 3.14Å; A96-R99 WeakPolarHBondContact O-CB 3.27Å; A96-R99 PolarHBondContact O-N 3.27Å; A96-R99 VanDerWaalsContact O-N 3.08Å; L97-R99 VanDerWaalsContact C-N 3.34Å; L97-R99 PolarHBondContact O-N 2.98Å; R99-A102 PolarHBondContact O-N 2.68Å; R99-Q103 WeakPolarHBondContact O-CB 3.24Å; R99-Q103 PolarHBondContact O-N 2.94Å |
| 100 | Q | 98.2 | Very high | 96.8 | Very high | 102 Ų | 102 | 95.5 Ų | 95.5 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -51.6 | 173 | 178.1 | 179.7 | -7.8 | 0 | 0 | 110.7 | A96 L97 A102 Q103 E104 | A96-Q100 PolarHBondContact O-N 2.98Å; L97-Q100 PolarHBondContact O-N 3.16Å; Q100-A102 VanDerWaalsContact C-N 3.3Å; Q100-A102 PolarHBondContact O-N 3.42Å; Q100-Q103 CarbonylContact O-C 3.6Å; Q100-Q103 WeakPolarHBondContact O-CA 3.44Å; Q100-Q103 WeakPolarHBondContact O-CB 3.31Å; Q100-Q103 PolarHBondContact O-N 2.76Å; Q100-E104 HydrophobicContact CG-CG 4.27Å; Q100-E104 VanDerWaalsContact CG-OE1 3.23Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.45Å; Q100-E104 PolarHBondContact NE2-OE1 2.83Å; Q100-E104 WeakPolarHBondContact O-CB 3.28Å; Q100-E104 WeakPolarHBondContact O-CG 3.38Å; Q100-E104 PolarHBondContact O-N 3.32Å |
| 101 | Q | 98.2 | Very high | 96.4 | Very high | 110 Ų | 110 | 97.5 Ų | 97.5 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.6 | -40.7 | 177 | -72.7 | 174.2 | -28.4 | 0 | 0 | 112.7 | L97 E105 | L97-Q101 HydrophobicContact CD1-CG 4.47Å; L97-Q101 WeakPolarHBondContact O-CG 3.39Å; L97-Q101 PolarHBondContact O-N 3.28Å; Q101-E105 VanDerWaalsContact O-CB 3.3Å; Q101-E105 WeakPolarHBondContact O-CB 3.3Å; Q101-E105 PolarHBondContact O-N 2.94Å |
| 102 | A | 96.9 | Very high | 95.8 | Very high | 54 Ų | 54 | 102.8 Ų | 102.8 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.7 | -29.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R98 R99 Q100 N106 | R98-A102 WeakPolarHBondContact O-CB 3.44Å; R98-A102 PolarHBondContact O-N 3.33Å; R99-A102 PolarHBondContact O-N 2.68Å; Q100-A102 VanDerWaalsContact C-N 3.3Å; Q100-A102 PolarHBondContact O-N 3.42Å; A102-N106 WeakPolarHBondContact O-CB 3.4Å; A102-N106 PolarHBondContact O-N 3.46Å; A102-N106 VanDerWaalsContact O-N 3.08Å |
| 103 | Q | 97.1 | Very high | 95.2 | Very high | 117 Ų | 117 | 106.5 Ų | 106.5 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.4 | -49.2 | 173.9 | 178.3 | 178.8 | -20.8 | 0 | 0 | 110.7 | R99 Q100 E105 N106 E107 | R99-Q103 WeakPolarHBondContact O-CB 3.24Å; R99-Q103 PolarHBondContact O-N 2.94Å; Q100-Q103 CarbonylContact O-C 3.6Å; Q100-Q103 WeakPolarHBondContact O-CA 3.44Å; Q100-Q103 WeakPolarHBondContact O-CB 3.31Å; Q100-Q103 PolarHBondContact O-N 2.76Å; Q103-E105 VanDerWaalsContact C-N 3.27Å; Q103-E105 PolarHBondContact O-N 3.35Å; Q103-N106 CarbonylContact O-C 3.44Å; Q103-N106 WeakPolarHBondContact O-CA 3.26Å; Q103-N106 WeakPolarHBondContact O-CB 3.41Å; Q103-N106 PolarHBondContact O-N 3.46Å; Q103-E107 HydrophobicContact CG-CG 4.44Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.29Å; Q103-E107 PolarHBondContact NE2-OE1 2.92Å; Q103-E107 WeakPolarHBondContact O-CG 3.35Å; Q103-E107 PolarHBondContact O-N 2.86Å |
| 104 | E | 95.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 110.3 Ų | 110.3 | 45% | 0.449 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57 | -40 | 173.9 | -70.9 | 169.3 | 177.7 | 0 | 0 | 111.3 | Q100 A108 | Q100-E104 HydrophobicContact CG-CG 4.27Å; Q100-E104 VanDerWaalsContact CG-OE1 3.23Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.45Å; Q100-E104 PolarHBondContact NE2-OE1 2.83Å; Q100-E104 WeakPolarHBondContact O-CB 3.28Å; Q100-E104 WeakPolarHBondContact O-CG 3.38Å; Q100-E104 PolarHBondContact O-N 3.32Å; E104-A108 VanDerWaalsContact O-CB 3.22Å; E104-A108 WeakPolarHBondContact O-CB 3.39Å; E104-A108 PolarHBondContact O-N 2.91Å |
| 105 | E | 95.5 | Very high | 92.9 | Very high | 102 Ų | 102 | 114.1 Ų | 114.1 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 173.5 | -160.6 | -157.1 | 150.2 | 0 | 0 | 112 | Q101 Q103 R109 | Q101-E105 VanDerWaalsContact O-CB 3.3Å; Q101-E105 WeakPolarHBondContact O-CB 3.3Å; Q101-E105 PolarHBondContact O-N 2.94Å; Q103-E105 VanDerWaalsContact C-N 3.27Å; Q103-E105 PolarHBondContact O-N 3.35Å; E105-R109 WeakPolarHBondContact O-CB 3.38Å; E105-R109 VanDerWaalsContact O-CG 3.31Å; E105-R109 WeakPolarHBondContact O-CG 3.47Å; E105-R109 PolarHBondContact O-N 3.06Å; E105-R109 IonicContact OE1-CZ 2.67Å; E105-R109 VanDerWaalsContact OE1-CZ 3.27Å; E105-R109 IonicContact OE1-NE 2.71Å; E105-R109 PolarHBondContact OE1-NE 3.38Å; E105-R109 IonicContact OE1-NH2 3.07Å; E105-R109 PolarHBondContact OE1-NH2 3.35Å; E105-R109 IonicContact OE2-NH2 3.27Å; E105-R109 PolarHBondContact OE2-NH2 3.01Å |
| 106 | N | 95.9 | Very high | 91.3 | Very high | 84 Ų | 84 | 115.7 Ų | 115.7 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -44.4 | 176.5 | -173.6 | 81.8 | 0 | 0 | 0 | 111.9 | A102 Q103 R109 E110 | A102-N106 WeakPolarHBondContact O-CB 3.4Å; A102-N106 PolarHBondContact O-N 3.46Å; A102-N106 VanDerWaalsContact O-N 3.08Å; Q103-N106 CarbonylContact O-C 3.44Å; Q103-N106 WeakPolarHBondContact O-CA 3.26Å; Q103-N106 WeakPolarHBondContact O-CB 3.41Å; Q103-N106 PolarHBondContact O-N 3.46Å; N106-R109 CarbonylContact O-C 3.41Å; N106-R109 PolarHBondContact O-N 3Å; N106-E110 WeakPolarHBondContact O-CB 3.27Å; N106-E110 PolarHBondContact O-N 3.35Å |
| 107 | E | 95 | Very high | 89.7 | Confident | 85 Ų | 85 | 116.1 Ų | 116.1 | 40% | 0.397 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.3 | -41.9 | 175.4 | -70.9 | 171.1 | -166.8 | 0 | 0 | 111 | Q103 R109 E110 I111 | Q103-E107 HydrophobicContact CG-CG 4.44Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.29Å; Q103-E107 PolarHBondContact NE2-OE1 2.92Å; Q103-E107 WeakPolarHBondContact O-CG 3.35Å; Q103-E107 PolarHBondContact O-N 2.86Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 3.32Å; E107-E110 PolarHBondContact O-N 3.03Å; E107-I111 WeakPolarHBondContact O-CB 3.4Å; E107-I111 WeakPolarHBondContact O-CD1 3.38Å; E107-I111 VanDerWaalsContact O-CG1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.43Å; E107-I111 PolarHBondContact O-N 3.18Å |
| 108 | A | 93.8 | Very high | 87.7 | Confident | 59 Ų | 59 | 118.1 Ų | 118.1 | 49% | 0.488 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -35.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E104 R112 | E104-A108 VanDerWaalsContact O-CB 3.22Å; E104-A108 WeakPolarHBondContact O-CB 3.39Å; E104-A108 PolarHBondContact O-N 2.91Å; A108-R112 WeakPolarHBondContact O-CB 3.47Å; A108-R112 PolarHBondContact O-N 3.41Å |
| 109 | R | 91.9 | Very high | 85.3 | Confident | 136 Ų | 136 | 113.4 Ų | 113.4 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.5 | -39.4 | 171.1 | -73.5 | -169.2 | -128.2 | 148.7 | -3 | 111.8 | E105 N106 E107 R112 L113 | E105-R109 WeakPolarHBondContact O-CB 3.38Å; E105-R109 VanDerWaalsContact O-CG 3.31Å; E105-R109 WeakPolarHBondContact O-CG 3.47Å; E105-R109 PolarHBondContact O-N 3.06Å; E105-R109 IonicContact OE1-CZ 2.67Å; E105-R109 VanDerWaalsContact OE1-CZ 3.27Å; E105-R109 IonicContact OE1-NE 2.71Å; E105-R109 PolarHBondContact OE1-NE 3.38Å; E105-R109 IonicContact OE1-NH2 3.07Å; E105-R109 PolarHBondContact OE1-NH2 3.35Å; E105-R109 IonicContact OE2-NH2 3.27Å; E105-R109 PolarHBondContact OE2-NH2 3.01Å; N106-R109 CarbonylContact O-C 3.41Å; N106-R109 PolarHBondContact O-N 3Å; E107-R109 VanDerWaalsContact C-N 3.33Å; E107-R109 PolarHBondContact O-N 3.32Å; R109-R112 PolarHBondContact O-N 3.45Å; R109-L113 WeakPolarHBondContact O-CG 3.22Å; R109-L113 PolarHBondContact O-N 3.45Å; R109-L113 VanDerWaalsContact O-N 3.16Å |
| 110 | E | 91.9 | Very high | 82.9 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 44% | 0.444 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.4 | -45.9 | 177.6 | -175.7 | 176.2 | 178.9 | 0 | 0 | 111.8 | N106 E107 R112 L113 M114 | N106-E110 WeakPolarHBondContact O-CB 3.27Å; N106-E110 PolarHBondContact O-N 3.35Å; E107-E110 PolarHBondContact O-N 3.03Å; E110-R112 VanDerWaalsContact C-N 3.25Å; E110-R112 PolarHBondContact O-N 3.35Å; E110-L113 CarbonylContact O-C 3.58Å; E110-L113 WeakPolarHBondContact O-CA 3.23Å; E110-L113 WeakPolarHBondContact O-CB 3.48Å; E110-L113 PolarHBondContact O-N 2.97Å; E110-M114 HydrophobicContact CG-CG 4.23Å; E110-M114 WeakPolarHBondContact O-CG 3.49Å; E110-M114 PolarHBondContact O-N 3.21Å |
| 111 | I | 88.3 | Confident | 80.7 | Confident | 118 Ų | 118 | 112.2 Ų | 112.2 | 61% | 0.605 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.5 | -40.2 | 174.5 | -69.6 | 160.5 | 0 | 0 | 0 | 110.7 | E107 L113 M114 Y115 | E107-I111 WeakPolarHBondContact O-CB 3.4Å; E107-I111 WeakPolarHBondContact O-CD1 3.38Å; E107-I111 VanDerWaalsContact O-CG1 3.27Å; E107-I111 WeakPolarHBondContact O-CG1 3.43Å; E107-I111 PolarHBondContact O-N 3.18Å; I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.96Å; I111-M114 PolarHBondContact O-N 3.14Å; I111-Y115 PolarHBondContact O-N 3Å |
| 112 | R | 86 | Confident | 78.1 | Confident | 202 Ų | 202 | 110.3 Ų | 110.3 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.1 | -25.9 | 174.2 | 176.9 | 177.8 | -73 | -160.7 | -3.1 | 113.6 | A108 R109 E110 | A108-R112 WeakPolarHBondContact O-CB 3.47Å; A108-R112 PolarHBondContact O-N 3.41Å; R109-R112 PolarHBondContact O-N 3.45Å; E110-R112 VanDerWaalsContact C-N 3.25Å; E110-R112 PolarHBondContact O-N 3.35Å |
| 113 | L | 85 | Confident | 76 | Confident | 139 Ų | 139 | 117.5 Ų | 117.5 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -86.4 | -37 | 175.9 | -68.4 | 168.4 | 0 | 0 | 0 | 112.2 | R109 E110 I111 | R109-L113 WeakPolarHBondContact O-CG 3.22Å; R109-L113 PolarHBondContact O-N 3.45Å; R109-L113 VanDerWaalsContact O-N 3.16Å; E110-L113 CarbonylContact O-C 3.58Å; E110-L113 WeakPolarHBondContact O-CA 3.23Å; E110-L113 WeakPolarHBondContact O-CB 3.48Å; E110-L113 PolarHBondContact O-N 2.97Å; I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.96Å |
| 114 | M | 77.7 | Confident | 73.5 | Confident | 136 Ų | 136 | 116.9 Ų | 116.9 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.1 | -32 | 179.2 | -71.7 | -70.5 | -174.9 | 0 | 0 | 113.1 | E110 I111 P116 | E110-M114 HydrophobicContact CG-CG 4.23Å; E110-M114 WeakPolarHBondContact O-CG 3.49Å; E110-M114 PolarHBondContact O-N 3.21Å; I111-M114 PolarHBondContact O-N 3.14Å; M114-P116 VanDerWaalsContact C-CD 3.48Å; M114-P116 WeakPolarHBondContact O-CD 3.47Å |
| 115 | Y | 72.3 | Confident | 70.9 | Confident | 194 Ų | 194 | 115.5 Ų | 115.5 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -114.3 | 83.5 | 168.1 | -97.2 | -99.2 | 0 | 0 | 0 | 110.3 | I111 G117 | I111-Y115 PolarHBondContact O-N 3Å; Y115-G117 PolarHBondContact O-N 3.16Å; Y115-G117 VanDerWaalsContact O-N 3.13Å |
| 116 | P | 63.6 | Low | 68.6 | Low | 101 Ų | 101 | 118 Ų | 118 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | trans | -60.6 | 114.9 | 159.3 | -11.6 | 26.5 | 0 | 0 | 0 | 107.4 | M114 | M114-P116 VanDerWaalsContact C-CD 3.48Å; M114-P116 WeakPolarHBondContact O-CD 3.47Å | ||
| 117 | G | 66.1 | Low | 66.1 | Low | 64 Ų | 64 | 120.4 Ų | 120.4 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | trans | -56.3 | 137.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y115 G119 | Y115-G117 PolarHBondContact O-N 3.16Å; Y115-G117 VanDerWaalsContact O-N 3.13Å; G117-G119 PolarHBondContact O-N 3.19Å | ||
| 118 | P | 56.3 | Low | 63.7 | Low | 133 Ų | 133 | 125.4 Ų | 125.4 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -59 | 113.3 | 178.3 | -25.1 | 34.6 | 0 | 0 | 0 | 112.1 | ||
| 119 | G | 48.3 | Very low | 61.2 | Low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | 28.7 | 107.3 | 161 | 0 | 0 | 0 | 0 | 0 | 119.9 | G117 | G117-G119 PolarHBondContact O-N 3.19Š| ||
| 120 | I | 46.7 | Very low | 58.9 | Low | 178 Ų | 178 | 126 Ų | 126 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | -102.8 | 115.9 | 125.7 | -65.3 | -178.8 | 0 | 0 | 0 | 106.3 | G122 | I120-G122 PolarHBondContact O-N 3.11Š| |||
| 121 | G | 52.8 | Low | 56.3 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -70.8 | 121.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 122 | G | 44.2 | Very low | 54.2 | Low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -129.1 | 111.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I120 A124 | I120-G122 PolarHBondContact O-N 3.11Å; G122-A124 PolarHBondContact O-N 3Å | ||
| 123 | Q | 51.6 | Low | 51.8 | Low | 205 Ų | 205 | 121.8 Ų | 121.8 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -69.4 | 119.1 | 179.3 | -68.8 | -175.9 | 20.1 | 0 | 0 | 111.3 | ||||
| 124 | A | 44.3 | Very low | 49.4 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -161.1 | 135.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | G122 | G122-A124 PolarHBondContact O-N 3Š| ||
| 125 | G | 42.6 | Very low | 47.3 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | 141.9 | 77.8 | 7.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 126 | I | 46.7 | Very low | 45.9 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 68.5 | 122.5 | 157 | -53.8 | -179.6 | 0 | 0 | 0 | 118.9 | ||||
| 127 | N | 44.2 | Very low | 44.9 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -3.5 | 138.1 | 147.9 | -51.3 | -37.3 | 0 | 0 | 0 | 119.6 | ||||
| 128 | Q | 43.7 | Very low | 43.6 | Very low | 190 Ų | 190 | 124.9 Ų | 124.9 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | -172.5 | 159.9 | 100.2 | -99.9 | 161.2 | 101.6 | 0 | 0 | 114 | |||||
| 129 | G | 40.2 | Very low | 42.6 | Very low | 64 Ų | 64 | 123.6 Ų | 123.6 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -81.2 | -173 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 130 | P | 45.3 | Very low | 41.9 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | trans | -79.7 | 124.1 | -166.5 | 31 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 131 | A | 37.6 | Very low | 41.2 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -125.4 | 146.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 132 | V | 42.8 | Very low | 40.2 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 96% | 0.964 | 81% | 0.809 | S | S | * | * | trans | -75.1 | 132 | -169.6 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 133 | G | 35.4 | Very low | 39.7 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 151.7 | 99.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 134 | R | 34.5 | Very low | 39.8 | Very low | 252 Ų | 252 | 121.9 Ų | 121.9 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | 55 | 80.6 | 127 | -164.5 | 165.4 | 172.5 | -174.1 | -3.8 | 119.7 | |||||
| 135 | G | 34.9 | Very low | 39.5 | Very low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | 51.7 | 113.5 | 119.8 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 136 | V | 42 | Very low | 39.6 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | 163.7 | 134 | 128.2 | 156.6 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 137 | P | 43.9 | Very low | 39.4 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98 | 156.3 | -174.8 | 37.5 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 138 | P | 38.7 | Very low | 38.7 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 147.6 | 146.9 | 30.2 | -19.7 | 0 | 0 | 0 | 111.2 | ||
| 139 | A | 33.3 | Very low | 38.1 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 138 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 140 | S | 34.5 | Very low | 37.9 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 132.4 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 141 | G | 31.8 | Very low | 37.5 | Very low | 55 Ų | 55 | 123.1 Ų | 123.1 | 57% | 0.567 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 143.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 142 | N | 32.8 | Very low | 37.3 | Very low | 165 Ų | 165 | 128 Ų | 128 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | 67.1 | 121.4 | 153.6 | -56.2 | -9.3 | 0 | 0 | 0 | 119.7 | ||||
| 143 | S | 33.4 | Very low | 36.7 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -68.8 | -176.8 | 148.6 | 59 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 144 | P | 52.3 | Low | 36.9 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -119.2 | -145.6 | -16.7 | 41.4 | -22.2 | 0 | 0 | 0 | 109 | ||||
| 145 | P | 39.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | cis | -134.5 | 172.7 | 41.6 | 37.8 | -17.6 | 0 | 0 | 0 | 115.9 | ||||
| 146 | A | 44 | Very low | 36.9 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -112.1 | 136 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 147 | P | 41.7 | Very low | 36.6 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -82.1 | 115.3 | 157.5 | 31.8 | -26.7 | 0 | 0 | 0 | 107.3 | ||||
| 148 | C | 31.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | 64.6 | 120.4 | 69.8 | -155 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 149 | F | 30.8 | Very low | 36.1 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -101.9 | 137.4 | -173 | 175 | -99.8 | 0 | 0 | 0 | 108.5 | V151 | F149-V151 HydrophobicContact CD1-CG2 3.66Å; F149-V151 HydrophobicContact CE1-CG2 3.39Å; F149-V151 HydrophobicContact CZ-CG2 4.4Å | ||
| 150 | D | 35.3 | Very low | 36.4 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -124.9 | 149.7 | 178.8 | -129.3 | -39.2 | 0 | 0 | 0 | 112.4 | ||||
| 151 | V | 36.6 | Very low | 36.5 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 56% | 0.564 | 79% | 0.792 | S | S | * | * | trans | -126.2 | 118.2 | -153.6 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | F149 | F149-V151 HydrophobicContact CD1-CG2 3.66Å; F149-V151 HydrophobicContact CE1-CG2 3.39Å; F149-V151 HydrophobicContact CZ-CG2 4.4Å | ||
| 152 | F | 34.5 | Very low | 37.3 | Very low | 200 Ų | 200 | 142 Ų | 142 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 65.4 | 126.7 | 161.3 | -86.9 | -109.5 | 0 | 0 | 0 | 120.3 | ||||
| 153 | G | 30.5 | Very low | 37.4 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -156.5 | 108.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 154 | A | 39.5 | Very low | 37.4 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -91.9 | 132 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 155 | Q | 32.5 | Very low | 36.5 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -145.3 | 133.9 | 162.6 | -161.1 | 164.3 | 93.4 | 0 | 0 | 110.8 | ||||
| 156 | N | 35.6 | Very low | 36.2 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -78 | 136.1 | 172.5 | -86.5 | -108.5 | 0 | 0 | 0 | 109.1 | ||||
| 157 | H | 36.4 | Very low | 35.8 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -142 | 126.2 | 151.6 | -114.8 | -92.1 | 0 | 0 | 0 | 110.1 | ||||
| 158 | K | 38.8 | Very low | 35.4 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -82.7 | 135 | 162.4 | -80.6 | 177 | 166.7 | -177.5 | 0 | 107.7 | ||||
| 159 | E | 32.9 | Very low | 35.5 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -151.4 | 130.8 | 151.9 | -157.7 | 169.2 | 167.1 | 0 | 0 | 110.5 | ||||
| 160 | D | 40.2 | Very low | 35.5 | Very low | 163 Ų | 163 | 147 Ų | 147 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -84.9 | 126.3 | 175.3 | -86.8 | -83.1 | 0 | 0 | 0 | 110 | ||||
| 161 | G | 36.9 | Very low | 35.7 | Very low | 76 Ų | 76 | 142.9 Ų | 142.9 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -151.2 | 87.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 162 | K | 48 | Very low | 35.7 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -64.7 | 130.3 | 165.9 | -78 | 170.7 | 173.9 | 167.2 | 0 | 110.1 | ||||
| 163 | V | 34.8 | Very low | 36.1 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | -178.8 | 156.4 | 118 | -90.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 164 | S | 33.2 | Very low | 36.3 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | 57.1 | 107.2 | 161.5 | -98.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 165 | K | 34.1 | Very low | 36.1 | Very low | 197 Ų | 197 | 148.5 Ų | 148.5 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | cis | 73.5 | 69.3 | 49.7 | -159.9 | -175.3 | -175.2 | 177 | 0 | 114.8 | ||||
| 166 | Y | 33.1 | Very low | 36.8 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | -157.7 | 130.5 | 127.3 | 56.4 | -86 | 0 | 0 | 0 | 111.7 | I168 | Y166-I168 HydrophobicContact CD2-CD1 3.92Å; Y166-I168 HydrophobicContact CD2-CG1 4.12Å; Y166-I168 HydrophobicContact CE2-CD1 4.47Å | |||
| 167 | S | 36.2 | Very low | 36.9 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -111.6 | 124.5 | 159.5 | 175.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 168 | I | 33.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | trans | -111.6 | 85.2 | 177.9 | -60.7 | 173.5 | 0 | 0 | 0 | 107.6 | Y166 | Y166-I168 HydrophobicContact CD2-CD1 3.92Å; Y166-I168 HydrophobicContact CD2-CG1 4.12Å; Y166-I168 HydrophobicContact CE2-CD1 4.47Å | ||
| 169 | C | 32.3 | Very low | 36.6 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -87.6 | 110.1 | 152.5 | -76.2 | 0 | 0 | 0 | 0 | 107.7 | G171 | C169-G171 PolarHBondContact O-N 3.25Š| ||
| 170 | S | 31.9 | Very low | 37 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -73.3 | 91.6 | 171.5 | -64.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 171 | G | 38 | Very low | 36.6 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -116.6 | 114.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C169 | C169-G171 PolarHBondContact O-N 3.25Š| ||
| 172 | F | 37.8 | Very low | 36.3 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -89.9 | 124.7 | -166.8 | -143.7 | -108.9 | 0 | 0 | 0 | 112.3 | ||||
| 173 | L | 42.4 | Very low | 35.4 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 29.9 | 133 | 151.1 | -54 | -179.6 | 0 | 0 | 0 | 121.3 | ||||
| 174 | G | 33.9 | Very low | 35 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | 149.8 | 74.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 175 | Q | 36.2 | Very low | 35 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -98.3 | 158.5 | 159.1 | -140.7 | -177.6 | -38.2 | 0 | 0 | 108.7 | ||||
| 176 | P | 46.3 | Very low | 35.1 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | -141.7 | 147.1 | 88.3 | 34 | -17.3 | 0 | 0 | 0 | 116.1 | |||||
| 177 | L | 37.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 23.8 | 120.7 | 140.5 | -51 | 174.1 | 0 | 0 | 0 | 118.9 | ||||
| 178 | F | 33.8 | Very low | 35.3 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | -170.7 | 148.3 | 94.3 | -102.9 | -77 | 0 | 0 | 0 | 110.9 | |||||
| 179 | M | 34.7 | Very low | 35.2 | Very low | 147 Ų | 147 | 133 Ų | 133 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | -111.2 | 150 | 172.2 | -144.7 | 171.9 | 80.1 | 0 | 0 | 108 | L181 | M179-L181 HydrophobicContact CE-CD1 3.71Å; M179-L181 HydrophobicContact CE-CG 4.48Å | ||
| 180 | P | 42.5 | Very low | 35.1 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | -142.5 | 167.4 | 112.9 | 35.6 | -21.2 | 0 | 0 | 0 | 115 | |||||
| 181 | L | 32.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -68.7 | 147 | 177.4 | -63.9 | 74.1 | 0 | 0 | 0 | 111.6 | M179 | M179-L181 HydrophobicContact CE-CD1 3.71Å; M179-L181 HydrophobicContact CE-CG 4.48Å | ||
| 182 | N | 29.1 | Very low | 34.8 | Very low | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | -174.3 | 156 | 99.4 | -103.9 | -31.2 | 0 | 0 | 0 | 115.6 | |||||
| 183 | A | 29.5 | Very low | 34.4 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -56 | 154.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 184 | R | 26.4 | Very low | 33.9 | Very low | 239 Ų | 239 | 140.7 Ų | 140.7 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | 163.4 | 127.6 | 95.5 | -166.5 | 160.9 | -151.8 | 148.2 | 5.8 | 113 | |||||
| 185 | V | 34.2 | Very low | 33.9 | Very low | 134 Ų | 134 | 142 Ų | 142 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -81.7 | 135.9 | 166.2 | 171.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 186 | P | 35.1 | Very low | 34.4 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | -150.7 | 158.7 | 90.2 | 40.4 | -20.7 | 0 | 0 | 0 | 118.7 | |||||
| 187 | S | 26.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -85.1 | -171.4 | 157.5 | -136.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 188 | P | 46.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -128.6 | -172 | -24.2 | 38.5 | -22.4 | 0 | 0 | 0 | 111.5 | ||||
| 189 | S | 31.1 | Very low | 33.3 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -170.7 | 145.3 | 146.1 | 27.2 | 0 | 0 | 0 | 0 | 114.6 | R191 | S189-R191 VanDerWaalsContact CB-NH2 3.3Š| ||
| 190 | D | 30.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | trans | -87.2 | 179.2 | -173.1 | -34.7 | -110.5 | 0 | 0 | 0 | 115.7 | ||||
| 191 | R | 32.7 | Very low | 32.9 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | 90.1 | 113.1 | 136.6 | 81.3 | -131.1 | 102.5 | -147.2 | 6.9 | 121 | S189 | S189-R191 VanDerWaalsContact CB-NH2 3.3Š| ||
| 192 | K | 31.4 | Very low | 32.9 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | -177.5 | 152.1 | 103.7 | -99 | 167.5 | 179.1 | 177.1 | 0 | 114.6 | |||||
| 193 | D | 29.2 | Very low | 33.1 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -85.2 | 178.7 | -177.3 | -57.9 | -93.8 | 0 | 0 | 0 | 115.3 | ||||
| 194 | L | 33.1 | Very low | 33.3 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 107.6 | 109.5 | 150.7 | -55.6 | -179.1 | 0 | 0 | 0 | 118.5 | ||||
| 195 | S | 32.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 172.8 | 147.4 | -36.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 196 | P | 47 | Very low | 33.7 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | -156 | 170.5 | 71.9 | 41.3 | -20.5 | 0 | 0 | 0 | 118.4 | |||||
| 197 | S | 28.4 | Very low | 33.5 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 45.7 | 131 | 137.2 | -169.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 198 | K | 36.8 | Very low | 33.8 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | -174 | 157 | 89.2 | -149.8 | 162.2 | -175.5 | 176.8 | 0 | 114.9 | |||||
| 199 | D | 30.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | -83.4 | 160.5 | -174.5 | -34.2 | -95.7 | 0 | 0 | 0 | 113.7 | ||||
| 200 | N | 33.1 | Very low | 33.2 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | -175 | 156.8 | 115.7 | -99.8 | -40.3 | 0 | 0 | 0 | 115.2 | |||||
| 201 | I | 34 | Very low | 34 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -111.1 | 139.1 | -179.4 | -65 | 162.7 | 0 | 0 | 0 | 108.9 | ||||
| 202 | S | 33 | Very low | 33.9 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -165.7 | 148.1 | 140.7 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 203 | S | 34 | Very low | 35 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 152.5 | -179.4 | 48 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 204 | F | 32.5 | Very low | 35.8 | Very low | 204 Ų | 204 | 127.7 Ų | 127.7 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -159.1 | 166.1 | 146.6 | 56.3 | -90.7 | 0 | 0 | 0 | 110.2 | ||||
| 205 | A | 34.5 | Very low | 35.7 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | -128.3 | -173.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 206 | S | 34.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 83.7 | 147.2 | 171.9 | -49.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 207 | D | 30.2 | Very low | 35.2 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | cis | -168.1 | 159.7 | -19.5 | 179.4 | 34.1 | 0 | 0 | 0 | 109.7 | ||||
| 208 | S | 33.1 | Very low | 35.3 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 60.8 | 141.1 | 152.2 | 67.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 209 | G | 29.1 | Very low | 35.3 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | 140.8 | 87.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 210 | S | 37.2 | Very low | 35.5 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -101.5 | 155 | 157.5 | -51 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 211 | P | 46.3 | Very low | 35.7 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | -148.3 | 172.5 | 85.8 | 35.6 | -15.7 | 0 | 0 | 0 | 116.6 | |||||
| 212 | S | 29.8 | Very low | 35.8 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -89.6 | -167.7 | 176.5 | -24.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 213 | P | 55.4 | Low | 35.8 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | cis | -123.5 | -128.8 | -26.1 | 34 | -10.8 | 0 | 0 | 0 | 108.8 | ||||
| 214 | P | 45.7 | Very low | 35.7 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -134.2 | -165.5 | -30.9 | 36 | -14.3 | 0 | 0 | 0 | 115.3 | ||||
| 215 | S | 30.8 | Very low | 36.5 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 89 | 98.5 | 145.2 | -65.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 216 | D | 33.3 | Very low | 36.3 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | 33.7 | 134 | 125.6 | -60 | -72.4 | 0 | 0 | 0 | 125.8 | |||||
| 217 | Q | 35.5 | Very low | 36.3 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -172.8 | 123.4 | 136.2 | -99.9 | 163.3 | 106.7 | 0 | 0 | 107 | ||||
| 218 | L | 32.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | 64.8 | 127.3 | 61.1 | -159.9 | 66.8 | 0 | 0 | 0 | 111.6 | |||||
| 219 | S | 36.4 | Very low | 36.4 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | cis | -159 | 175.4 | 10.8 | 33.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 220 | D | 34.9 | Very low | 36.5 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -47.2 | 159 | 179.5 | -60.1 | -102.7 | 0 | 0 | 0 | 120.9 | ||||
| 221 | N | 36 | Very low | 36.4 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -157.9 | 116.8 | 136.8 | -129.7 | -3.3 | 0 | 0 | 0 | 116.2 | ||||
| 222 | T | 36.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | 36.5 | 100.7 | 146.7 | 60.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 223 | Q | 33.2 | Very low | 35.9 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 38.8 | 109.7 | 123.7 | -161.3 | 162 | -1 | 0 | 0 | 124.4 | |||||
| 224 | S | 32.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | 74.4 | 162.2 | 136.4 | -69.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 225 | P | 48.7 | Very low | 35.1 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -142.3 | 125.1 | -51.1 | 37.9 | -19.7 | 0 | 0 | 0 | 113.5 | |||||
| 226 | Q | 30.1 | Very low | 35.8 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | trans | -138.1 | 154.1 | 167.3 | -82.1 | -159.4 | -27.6 | 0 | 0 | 115.9 | ||||
| 227 | R | 36 | Very low | 35.9 | Very low | 245 Ų | 245 | 140.3 Ų | 140.3 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -104.2 | 113.1 | -157 | -174.5 | -163.4 | -144.5 | 125.7 | -2.8 | 110.5 | ||||
| 228 | S | 30.5 | Very low | 36 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -149.8 | 143.1 | 174.9 | -47.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 229 | L | 33.2 | Very low | 36.3 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | cis | -138.2 | 163.2 | 12.8 | -70.4 | 163.1 | 0 | 0 | 0 | 110.6 | ||||
| 230 | S | 32.5 | Very low | 36.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -124.1 | 115.2 | 164.1 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 231 | S | 33.7 | Very low | 36.7 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -154.6 | 120.7 | 163.5 | 56.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 232 | S | 34 | Very low | 36.8 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -74 | 147.1 | -178.3 | -42.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 233 | D | 33.1 | Very low | 36.8 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -140.9 | 120.4 | 158.7 | -154.5 | -22.2 | 0 | 0 | 0 | 109.5 | E235 | D233-E235 PolarHBondContact O-N 2.93Š| ||
| 234 | P | 45.1 | Very low | 37.1 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -88.1 | 85 | 177.4 | 34.6 | -32.5 | 0 | 0 | 0 | 110.7 | S236 | P234-S236 VanDerWaalsContact C-N 3.33Å; P234-S236 PolarHBondContact O-N 2.85Å | ||
| 235 | E | 38.9 | Very low | 37 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -67.6 | 94.2 | 170.8 | -167 | 171.1 | 94.5 | 0 | 0 | 110.2 | D233 G237 | D233-E235 PolarHBondContact O-N 2.93Å; E235-G237 PolarHBondContact O-N 3.05Å | ||
| 236 | S | 44.6 | Very low | 36.6 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 75 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | P234 S238 | P234-S236 VanDerWaalsContact C-N 3.33Å; P234-S236 PolarHBondContact O-N 2.85Å; S236-S238 PolarHBondContact O-N 2.86Å; S236-S238 PolarHBondContact OG-OG 3.31Å | ||
| 237 | G | 36.5 | Very low | 37.3 | Very low | 59 Ų | 59 | 138 Ų | 138 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | trans | -64.5 | 72.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | E235 E239 | E235-G237 PolarHBondContact O-N 3.05Å; G237-E239 PolarHBondContact O-N 3.49Å | ||
| 238 | S | 38.3 | Very low | 38 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -79 | 67.4 | 178.5 | -65 | 0 | 0 | 0 | 0 | 110.6 | S236 S240 | S236-S238 PolarHBondContact O-N 2.86Å; S236-S238 PolarHBondContact OG-OG 3.31Å; S238-S240 PolarHBondContact O-N 3.3Å | ||
| 239 | E | 37.5 | Very low | 38.8 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -71.1 | 66.6 | 170.4 | 59.9 | -174.9 | 99.9 | 0 | 0 | 111.3 | G237 E241 | G237-E239 PolarHBondContact O-N 3.49Å; E239-E241 PolarHBondContact O-N 2.91Å | ||
| 240 | S | 40.3 | Very low | 39.7 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -69.4 | 84.1 | 161.6 | -64.3 | 0 | 0 | 0 | 0 | 108 | S238 K242 | S238-S240 PolarHBondContact O-N 3.3Å; S240-K242 PolarHBondContact O-N 3.39Å | ||
| 241 | E | 40.2 | Very low | 41.7 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -57.4 | 90.6 | 161 | -82.8 | -158.8 | 115.5 | 0 | 0 | 108 | E239 P243 | E239-E241 PolarHBondContact O-N 2.91Å; E241-P243 VanDerWaalsContact O-CD 3.31Å; E241-P243 WeakPolarHBondContact O-CD 3.44Å; E241-P243 VanDerWaalsContact O-N 3.13Å | ||
| 242 | K | 37 | Very low | 44.4 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -55 | 117.2 | 177.7 | -156.8 | 164.1 | -171.4 | 168.5 | 0 | 106.8 | S240 K244 | S240-K242 PolarHBondContact O-N 3.39Å; K242-K244 PolarHBondContact O-N 3.31Å | ||
| 243 | P | 36.4 | Very low | 47.1 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | trans | -50.6 | 141.1 | 166.7 | -22.4 | 33.4 | 0 | 0 | 0 | 107.1 | E241 D245 | E241-P243 VanDerWaalsContact O-CD 3.31Å; E241-P243 WeakPolarHBondContact O-CD 3.44Å; E241-P243 VanDerWaalsContact O-N 3.13Å; P243-D245 PolarHBondContact O-N 3.46Å | ||
| 244 | K | 40.4 | Very low | 49.9 | Very low | 201 Ų | 201 | 123.2 Ų | 123.2 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | trans | -75.7 | 74.2 | 175.3 | -147.5 | 156.7 | -170.9 | 165.7 | 0 | 107.3 | K242 F246 | K242-K244 PolarHBondContact O-N 3.31Å; K244-F246 VanDerWaalsContact C-N 3.27Å; K244-F246 PolarHBondContact O-N 3.02Å | ||
| 245 | D | 30.1 | Very low | 52.2 | Low | 123 Ų | 123 | 120.9 Ų | 120.9 | 66% | 0.658 | 64% | 0.64 | S | S | * | * | trans | -57.6 | 95.6 | 171.5 | -69.9 | -46.4 | 0 | 0 | 0 | 106.5 | P243 P247 | P243-D245 PolarHBondContact O-N 3.46Å; D245-P247 WeakPolarHBondContact O-CD 3.41Å | ||
| 246 | F | 40.6 | Very low | 54.8 | Low | 174 Ų | 174 | 114.3 Ų | 114.3 | 76% | 0.763 | 61% | 0.61 | S | S | * | * | trans | -51.5 | 124.9 | 154.5 | -69.6 | -86.8 | 0 | 0 | 0 | 105.5 | K244 N248 | K244-F246 VanDerWaalsContact C-N 3.27Å; K244-F246 PolarHBondContact O-N 3.02Å; F246-N248 PolarHBondContact O-N 3.08Å | ||
| 247 | P | 43.4 | Very low | 57.1 | Low | 89 Ų | 89 | 109.7 Ų | 109.7 | 58% | 0.578 | 58% | 0.578 | S | S | * | * | trans | -65 | 95.7 | 172.8 | 26.3 | -32.3 | 0 | 0 | 0 | 107.6 | D245 L249 | D245-P247 WeakPolarHBondContact O-CD 3.41Å; P247-L249 HydrophobicContact CB-CB 4.48Å; P247-L249 PolarHBondContact O-N 2.86Å | ||
| 248 | N | 50.8 | Low | 59.8 | Low | 154 Ų | 154 | 108.1 Ų | 108.1 | 82% | 0.824 | 56% | 0.559 | S | S | * | * | trans | -72.9 | 47.5 | 148.9 | -76.5 | -67.6 | 0 | 0 | 0 | 108.5 | F246 D250 | F246-N248 PolarHBondContact O-N 3.08Å; N248-D250 PolarHBondContact O-N 2.76Å | ||
| 249 | L | 48.8 | Very low | 62.4 | Low | 141 Ų | 141 | 111.9 Ų | 111.9 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | trans | -66.8 | 98.8 | 146.7 | -108.4 | 74.3 | 0 | 0 | 0 | 104.4 | P247 R251 | P247-L249 HydrophobicContact CB-CB 4.48Å; P247-L249 PolarHBondContact O-N 2.86Å; L249-R251 VanDerWaalsContact C-N 3.28Å; L249-R251 PolarHBondContact O-N 2.95Å | ||
| 250 | D | 51.7 | Low | 65.1 | Low | 158 Ų | 158 | 107.3 Ų | 107.3 | 85% | 0.845 | 54% | 0.544 | S | S | * | . | trans | 29.8 | 64 | 137.1 | -152.8 | 16.8 | 0 | 0 | 0 | 113.3 | N248 D252 | N248-D250 PolarHBondContact O-N 2.76Å; D250-D252 PolarHBondContact O-N 2.77Å; D250-D252 VanDerWaalsContact O-N 3.12Å | ||
| 251 | R | 75.1 | Confident | 67.6 | Low | 150 Ų | 150 | 104 Ų | 104 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | trans | -69.9 | 115.5 | -177.7 | -83.6 | -169.6 | 177.1 | -93.8 | -4.4 | 107 | L249 P253 I256 | L249-R251 VanDerWaalsContact C-N 3.28Å; L249-R251 PolarHBondContact O-N 2.95Å; R251-P253 VanDerWaalsContact O-N 3.12Å; R251-I256 HydrophobicContact CB-CD1 3.92Å; R251-I256 HydrophobicContact CB-CG1 4Å | ||
| 252 | D | 89.1 | Confident | 70.1 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | trans | -42 | 120.9 | 174.6 | 172.2 | 22.8 | 0 | 0 | 0 | 109.1 | D250 A254 D255 I256 R266 | D250-D252 PolarHBondContact O-N 2.77Å; D250-D252 VanDerWaalsContact O-N 3.12Å; D252-A254 PolarHBondContact O-N 3.4Å; D252-A254 PolarHBondContact OD1-N 3.31Å; D252-A254 WeakPolarHBondContact OD2-CB 3.21Å; D252-D255 WeakPolarHBondContact O-CB 3.27Å; D252-D255 PolarHBondContact O-N 2.93Å; D252-I256 PolarHBondContact O-N 3.24Å; D252-R266 IonicContact OD2-NH2 3.94Å | ||
| 253 | P | 91.6 | Very high | 72.5 | Confident | 29 Ų | 29 | 99.9 Ų | 99.9 | 19% | 0.188 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -56.3 | -21.4 | -175.3 | 14.1 | -26.8 | 0 | 0 | 0 | 113.1 | R251 I256 M257 V273 I280 | R251-P253 VanDerWaalsContact O-N 3.12Å; P253-I256 PolarHBondContact O-N 2.81Å; P253-M257 VanDerWaalsContact O-CG 3.27Å; P253-M257 WeakPolarHBondContact O-CG 3.42Å; P253-M257 PolarHBondContact O-N 3.17Å; P253-M257 VanDerWaalsContact O-N 3.07Å; P253-V273 HydrophobicContact CB-CG1 3.68Å; P253-V273 HydrophobicContact CB-CG2 4.44Å; P253-V273 HydrophobicContact CG-CG1 3.58Å; P253-I280 HydrophobicContact CB-CD1 4.25Å; P253-I280 HydrophobicContact CB-CG1 3.68Å |
| 254 | A | 92.2 | Very high | 75 | Confident | 2 Ų | 2 | 98.5 Ų | 98.5 | 2% | 0.017 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D252 I256 M257 A258 E270 | D252-A254 PolarHBondContact O-N 3.4Å; D252-A254 PolarHBondContact OD1-N 3.31Å; D252-A254 WeakPolarHBondContact OD2-CB 3.21Å; A254-I256 VanDerWaalsContact C-N 3.32Å; A254-M257 PolarHBondContact O-N 3.3Å; A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.44Å; A254-E270 HydrophobicContact CB-CB 4.37Å; A254-E270 HydrophobicContact CB-CG 3.46Å; A254-E270 VanDerWaalsContact CB-CG 3.46Å |
| 255 | D | 93.4 | Very high | 77.6 | Confident | 64 Ų | 64 | 96.8 Ų | 96.8 | 34% | 0.342 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 172.7 | -87.7 | -24 | 0 | 0 | 0 | 111.7 | D252 A258 K259 R266 | D252-D255 WeakPolarHBondContact O-CB 3.27Å; D252-D255 PolarHBondContact O-N 2.93Å; D255-A258 PolarHBondContact O-N 3.45Å; D255-K259 WeakPolarHBondContact O-CB 3.36Å; D255-K259 PolarHBondContact O-N 2.91Å; D255-R266 IonicContact OD1-CZ 2.82Å; D255-R266 IonicContact OD1-NH1 3.95Å; D255-R266 PolarHBondContact OD1-NH1 3.35Å; D255-R266 IonicContact OD1-NH2 3.78Å; D255-R266 PolarHBondContact OD1-NH2 2.79Å |
| 256 | I | 93.4 | Very high | 80.6 | Confident | 51 Ų | 51 | 95.7 Ų | 95.7 | 26% | 0.262 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 176.8 | -62 | 171.6 | 0 | 0 | 0 | 109.3 | R251 D252 P253 A254 A258 K259 I260 I280 | R251-I256 HydrophobicContact CB-CD1 3.92Å; R251-I256 HydrophobicContact CB-CG1 4Å; D252-I256 PolarHBondContact O-N 3.24Å; P253-I256 PolarHBondContact O-N 2.81Å; A254-I256 VanDerWaalsContact C-N 3.32Å; I256-A258 PolarHBondContact O-N 3.19Å; I256-K259 PolarHBondContact O-N 3.14Å; I256-I260 HydrophobicContact CG2-CD1 3.82Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.41Å; I256-I260 PolarHBondContact O-N 3.34Å; I256-I280 HydrophobicContact CB-CD1 4.42Å; I256-I280 HydrophobicContact CD1-CD1 3.58Å; I256-I280 HydrophobicContact CG2-CD1 4.25Å; I256-I280 HydrophobicContact CG2-CG2 4.08Å |
| 257 | M | 92.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 92.5 Ų | 92.5 | 0% | 0 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.2 | -70.4 | -65.1 | -68.9 | 0 | 0 | 112.8 | P253 A254 K259 I260 F261 L269 V273 I280 I284 V287 | P253-M257 VanDerWaalsContact O-CG 3.27Å; P253-M257 WeakPolarHBondContact O-CG 3.42Å; P253-M257 PolarHBondContact O-N 3.17Å; P253-M257 VanDerWaalsContact O-N 3.07Å; A254-M257 PolarHBondContact O-N 3.3Å; M257-K259 VanDerWaalsContact C-N 3.3Å; M257-K259 PolarHBondContact O-N 3.03Å; M257-I260 PolarHBondContact O-N 3.23Å; M257-F261 HydrophobicContact CE-CD2 3.9Å; M257-F261 HydrophobicContact CE-CE2 3.69Å; M257-F261 PolarHBondContact O-N 3.34Å; M257-F261 HydrophobicContact SD-CE2 4.28Å; M257-L269 HydrophobicContact CB-CB 4.07Å; M257-L269 HydrophobicContact CB-CD1 4.47Å; M257-L269 HydrophobicContact CB-CD2 4.42Å; M257-L269 HydrophobicContact CE-CD2 4.19Å; M257-V273 HydrophobicContact CB-CG2 4.31Å; M257-V273 HydrophobicContact CG-CG2 3.55Å; M257-I280 HydrophobicContact SD-CG2 4.06Å; M257-I284 HydrophobicContact CE-CG1 4.21Å; M257-I284 HydrophobicContact SD-CG1 3.68Å; M257-V287 HydrophobicContact CE-CB 4.39Å; M257-V287 HydrophobicContact CE-CG2 3.37Å |
| 258 | A | 93.3 | Very high | 85.6 | Confident | 26 Ų | 26 | 90.5 Ų | 90.5 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.7 | -35 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A254 D255 I256 F261 L269 | A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.44Å; D255-A258 PolarHBondContact O-N 3.45Å; I256-A258 PolarHBondContact O-N 3.19Å; A258-F261 CarbonylContact O-C 3.58Å; A258-L269 HydrophobicContact CB-CD1 4.3Å |
| 259 | K | 93.3 | Very high | 87.6 | Confident | 172 Ų | 172 | 83.2 Ų | 83.2 | 75% | 0.748 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.4 | -32.9 | 175.4 | -168.9 | 172.7 | -178.2 | 179.5 | 0 | 113.1 | D255 I256 M257 | D255-K259 WeakPolarHBondContact O-CB 3.36Å; D255-K259 PolarHBondContact O-N 2.91Å; I256-K259 PolarHBondContact O-N 3.14Å; M257-K259 VanDerWaalsContact C-N 3.3Å; M257-K259 PolarHBondContact O-N 3.03Å |
| 260 | I | 93.1 | Very high | 89.8 | Confident | 81 Ų | 81 | 79 Ų | 79 | 42% | 0.415 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.7 | -35.1 | 176 | -64.4 | 166.7 | 0 | 0 | 0 | 111 | I256 M257 P262 I284 | I256-I260 HydrophobicContact CG2-CD1 3.82Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.41Å; I256-I260 PolarHBondContact O-N 3.34Å; M257-I260 PolarHBondContact O-N 3.23Å; I260-P262 VanDerWaalsContact C-CD 3.47Å; I260-P262 WeakPolarHBondContact O-CD 3.45Å; I260-I284 HydrophobicContact CD1-CD1 3.99Å |
| 261 | F | 93.3 | Very high | 91.8 | Very high | 38 Ų | 38 | 74.3 Ų | 74.3 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | trans | -123 | 67.1 | -176.9 | -58.1 | -70.1 | 0 | 0 | 0 | 112.8 | M257 A258 H263 K264 L269 I284 V287 L288 | M257-F261 HydrophobicContact CE-CD2 3.9Å; M257-F261 HydrophobicContact CE-CE2 3.69Å; M257-F261 PolarHBondContact O-N 3.34Å; M257-F261 HydrophobicContact SD-CE2 4.28Å; A258-F261 CarbonylContact O-C 3.58Å; F261-H263 PolarHBondContact O-N 3.45Å; F261-K264 HydrophobicContact CB-CB 4.19Å; F261-K264 HydrophobicContact CB-CG 4.36Å; F261-K264 PolarHBondContact O-N 2.91Å; F261-L269 HydrophobicContact CB-CD1 4.33Å; F261-L269 HydrophobicContact CB-CD2 4.27Å; F261-L269 HydrophobicContact CD2-CD2 4.19Å; F261-I284 HydrophobicContact CE2-CG1 4.03Å; F261-I284 HydrophobicContact CZ-CG1 4.4Å; F261-I284 HydrophobicContact CZ-CG2 4.23Å; F261-V287 HydrophobicContact CD1-CG1 3.72Å; F261-V287 HydrophobicContact CD2-CB 4.33Å; F261-V287 HydrophobicContact CD2-CG1 3.82Å; F261-V287 HydrophobicContact CD2-CG2 3.99Å; F261-V287 HydrophobicContact CE1-CB 4.47Å; F261-V287 HydrophobicContact CE1-CG1 3.47Å; F261-V287 VanDerWaalsContact CE1-CG1 3.47Å; F261-V287 HydrophobicContact CE2-CB 3.83Å; F261-V287 HydrophobicContact CE2-CG1 3.57Å; F261-V287 HydrophobicContact CE2-CG2 3.84Å; F261-V287 HydrophobicContact CG-CG1 3.88Å; F261-V287 HydrophobicContact CZ-CB 3.91Å; F261-V287 HydrophobicContact CZ-CG1 3.39Å; F261-V287 HydrophobicContact CZ-CG2 4.42Å; F261-L288 HydrophobicContact CE1-CD2 4.41Å | ||
| 262 | P | 91.6 | Very high | 92.7 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.7 | -176.7 | 26.3 | -36.2 | 0 | 0 | 0 | 114.3 | I260 | I260-P262 VanDerWaalsContact C-CD 3.47Å; I260-P262 WeakPolarHBondContact O-CD 3.45Å |
| 263 | H | 88.3 | Confident | 93 | Very high | 184 Ų | 184 | 65.1 Ų | 65.1 | 85% | 0.852 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 0.7 | 177.5 | -53.9 | -65.5 | 0 | 0 | 0 | 114.4 | F261 | F261-H263 PolarHBondContact O-N 3.45Š|
| 264 | K | 89.5 | Confident | 93.1 | Very high | 63 Ų | 63 | 71.8 Ų | 71.8 | 27% | 0.274 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -103.6 | 143.7 | 174.3 | -73.9 | -155.7 | 176.4 | -165.3 | 0 | 110.7 | F261 L269 V287 S290 | F261-K264 HydrophobicContact CB-CB 4.19Å; F261-K264 HydrophobicContact CB-CG 4.36Å; F261-K264 PolarHBondContact O-N 2.91Å; K264-L269 HydrophobicContact CB-CD1 4.18Å; K264-L269 HydrophobicContact CB-CD2 4.04Å; K264-L269 HydrophobicContact CB-CG 4.18Å; K264-L269 HydrophobicContact CD-CD2 4.31Å; K264-V287 HydrophobicContact CD-CG1 3.91Å; K264-V287 PolarHBondContact NZ-O 3.03Å; K264-S290 PolarHBondContact NZ-OG 3.34Å |
| 265 | K | 94.1 | Very high | 93.1 | Very high | 165 Ų | 165 | 76.4 Ų | 76.4 | 72% | 0.717 | 38% | 0.381 | S | S | * | . | trans | -61.3 | 136.2 | 176.9 | -69 | -168.4 | 174.9 | -168.5 | 0 | 110.7 | D267 A268 L269 | K265-D267 PolarHBondContact O-N 3.02Å; K265-A268 WeakPolarHBondContact O-CB 3.34Å; K265-A268 PolarHBondContact O-N 3.39Å; K265-L269 PolarHBondContact O-N 2.88Å | ||
| 266 | R | 94.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 74.3 Ų | 74.3 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | -176.2 | -165.1 | -175.8 | 168.9 | 100.3 | 5.2 | 112.5 | D252 D255 A268 L269 E270 | D252-R266 IonicContact OD2-NH2 3.94Å; D255-R266 IonicContact OD1-CZ 2.82Å; D255-R266 IonicContact OD1-NH1 3.95Å; D255-R266 PolarHBondContact OD1-NH1 3.35Å; D255-R266 IonicContact OD1-NH2 3.78Å; D255-R266 PolarHBondContact OD1-NH2 2.79Å; R266-A268 PolarHBondContact O-N 3.06Å; R266-L269 WeakPolarHBondContact O-CA 3.47Å; R266-L269 WeakPolarHBondContact O-CB 3.28Å; R266-L269 PolarHBondContact O-N 3.08Å; R266-E270 WeakPolarHBondContact CD-OE1 3.43Å; R266-E270 HydrophobicContact CG-CG 4.39Å; R266-E270 WeakPolarHBondContact CG-OE1 3.46Å; R266-E270 IonicContact CZ-OE1 2.79Å; R266-E270 IonicContact NE-OE1 2.6Å; R266-E270 PolarHBondContact NE-OE1 3.25Å; R266-E270 IonicContact NH2-OE1 3.33Å; R266-E270 PolarHBondContact O-N 2.87Å |
| 267 | D | 93.5 | Very high | 93 | Very high | 108 Ų | 108 | 81.6 Ų | 81.6 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.7 | -36.6 | 178.8 | -31.3 | -53.3 | 0 | 0 | 0 | 113 | K265 S271 | K265-D267 PolarHBondContact O-N 3.02Å; D267-S271 WeakPolarHBondContact O-CB 3.49Å; D267-S271 PolarHBondContact O-N 3.41Å |
| 268 | A | 93.7 | Very high | 92.9 | Very high | 47 Ų | 47 | 83.1 Ų | 83.1 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.6 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K265 R266 S271 M272 | K265-A268 WeakPolarHBondContact O-CB 3.34Å; K265-A268 PolarHBondContact O-N 3.39Å; R266-A268 PolarHBondContact O-N 3.06Å; A268-S271 PolarHBondContact O-N 3.29Å; A268-M272 WeakPolarHBondContact O-CG 3.49Å; A268-M272 PolarHBondContact O-N 2.94Å; A268-M272 VanDerWaalsContact O-N 3.11Å |
| 269 | L | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 176.3 | -59.2 | 172.8 | 0 | 0 | 0 | 110.9 | M257 A258 F261 K264 K265 R266 M272 V273 V287 | M257-L269 HydrophobicContact CB-CB 4.07Å; M257-L269 HydrophobicContact CB-CD1 4.47Å; M257-L269 HydrophobicContact CB-CD2 4.42Å; M257-L269 HydrophobicContact CE-CD2 4.19Å; A258-L269 HydrophobicContact CB-CD1 4.3Å; F261-L269 HydrophobicContact CB-CD1 4.33Å; F261-L269 HydrophobicContact CB-CD2 4.27Å; F261-L269 HydrophobicContact CD2-CD2 4.19Å; K264-L269 HydrophobicContact CB-CD1 4.18Å; K264-L269 HydrophobicContact CB-CD2 4.04Å; K264-L269 HydrophobicContact CB-CG 4.18Å; K264-L269 HydrophobicContact CD-CD2 4.31Å; K265-L269 PolarHBondContact O-N 2.88Å; R266-L269 WeakPolarHBondContact O-CA 3.47Å; R266-L269 WeakPolarHBondContact O-CB 3.28Å; R266-L269 PolarHBondContact O-N 3.08Å; L269-M272 PolarHBondContact O-N 3.07Å; L269-V273 WeakPolarHBondContact O-CB 3.27Å; L269-V273 WeakPolarHBondContact O-CG2 3.3Å; L269-V273 PolarHBondContact O-N 2.83Å; L269-V287 HydrophobicContact CD2-CG2 3.74Å |
| 270 | E | 94.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 173.9 | -75 | 174.9 | -164.8 | 0 | 0 | 113.1 | A254 R266 M272 R274 | A254-E270 HydrophobicContact CB-CB 4.37Å; A254-E270 HydrophobicContact CB-CG 3.46Å; A254-E270 VanDerWaalsContact CB-CG 3.46Å; R266-E270 WeakPolarHBondContact CD-OE1 3.43Å; R266-E270 HydrophobicContact CG-CG 4.39Å; R266-E270 WeakPolarHBondContact CG-OE1 3.46Å; R266-E270 IonicContact CZ-OE1 2.79Å; R266-E270 IonicContact NE-OE1 2.6Å; R266-E270 PolarHBondContact NE-OE1 3.25Å; R266-E270 IonicContact NH2-OE1 3.33Å; R266-E270 PolarHBondContact O-N 2.87Å; E270-M272 VanDerWaalsContact C-N 3.29Å; E270-M272 PolarHBondContact O-N 3.29Å; E270-R274 WeakPolarHBondContact O-CB 3.46Å; E270-R274 WeakPolarHBondContact O-CG 3.22Å; E270-R274 PolarHBondContact O-N 3.01Å; E270-R274 PolarHBondContact O-NE 3.34Å; E270-R274 IonicContact OE2-NH2 3.64Å |
| 271 | S | 94.3 | Very high | 93 | Very high | 58 Ų | 58 | 78.9 Ų | 78.9 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | D267 A268 R274 T275 | D267-S271 WeakPolarHBondContact O-CB 3.49Å; D267-S271 PolarHBondContact O-N 3.41Å; A268-S271 PolarHBondContact O-N 3.29Å; S271-R274 PolarHBondContact O-N 3.31Å; S271-T275 PolarHBondContact O-N 3.13Å; S271-T275 PolarHBondContact O-OG1 2.92Å |
| 272 | M | 93.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 82.5 Ų | 82.5 | 11% | 0.113 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -74.3 | -41.8 | 179.5 | -67.3 | 167.9 | 54.6 | 0 | 0 | 112.7 | A268 L269 E270 R274 T275 C276 S283 L286 V287 | A268-M272 WeakPolarHBondContact O-CG 3.49Å; A268-M272 PolarHBondContact O-N 2.94Å; A268-M272 VanDerWaalsContact O-N 3.11Å; L269-M272 PolarHBondContact O-N 3.07Å; E270-M272 VanDerWaalsContact C-N 3.29Å; E270-M272 PolarHBondContact O-N 3.29Å; M272-R274 VanDerWaalsContact C-N 3.27Å; M272-R274 PolarHBondContact O-N 3.22Å; M272-T275 WeakPolarHBondContact O-CA 3.46Å; M272-T275 WeakPolarHBondContact O-CB 3.37Å; M272-T275 PolarHBondContact O-N 3.25Å; M272-T275 VanDerWaalsContact O-N 3.08Å; M272-C276 WeakPolarHBondContact O-CB 3.46Å; M272-C276 PolarHBondContact O-N 2.81Å; M272-C276 PolarHBondContact O-SG 3.2Å; M272-S283 WeakPolarHBondContact CE-O 3.42Å; M272-L286 HydrophobicContact CB-CD2 4.22Å; M272-L286 VanDerWaalsContact CE-C 3.41Å; M272-L286 HydrophobicContact CE-CB 3.69Å; M272-L286 HydrophobicContact CE-CD2 4.04Å; M272-L286 HydrophobicContact CE-CG 3.73Å; M272-L286 HydrophobicContact CG-CD2 4Å; M272-V287 HydrophobicContact CE-CB 3.97Å; M272-V287 HydrophobicContact CE-CG2 3.23Å; M272-V287 HydrophobicContact SD-CG2 4.06Å |
| 273 | V | 95 | Very high | 93.2 | Very high | 9 Ų | 9 | 78 Ų | 78 | 6% | 0.055 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 171.8 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | P253 M257 L269 C276 K277 G278 S283 | P253-V273 HydrophobicContact CB-CG1 3.68Å; P253-V273 HydrophobicContact CB-CG2 4.44Å; P253-V273 HydrophobicContact CG-CG1 3.58Å; M257-V273 HydrophobicContact CB-CG2 4.31Å; M257-V273 HydrophobicContact CG-CG2 3.55Å; L269-V273 WeakPolarHBondContact O-CB 3.27Å; L269-V273 WeakPolarHBondContact O-CG2 3.3Å; L269-V273 PolarHBondContact O-N 2.83Å; V273-C276 CarbonylContact O-C 2.94Å; V273-C276 PolarHBondContact O-N 3.38Å; V273-K277 PolarHBondContact O-N 3.25Å; V273-K277 VanDerWaalsContact O-N 3.11Å; V273-G278 PolarHBondContact O-N 3.17Å; V273-S283 WeakPolarHBondContact CA-OG 3.47Å |
| 274 | R | 93.7 | Very high | 93.5 | Very high | 169 Ų | 169 | 71.5 Ų | 71.5 | 64% | 0.638 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 171.3 | -78.3 | 177.4 | -83.7 | 165.4 | -16 | 112.5 | E270 S271 M272 C276 K277 | E270-R274 WeakPolarHBondContact O-CB 3.46Å; E270-R274 WeakPolarHBondContact O-CG 3.22Å; E270-R274 PolarHBondContact O-N 3.01Å; E270-R274 PolarHBondContact O-NE 3.34Å; E270-R274 IonicContact OE2-NH2 3.64Å; S271-R274 PolarHBondContact O-N 3.31Å; M272-R274 VanDerWaalsContact C-N 3.27Å; M272-R274 PolarHBondContact O-N 3.22Å; R274-C276 VanDerWaalsContact C-N 3.27Å; R274-C276 PolarHBondContact O-N 3.14Å; R274-K277 PolarHBondContact O-N 3.38Å; R274-K277 VanDerWaalsContact O-N 3.15Å |
| 275 | T | 93.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 60% | 0.601 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.6 | -38.8 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | S271 M272 K277 | S271-T275 PolarHBondContact O-N 3.13Å; S271-T275 PolarHBondContact O-OG1 2.92Å; M272-T275 WeakPolarHBondContact O-CA 3.46Å; M272-T275 WeakPolarHBondContact O-CB 3.37Å; M272-T275 PolarHBondContact O-N 3.25Å; M272-T275 VanDerWaalsContact O-N 3.08Å; T275-K277 VanDerWaalsContact C-N 3.33Å; T275-K277 PolarHBondContact O-N 3.42Å |
| 276 | C | 92.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 69 Ų | 69 | 14% | 0.142 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 9.4 | 179.4 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | M272 V273 R274 G278 D279 K282 S283 | M272-C276 WeakPolarHBondContact O-CB 3.46Å; M272-C276 PolarHBondContact O-N 2.81Å; M272-C276 PolarHBondContact O-SG 3.2Å; V273-C276 CarbonylContact O-C 2.94Å; V273-C276 PolarHBondContact O-N 3.38Å; R274-C276 VanDerWaalsContact C-N 3.27Å; R274-C276 PolarHBondContact O-N 3.14Å; C276-G278 VanDerWaalsContact C-N 3.26Å; C276-G278 PolarHBondContact O-N 3.35Å; C276-D279 HydrophobicContact CB-CB 4.33Å; C276-D279 WeakPolarHBondContact CB-O 3.06Å; C276-D279 VanDerWaalsContact O-CB 3.24Å; C276-D279 WeakPolarHBondContact O-CB 3.11Å; C276-D279 PolarHBondContact O-N 3.25Å; C276-K282 HydrophobicContact CB-CB 4.05Å; C276-K282 VanDerWaalsContact SG-C 3.58Å; C276-S283 WeakPolarHBondContact CB-OG 3.49Å |
| 277 | K | 92.1 | Very high | 93.5 | Very high | 204 Ų | 204 | 64.3 Ų | 64.3 | 89% | 0.887 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 35.8 | -179.8 | -54.5 | -175.3 | 179.8 | -176.4 | 0 | 114.2 | V273 R274 T275 | V273-K277 PolarHBondContact O-N 3.25Å; V273-K277 VanDerWaalsContact O-N 3.11Å; R274-K277 PolarHBondContact O-N 3.38Å; R274-K277 VanDerWaalsContact O-N 3.15Å; T275-K277 VanDerWaalsContact C-N 3.33Å; T275-K277 PolarHBondContact O-N 3.42Å |
| 278 | G | 90 | Very high | 93.3 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -4.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | V273 C276 I280 | V273-G278 PolarHBondContact O-N 3.17Å; C276-G278 VanDerWaalsContact C-N 3.26Å; C276-G278 PolarHBondContact O-N 3.35Å; G278-I280 PolarHBondContact O-N 3.01Å; G278-I280 VanDerWaalsContact O-N 3.14Å |
| 279 | D | 93.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 65.8 Ų | 65.8 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | trans | -72.1 | 106.6 | 176.4 | -171.9 | -34.9 | 0 | 0 | 0 | 111.2 | C276 V281 K282 S283 | C276-D279 HydrophobicContact CB-CB 4.33Å; C276-D279 WeakPolarHBondContact CB-O 3.06Å; C276-D279 VanDerWaalsContact O-CB 3.24Å; C276-D279 WeakPolarHBondContact O-CB 3.11Å; C276-D279 PolarHBondContact O-N 3.25Å; D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 3.19Å; D279-V281 PolarHBondContact OD1-N 2.83Å; D279-K282 HydrophobicContact CB-CB 4.23Å; D279-K282 HydrophobicContact CB-CD 4.4Å; D279-K282 HydrophobicContact CB-CG 4.34Å; D279-K282 PolarHBondContact OD1-N 3.07Å; D279-K282 IonicContact OD2-NZ 3.2Å; D279-K282 PolarHBondContact OD2-NZ 3.23Å; D279-S283 WeakPolarHBondContact O-CB 3.31Å; D279-S283 PolarHBondContact O-N 3.33Å; D279-S283 PolarHBondContact O-OG 2.94Å | ||
| 280 | I | 94.1 | Very high | 92.4 | Very high | 50 Ų | 50 | 68.3 Ų | 68.3 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | -178.2 | -58.6 | 159.8 | 0 | 0 | 0 | 111.2 | P253 I256 M257 G278 S283 I284 | P253-I280 HydrophobicContact CB-CD1 4.25Å; P253-I280 HydrophobicContact CB-CG1 3.68Å; I256-I280 HydrophobicContact CB-CD1 4.42Å; I256-I280 HydrophobicContact CD1-CD1 3.58Å; I256-I280 HydrophobicContact CG2-CD1 4.25Å; I256-I280 HydrophobicContact CG2-CG2 4.08Å; M257-I280 HydrophobicContact SD-CG2 4.06Å; G278-I280 PolarHBondContact O-N 3.01Å; G278-I280 VanDerWaalsContact O-N 3.14Å; I280-S283 WeakPolarHBondContact O-CB 3.23Å; I280-S283 PolarHBondContact O-N 3.24Å; I280-I284 HydrophobicContact CG2-CD1 3.95Å; I280-I284 HydrophobicContact CG2-CG1 4.48Å; I280-I284 VanDerWaalsContact O-CG1 3.28Å; I280-I284 WeakPolarHBondContact O-CG1 3.44Å; I280-I284 PolarHBondContact O-N 3.23Å |
| 281 | V | 95.2 | Very high | 91.2 | Very high | 91 Ų | 91 | 72.6 Ų | 72.6 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.1 | -48.6 | -175.8 | -177 | 0 | 0 | 0 | 0 | 110 | D279 S283 I284 E285 | D279-V281 VanDerWaalsContact C-N 3.34Å; D279-V281 PolarHBondContact O-N 3.19Å; D279-V281 PolarHBondContact OD1-N 2.83Å; V281-S283 PolarHBondContact O-N 3.48Å; V281-I284 WeakPolarHBondContact O-CB 3.38Å; V281-I284 PolarHBondContact O-N 2.67Å; V281-I284 VanDerWaalsContact O-N 3.12Å; V281-E285 PolarHBondContact O-N 2.97Å |
| 282 | K | 93.7 | Very high | 89.7 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 50% | 0.5 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 174 | -65.1 | -172.1 | -176.6 | 84.1 | 0 | 112.1 | C276 D279 E285 L286 | C276-K282 HydrophobicContact CB-CB 4.05Å; C276-K282 VanDerWaalsContact SG-C 3.58Å; D279-K282 HydrophobicContact CB-CB 4.23Å; D279-K282 HydrophobicContact CB-CD 4.4Å; D279-K282 HydrophobicContact CB-CG 4.34Å; D279-K282 PolarHBondContact OD1-N 3.07Å; D279-K282 IonicContact OD2-NZ 3.2Å; D279-K282 PolarHBondContact OD2-NZ 3.23Å; K282-E285 PolarHBondContact O-N 2.81Å; K282-L286 WeakPolarHBondContact O-CB 3.37Å; K282-L286 PolarHBondContact O-N 2.92Å; K282-L286 VanDerWaalsContact O-N 3.12Å |
| 283 | S | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | M272 V273 C276 D279 I280 V281 L286 V287 | M272-S283 WeakPolarHBondContact CE-O 3.42Å; V273-S283 WeakPolarHBondContact CA-OG 3.47Å; C276-S283 WeakPolarHBondContact CB-OG 3.49Å; D279-S283 WeakPolarHBondContact O-CB 3.31Å; D279-S283 PolarHBondContact O-N 3.33Å; D279-S283 PolarHBondContact O-OG 2.94Å; I280-S283 WeakPolarHBondContact O-CB 3.23Å; I280-S283 PolarHBondContact O-N 3.24Å; V281-S283 PolarHBondContact O-N 3.48Å; S283-L286 PolarHBondContact O-N 3.16Å; S283-V287 WeakPolarHBondContact O-CG2 3.45Å; S283-V287 PolarHBondContact O-N 2.83Å |
| 284 | I | 94.1 | Very high | 85.7 | Confident | 47 Ų | 47 | 92.3 Ų | 92.3 | 24% | 0.241 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 175.3 | -71.3 | 162.3 | 0 | 0 | 0 | 110.9 | M257 I260 F261 I280 V281 L286 V287 L288 | M257-I284 HydrophobicContact CE-CG1 4.21Å; M257-I284 HydrophobicContact SD-CG1 3.68Å; I260-I284 HydrophobicContact CD1-CD1 3.99Å; F261-I284 HydrophobicContact CE2-CG1 4.03Å; F261-I284 HydrophobicContact CZ-CG1 4.4Å; F261-I284 HydrophobicContact CZ-CG2 4.23Å; I280-I284 HydrophobicContact CG2-CD1 3.95Å; I280-I284 HydrophobicContact CG2-CG1 4.48Å; I280-I284 VanDerWaalsContact O-CG1 3.28Å; I280-I284 WeakPolarHBondContact O-CG1 3.44Å; I280-I284 PolarHBondContact O-N 3.23Å; V281-I284 WeakPolarHBondContact O-CB 3.38Å; V281-I284 PolarHBondContact O-N 2.67Å; V281-I284 VanDerWaalsContact O-N 3.12Å; I284-L286 VanDerWaalsContact C-N 3.29Å; I284-L286 PolarHBondContact O-N 3.43Å; I284-V287 WeakPolarHBondContact O-CA 3.46Å; I284-V287 WeakPolarHBondContact O-CB 3.46Å; I284-V287 PolarHBondContact O-N 3.04Å; I284-L288 HydrophobicContact CG2-CD1 4.05Å; I284-L288 WeakPolarHBondContact O-CG 3.38Å; I284-L288 PolarHBondContact O-N 3.39Å; I284-L288 VanDerWaalsContact O-N 3.1Å |
| 285 | E | 93.8 | Very high | 83.4 | Confident | 107 Ų | 107 | 89.5 Ų | 89.5 | 50% | 0.5 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 177.8 | -68.9 | 170.6 | 178.8 | 0 | 0 | 111.4 | V281 K282 V287 L288 N289 | V281-E285 PolarHBondContact O-N 2.97Å; K282-E285 PolarHBondContact O-N 2.81Å; E285-V287 VanDerWaalsContact C-N 3.3Å; E285-V287 PolarHBondContact O-N 2.82Å; E285-L288 PolarHBondContact O-N 3.13Å; E285-N289 VanDerWaalsContact O-CG 3.31Å; E285-N289 PolarHBondContact O-N 3.31Å |
| 286 | L | 92.3 | Very high | 81 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 36% | 0.356 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -27.5 | 175.5 | -169.6 | 64.7 | 0 | 0 | 0 | 112.7 | M272 K282 S283 I284 S290 | M272-L286 HydrophobicContact CB-CD2 4.22Å; M272-L286 VanDerWaalsContact CE-C 3.41Å; M272-L286 HydrophobicContact CE-CB 3.69Å; M272-L286 HydrophobicContact CE-CD2 4.04Å; M272-L286 HydrophobicContact CE-CG 3.73Å; M272-L286 HydrophobicContact CG-CD2 4Å; K282-L286 WeakPolarHBondContact O-CB 3.37Å; K282-L286 PolarHBondContact O-N 2.92Å; K282-L286 VanDerWaalsContact O-N 3.12Å; S283-L286 PolarHBondContact O-N 3.16Å; I284-L286 VanDerWaalsContact C-N 3.29Å; I284-L286 PolarHBondContact O-N 3.43Å; L286-S290 VanDerWaalsContact O-CB 3.26Å; L286-S290 WeakPolarHBondContact O-CB 3.08Å; L286-S290 PolarHBondContact O-N 3.27Å; L286-S290 PolarHBondContact O-OG 2.76Å |
| 287 | V | 91.6 | Very high | 78.5 | Confident | 2 Ų | 2 | 97.6 Ų | 97.6 | 1% | 0.012 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 175.1 | 162.3 | 0 | 0 | 0 | 0 | 111.2 | M257 F261 K264 L269 M272 S283 I284 E285 S290 | M257-V287 HydrophobicContact CE-CB 4.39Å; M257-V287 HydrophobicContact CE-CG2 3.37Å; F261-V287 HydrophobicContact CD1-CG1 3.72Å; F261-V287 HydrophobicContact CD2-CB 4.33Å; F261-V287 HydrophobicContact CD2-CG1 3.82Å; F261-V287 HydrophobicContact CD2-CG2 3.99Å; F261-V287 HydrophobicContact CE1-CB 4.47Å; F261-V287 HydrophobicContact CE1-CG1 3.47Å; F261-V287 VanDerWaalsContact CE1-CG1 3.47Å; F261-V287 HydrophobicContact CE2-CB 3.83Å; F261-V287 HydrophobicContact CE2-CG1 3.57Å; F261-V287 HydrophobicContact CE2-CG2 3.84Å; F261-V287 HydrophobicContact CG-CG1 3.88Å; F261-V287 HydrophobicContact CZ-CB 3.91Å; F261-V287 HydrophobicContact CZ-CG1 3.39Å; F261-V287 HydrophobicContact CZ-CG2 4.42Å; K264-V287 HydrophobicContact CD-CG1 3.91Å; K264-V287 PolarHBondContact NZ-O 3.03Å; L269-V287 HydrophobicContact CD2-CG2 3.74Å; M272-V287 HydrophobicContact CE-CB 3.97Å; M272-V287 HydrophobicContact CE-CG2 3.23Å; M272-V287 HydrophobicContact SD-CG2 4.06Å; S283-V287 WeakPolarHBondContact O-CG2 3.45Å; S283-V287 PolarHBondContact O-N 2.83Å; I284-V287 WeakPolarHBondContact O-CA 3.46Å; I284-V287 WeakPolarHBondContact O-CB 3.46Å; I284-V287 PolarHBondContact O-N 3.04Å; E285-V287 VanDerWaalsContact C-N 3.3Å; E285-V287 PolarHBondContact O-N 2.82Å; V287-S290 PolarHBondContact O-OG 2.96Å |
| 288 | L | 90.4 | Very high | 75.9 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.5 | -50.5 | -177.7 | -61.4 | 173.2 | 0 | 0 | 0 | 110 | F261 I284 E285 S290 K291 E292 | F261-L288 HydrophobicContact CE1-CD2 4.41Å; I284-L288 HydrophobicContact CG2-CD1 4.05Å; I284-L288 WeakPolarHBondContact O-CG 3.38Å; I284-L288 PolarHBondContact O-N 3.39Å; I284-L288 VanDerWaalsContact O-N 3.1Å; E285-L288 PolarHBondContact O-N 3.13Å; L288-S290 PolarHBondContact O-N 3.08Å; L288-K291 WeakPolarHBondContact O-CB 3.39Å; L288-K291 PolarHBondContact O-N 2.69Å; L288-E292 PolarHBondContact O-N 2.76Å |
| 289 | N | 88.5 | Confident | 73.4 | Confident | 95 Ų | 95 | 93.6 Ų | 93.6 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -26.9 | 178.6 | -65.4 | -7.1 | 0 | 0 | 0 | 113.5 | E285 K291 | E285-N289 VanDerWaalsContact O-CG 3.31Å; E285-N289 PolarHBondContact O-N 3.31Å; N289-K291 VanDerWaalsContact C-N 3.34Å |
| 290 | S | 78.7 | Confident | 70.4 | Confident | 54 Ų | 54 | 97.2 Ų | 97.2 | 38% | 0.378 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -79.2 | -12.4 | 173.4 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | K264 L286 V287 L288 | K264-S290 PolarHBondContact NZ-OG 3.34Å; L286-S290 VanDerWaalsContact O-CB 3.26Å; L286-S290 WeakPolarHBondContact O-CB 3.08Å; L286-S290 PolarHBondContact O-N 3.27Å; L286-S290 PolarHBondContact O-OG 2.76Å; V287-S290 PolarHBondContact O-OG 2.96Å; L288-S290 PolarHBondContact O-N 3.08Å |
| 291 | K | 70.1 | Confident | 67.6 | Low | 143 Ų | 143 | 100.4 Ų | 100.4 | 62% | 0.622 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -87.9 | -36.9 | 178.6 | -165.7 | 179.5 | 177.5 | -172.4 | 0 | 112.1 | L288 N289 K293 K294 | L288-K291 WeakPolarHBondContact O-CB 3.39Å; L288-K291 PolarHBondContact O-N 2.69Å; N289-K291 VanDerWaalsContact C-N 3.34Å; K291-K293 PolarHBondContact O-N 2.88Å; K291-K294 PolarHBondContact O-N 2.71Å; K291-K294 VanDerWaalsContact O-N 3.07Å |
| 292 | E | 61.3 | Low | 65.8 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62 | -31.6 | 178 | -64.2 | -179.8 | 140.4 | 0 | 0 | 112.5 | L288 K294 T295 | L288-E292 PolarHBondContact O-N 2.76Å; E292-K294 PolarHBondContact O-N 2.91Å; E292-K294 VanDerWaalsContact O-N 3.15Å; E292-T295 PolarHBondContact O-OG1 2.77Å; E292-T295 VanDerWaalsContact O-OG1 3.08Å |
| 293 | K | 56.6 | Low | 62.8 | Low | 185 Ų | 185 | 102.2 Ų | 102.2 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 5.5 | 175.6 | -59.7 | -172 | -179.4 | -174.5 | 0 | 114.6 | K291 | K291-K293 PolarHBondContact O-N 2.88Š|
| 294 | K | 49.2 | Very low | 60.3 | Low | 184 Ų | 184 | 110.2 Ų | 110.2 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 29.3 | 179.8 | -156.8 | 176.5 | 174.4 | 171.9 | 0 | 112.8 | K291 E292 | K291-K294 PolarHBondContact O-N 2.71Å; K291-K294 VanDerWaalsContact O-N 3.07Å; E292-K294 PolarHBondContact O-N 2.91Å; E292-K294 VanDerWaalsContact O-N 3.15Å |
| 295 | T | 45.1 | Very low | 57.5 | Low | 110 Ų | 110 | 115.7 Ų | 115.7 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -110.3 | -13.6 | 168.1 | 39.2 | 0 | 0 | 0 | 0 | 114 | E292 | E292-T295 PolarHBondContact O-OG1 2.77Å; E292-T295 VanDerWaalsContact O-OG1 3.08Å |
| 296 | D | 43.6 | Very low | 54.8 | Low | 143 Ų | 143 | 118.6 Ų | 118.6 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | trans | -114.8 | 92.9 | 177.5 | -64 | -56.1 | 0 | 0 | 0 | 111.9 | ||||
| 297 | T | 39.5 | Very low | 52.1 | Low | 146 Ų | 146 | 120.4 Ų | 120.4 | 90% | 0.896 | 70% | 0.7 | S | S | * | * | trans | -146.6 | 80.2 | 157.9 | -55.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 298 | G | 36.5 | Very low | 49.3 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | -145.3 | 89.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 299 | G | 37.7 | Very low | 46.6 | Very low | 69 Ų | 69 | 126.2 Ų | 126.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 115 | 128.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 300 | S | 31.7 | Very low | 43.8 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | 82 | 142.5 | 158.4 | -35.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 301 | S | 35.6 | Very low | 41.9 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -116.1 | -162.3 | -158.8 | -38.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 302 | P | 57.3 | Low | 40.7 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -98.9 | 164.6 | -138.7 | 39.9 | -30.4 | 0 | 0 | 0 | 114.4 | ||||
| 303 | S | 31 | Very low | 39.1 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -148.1 | 116.3 | 161.3 | -73.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 304 | L | 42.6 | Very low | 38.1 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -71.3 | 140 | 162.6 | -126.5 | 127.9 | 0 | 0 | 0 | 108.1 | ||||
| 305 | L | 34.8 | Very low | 37.3 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -171.9 | 164.7 | 135.4 | -103.4 | 177.2 | 0 | 0 | 0 | 112.4 | ||||
| 306 | Q | 36.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -87.3 | 154.4 | -165.4 | -75.4 | 168.6 | -39.1 | 0 | 0 | 115.3 | ||||
| 307 | S | 35.3 | Very low | 37 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 19.8 | 126.7 | 133.4 | -50.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 308 | S | 33.5 | Very low | 36.7 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | 104.7 | 140.6 | 122.5 | 80.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 309 | V | 33.1 | Very low | 36.6 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | 59.3 | 111 | 160.6 | -154.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 310 | F | 29.5 | Very low | 36.8 | Very low | 197 Ų | 197 | 131.7 Ų | 131.7 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | -179.9 | 128.4 | 105.5 | -90.2 | -68.2 | 0 | 0 | 0 | 111.7 | |||||
| 311 | K | 38.5 | Very low | 37 | Very low | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -109.1 | 170.8 | 157.8 | -93.5 | -177.1 | 176.8 | 179.2 | 0 | 106.2 | ||||
| 312 | P | 45.3 | Very low | 37 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | cis | -143.6 | 174.1 | 20.8 | 41.5 | -22.7 | 0 | 0 | 0 | 117.5 | ||||
| 313 | A | 28.8 | Very low | 36.6 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -147.9 | 149.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 314 | A | 35.8 | Very low | 37 | Very low | 111 Ų | 111 | 125 Ų | 125 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -56 | 155.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 315 | G | 30.6 | Very low | 37.5 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | cis | -165.8 | 169.2 | 4.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 316 | L | 38.5 | Very low | 37.9 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -98.1 | 179.5 | 177.5 | -86.5 | 163.8 | 0 | 0 | 0 | 110.7 | ||||
| 317 | P | 45.3 | Very low | 38.3 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | cis | -115 | 165.3 | -0.6 | 14.2 | 11.1 | 0 | 0 | 0 | 112.7 | ||||
| 318 | G | 33.3 | Very low | 38.9 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | cis | 104.7 | 131.6 | 49.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 319 | A | 33.9 | Very low | 40 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | cis | -144.5 | 170.4 | 46.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 320 | L | 41.1 | Very low | 40.5 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -78.9 | 145.8 | -173.5 | -158.1 | 74.4 | 0 | 0 | 0 | 112.3 | ||||
| 321 | G | 35.6 | Very low | 41.3 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -160.3 | 103.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 322 | S | 36.7 | Very low | 41.3 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -42.7 | 153.4 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 323 | A | 47.8 | Very low | 41.2 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -48.5 | 147.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 324 | G | 39.1 | Very low | 42.1 | Very low | 52 Ų | 52 | 124.5 Ų | 124.5 | 54% | 0.536 | 81% | 0.811 | S | S | . | * | trans | -178.1 | 100.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K326 | G324-K326 PolarHBondContact O-N 3Š| ||
| 325 | T | 53.8 | Low | 42.2 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -59.3 | 113.2 | 170.3 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 326 | K | 44 | Very low | 42.9 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | trans | -164.6 | 109.8 | 166 | 45.7 | -173.5 | 179.4 | -64.3 | 0 | 108.1 | G324 | G324-K326 PolarHBondContact O-N 3Š| ||
| 327 | S | 44.1 | Very low | 42.9 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | 67.7 | 110.9 | 90.7 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | F329 | S327-F329 VanDerWaalsContact C-N 3.28Å; S327-F329 PolarHBondContact O-N 3.13Å | |||
| 328 | A | 47.5 | Very low | 43 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -86.6 | 14.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 329 | F | 57.3 | Low | 43.1 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -125.4 | 103.8 | 179.4 | -65.4 | -79.8 | 0 | 0 | 0 | 110.1 | S327 | S327-F329 VanDerWaalsContact C-N 3.28Å; S327-F329 PolarHBondContact O-N 3.13Å | ||
| 330 | S | 44.6 | Very low | 43.2 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -150.5 | 123.8 | 166.5 | -72.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 331 | P | 45.5 | Very low | 43.2 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 146.9 | -179.6 | -16.9 | 31.1 | 0 | 0 | 0 | 112.1 | H333 | P331-H333 PolarHBondContact O-N 2.71Š|
| 332 | L | 39.5 | Very low | 43.3 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 117.3 | 172.6 | -64 | 173.7 | 0 | 0 | 0 | 110 | ||
| 333 | H | 42.9 | Very low | 43.9 | Very low | 187 Ų | 187 | 127.5 Ų | 127.5 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 120.7 | 167.2 | -136.7 | 100.6 | 0 | 0 | 0 | 108.3 | P331 | P331-H333 PolarHBondContact O-N 2.71Š|
| 334 | V | 47.3 | Very low | 43.6 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -98 | 116.1 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 335 | H | 38.3 | Very low | 43.6 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 132.1 | 169.8 | -100.8 | -90.9 | 0 | 0 | 0 | 110.4 | ||
| 336 | P | 43.8 | Very low | 43 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 138.2 | 159.7 | 31.2 | -29.1 | 0 | 0 | 0 | 110.1 | ||
| 337 | A | 38.6 | Very low | 42.7 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 155.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 338 | P | 47.7 | Very low | 43 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 151.1 | -174.9 | 35.6 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 339 | G | 35.9 | Very low | 42.6 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 130.9 | 125 | 161 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 340 | G | 35.2 | Very low | 42 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 141.5 | 85.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 341 | D | 41.2 | Very low | 41.6 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -66.1 | 139.9 | 172.7 | -51.3 | -82 | 0 | 0 | 0 | 111.9 | ||||
| 342 | S | 38.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | -174 | 140.7 | 128.8 | -167.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 343 | L | 48.5 | Very low | 41.4 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 70% | 0.696 | 82% | 0.815 | S | S | * | * | trans | -63.8 | 157.7 | -177.8 | -68.7 | 130.4 | 0 | 0 | 0 | 115.4 | ||||
| 344 | Y | 43.3 | Very low | 41.8 | Very low | 218 Ų | 218 | 129.3 Ų | 129.3 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 112.7 | 106.2 | 150.4 | -60.5 | -65.3 | 0 | 0 | 0 | 115.5 | ||||
| 345 | G | 38 | Very low | 41.7 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -90.2 | 159.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 346 | L | 40.9 | Very low | 41.7 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 95% | 0.953 | 82% | 0.82 | S | S | * | * | trans | -156 | 153.9 | 141.5 | -96 | -175.8 | 0 | 0 | 0 | 109.3 | ||||
| 347 | S | 39 | Very low | 41.6 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | -69.5 | 161.5 | -169.1 | -58.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 348 | P | 50.1 | Low | 41.5 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -83.9 | 138.3 | -171.4 | 33.1 | -34.7 | 0 | 0 | 0 | 113.4 | ||||
| 349 | H | 38.1 | Very low | 41 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -126.7 | 111.4 | 167.1 | -97.6 | -93.6 | 0 | 0 | 0 | 112 | ||||
| 350 | L | 46 | Very low | 41.1 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 23.4 | 120.2 | 145 | -52.7 | 176 | 0 | 0 | 0 | 119.3 | ||||
| 351 | G | 35.2 | Very low | 41.3 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | -172.8 | 90.7 | 167 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 352 | V | 44.4 | Very low | 41.2 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -57.6 | 141.1 | 165.7 | -77.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 353 | S | 37.3 | Very low | 41.2 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | -173.1 | 158.7 | 63.6 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 354 | P | 51.2 | Low | 40.8 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -102.1 | 117.5 | -177.9 | 35.5 | -28.7 | 0 | 0 | 0 | 113.9 | ||||
| 355 | L | 44.7 | Very low | 40.4 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -153.9 | 147.4 | 158.4 | -82.5 | -172.2 | 0 | 0 | 0 | 111.7 | ||||
| 356 | R | 39.1 | Very low | 40.9 | Very low | 226 Ų | 226 | 134.9 Ų | 134.9 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 68.5 | 151.5 | 169.6 | -77.6 | -173.5 | 158.1 | -171.7 | -4 | 115.6 | ||||
| 357 | L | 41.4 | Very low | 40.9 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 71% | 0.712 | 82% | 0.815 | S | S | * | * | cis | -151.7 | 162 | 9.5 | -125.5 | 156.6 | 0 | 0 | 0 | 111.5 | ||||
| 358 | A | 36.2 | Very low | 41.1 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 60% | 0.595 | 82% | 0.817 | S | S | * | * | trans | 22.1 | 124.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121 | S360 | A358-S360 PolarHBondContact O-N 2.73Š| ||
| 359 | Y | 36.6 | Very low | 41 | Very low | 233 Ų | 233 | 133.1 Ų | 133.1 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | trans | -62 | 114.2 | 144.5 | -106.5 | -106.1 | 0 | 0 | 0 | 109.5 | ||||
| 360 | S | 38 | Very low | 41.2 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -98 | 131.8 | 157.2 | -71.2 | 0 | 0 | 0 | 0 | 108 | A358 | A358-S360 PolarHBondContact O-N 2.73Š| ||
| 361 | S | 39.7 | Very low | 40.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -122.7 | 119.3 | 179.2 | 53 | 0 | 0 | 0 | 0 | 111 | ||||
| 362 | A | 38 | Very low | 41.7 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -163.8 | 143.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 363 | S | 39.3 | Very low | 41.5 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | cis | -170.3 | 141.4 | -12 | 46.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 364 | G | 39.4 | Very low | 41.6 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | 106 | 130.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 365 | G | 35.9 | Very low | 41.1 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | cis | -177.5 | 157.2 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 366 | L | 47.9 | Very low | 40.8 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 99% | 0.99 | 81% | 0.811 | S | S | * | * | trans | 69.8 | 133.8 | 170.9 | -61.7 | 166.3 | 0 | 0 | 0 | 118.8 | ||||
| 367 | G | 40.5 | Very low | 41 | Very low | 82 Ų | 82 | 126 Ų | 126 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 109.9 | 73.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 368 | G | 44.1 | Very low | 41.2 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -88.1 | 147 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 369 | F | 47.4 | Very low | 41.8 | Very low | 216 Ų | 216 | 133.3 Ų | 133.3 | 95% | 0.947 | 83% | 0.831 | S | S | * | * | trans | -141 | 130.5 | 152.6 | -116.2 | -87.5 | 0 | 0 | 0 | 109.6 | ||||
| 370 | M | 42.9 | Very low | 42.3 | Very low | 163 Ų | 163 | 128 Ų | 128 | 80% | 0.803 | 83% | 0.825 | S | S | * | * | trans | -82.7 | 149.2 | -175 | -67.8 | -115.6 | 72.4 | 0 | 0 | 112.2 | ||||
| 371 | S | 35.4 | Very low | 42.5 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -133.8 | 119.6 | 162.6 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 372 | P | 56.8 | Low | 42.9 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -87.7 | 119.1 | -167.8 | 31.8 | -33.3 | 0 | 0 | 0 | 114 | ||||
| 373 | Y | 39 | Very low | 43 | Very low | 191 Ų | 191 | 134 Ų | 134 | 75% | 0.749 | 83% | 0.829 | S | S | * | * | trans | 22.6 | 121.6 | 141.8 | -59.9 | -85.9 | 0 | 0 | 0 | 120.6 | ||||
| 374 | V | 39.9 | Very low | 43.1 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -115.5 | 135.2 | 132.8 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 375 | T | 40.2 | Very low | 43.2 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 83% | 0.828 | S | S | * | * | trans | -146.5 | 145.6 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 376 | S | 38.6 | Very low | 43.3 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -61.6 | 154.1 | -167.7 | -50.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 377 | G | 43.3 | Very low | 43.1 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | -90.7 | 171 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 378 | L | 46.4 | Very low | 43.4 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -138 | 140.8 | 161.5 | -72.9 | 174.2 | 0 | 0 | 0 | 108.1 | ||||
| 379 | M | 48 | Very low | 42.8 | Very low | 188 Ų | 188 | 149.7 Ų | 149.7 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | -83.7 | 147.6 | 175.3 | -78.5 | -79.7 | 168.8 | 0 | 0 | 111.1 | ||||
| 380 | P | 46.9 | Very low | 42.2 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -126.2 | 133.9 | 139.9 | 29.3 | -15.4 | 0 | 0 | 0 | 111.8 | ||||
| 381 | L | 43.8 | Very low | 42.1 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -100.8 | 109.3 | 177.7 | -178.4 | 138.9 | 0 | 0 | 0 | 109.1 | ||||
| 382 | L | 47.2 | Very low | 42.9 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -142.6 | 134.8 | 162.5 | -76.8 | -178 | 0 | 0 | 0 | 110.7 | ||||
| 383 | T | 40.8 | Very low | 41.8 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | trans | -82 | 141.6 | 176.4 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 384 | L | 40.8 | Very low | 42.5 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -175.3 | 103.8 | 147.3 | -101.4 | 158.1 | 0 | 0 | 0 | 112.8 | ||||
| 385 | R | 40.7 | Very low | 42.4 | Very low | 226 Ų | 226 | 142.3 Ų | 142.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | 26.4 | 119.2 | 140.5 | -168.3 | -178.1 | -166.4 | 131.8 | 0.8 | 120.4 | ||||
| 386 | P | 39.4 | Very low | 42.7 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 149.5 | 157.9 | 34.9 | -31.8 | 0 | 0 | 0 | 112.3 | ||
| 387 | P | 43.2 | Very low | 42.9 | Very low | 127 Ų | 127 | 147 Ų | 147 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 157.4 | 161.8 | 15.4 | 0.4 | 0 | 0 | 0 | 112.5 | ||
| 388 | L | 46.3 | Very low | 43 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82 | 146.3 | 175.1 | -82.3 | 149.7 | 0 | 0 | 0 | 112 | ||
| 389 | D | 32.7 | Very low | 42.6 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | 161.8 | 145.2 | 131.7 | -84.6 | -17.3 | 0 | 0 | 0 | 109.6 | ||||
| 390 | S | 34.7 | Very low | 42 | Very low | 104 Ų | 104 | 153.5 Ų | 153.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | -152.5 | 137.5 | -1.4 | 37.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 391 | H | 40.1 | Very low | 41.5 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | 30.9 | 138.9 | 162.1 | -75.1 | -79.1 | 0 | 0 | 0 | 126.7 | ||||
| 392 | P | 51.4 | Low | 41 | Very low | 106 Ų | 106 | 154.9 Ų | 154.9 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | trans | -107.3 | 178.7 | 171.6 | 43.3 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 393 | F | 34.2 | Very low | 40.5 | Very low | 202 Ų | 202 | 152.9 Ų | 152.9 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -132.3 | 160.6 | 169.3 | -110.9 | -109.6 | 0 | 0 | 0 | 111.3 | ||||
| 394 | P | 54.3 | Low | 40.1 | Very low | 114 Ų | 114 | 156 Ų | 156 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | -145.2 | -176.4 | -111.4 | 38.6 | -15.8 | 0 | 0 | 0 | 117 | |||||
| 395 | G | 36.7 | Very low | 39.5 | Very low | 73 Ų | 73 | 153.3 Ų | 153.3 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 98.4 | 137.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 396 | M | 47.9 | Very low | 39.3 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 93% | 0.931 | 80% | 0.797 | S | S | * | * | cis | -134.6 | 156.5 | 9.5 | -77.9 | 170.7 | 51.2 | 0 | 0 | 112.6 | ||||
| 397 | I | 43 | Very low | 39.2 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -104.2 | 144.9 | -175.6 | -61.9 | 159.5 | 0 | 0 | 0 | 110 | ||||
| 398 | R | 43.9 | Very low | 38.6 | Very low | 236 Ų | 236 | 151.2 Ų | 151.2 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -163.5 | 85.8 | 142.2 | -116.4 | 178.3 | -179 | -168.5 | -0.5 | 112.8 | ||||
| 399 | D | 38.8 | Very low | 38.2 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -84.8 | 148.6 | 154 | -81.4 | -52.8 | 0 | 0 | 0 | 109.8 | ||||
| 400 | F | 35.3 | Very low | 38.3 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -159 | 128.8 | 149.3 | -96.1 | -64.7 | 0 | 0 | 0 | 112 | ||||
| 401 | S | 35.5 | Very low | 38.1 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 60.5 | 117 | 151.8 | -48.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 402 | Y | 34.7 | Very low | 37.8 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | cis | 73.4 | 100.5 | 43.8 | -162.2 | -91.8 | 0 | 0 | 0 | 115.5 | ||||
| 403 | I | 36.7 | Very low | 36.9 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 65% | 0.651 | 80% | 0.799 | S | S | * | * | trans | 53.3 | 109.4 | 154.3 | -52.8 | -169.3 | 0 | 0 | 0 | 120.3 | ||||
| 404 | Q | 31.6 | Very low | 36.9 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -174.2 | 151.2 | 130.3 | -101.8 | 176.9 | 11.2 | 0 | 0 | 106.8 | ||||
| 405 | S | 28.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | cis | -154.1 | 168.6 | -3.4 | 51.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 406 | K | 37.3 | Very low | 36.2 | Very low | 175 Ų | 175 | 152 Ų | 152 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -103.1 | 153.5 | 174.9 | -149.9 | -170.6 | 165.2 | -157.8 | 0 | 109.6 | ||||
| 407 | D | 35.7 | Very low | 35.7 | Very low | 132 Ų | 132 | 149 Ų | 149 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 60.2 | 110.3 | 160.2 | -54.1 | -44.3 | 0 | 0 | 0 | 119.9 | ||||
| 408 | S | 31.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -173.6 | 102.9 | 144.8 | -169.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 409 | L | 38.6 | Very low | 35.1 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | 61.6 | 134.2 | 78.1 | -73.1 | 178.5 | 0 | 0 | 0 | 116.6 | |||||
| 410 | C | 33.6 | Very low | 35 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -27.5 | 138.4 | -178.2 | -58.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 411 | S | 30 | Very low | 35.4 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | -158.4 | 130.3 | 120.4 | -88.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 412 | T | 34.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 7.6 | 141.5 | 139.8 | 53.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 413 | T | 33 | Very low | 35.5 | Very low | 143 Ų | 143 | 149 Ų | 149 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | -175.2 | 161.1 | 56 | -43.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 414 | G | 32.9 | Very low | 35.4 | Very low | 71 Ų | 71 | 150.1 Ų | 150.1 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 136.9 | 78 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 415 | L | 41 | Very low | 35.6 | Very low | 166 Ų | 166 | 148 Ų | 148 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 137.3 | 161.9 | -67.7 | 163.3 | 0 | 0 | 0 | 109.6 | ||||
| 416 | Y | 37 | Very low | 36 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 89% | 0.886 | 80% | 0.803 | S | S | * | * | trans | -136.6 | 98.1 | 159.2 | -112.3 | -79.9 | 0 | 0 | 0 | 111.6 | ||||
| 417 | T | 36.5 | Very low | 35.9 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -75.1 | 136.9 | 161.5 | -45.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 418 | R | 37 | Very low | 35.9 | Very low | 225 Ų | 225 | 149.4 Ų | 149.4 | 85% | 0.849 | 81% | 0.811 | S | S | * | * | trans | -139.2 | 122.2 | 167.4 | -144.6 | -75.8 | -177.9 | 175.9 | -0.2 | 109.5 | ||||
| 419 | L | 37.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 64% | 0.644 | 81% | 0.811 | S | S | * | * | trans | -58.9 | 141.6 | -179.9 | -74.7 | 74.8 | 0 | 0 | 0 | 111.2 | ||||
| 420 | N | 36.1 | Very low | 36.1 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -96.4 | 130.5 | 149.6 | -157.8 | 37.3 | 0 | 0 | 0 | 106.7 | ||||
| 421 | N | 43.8 | Very low | 36.2 | Very low | 109 Ų | 109 | 153.6 Ų | 153.6 | 58% | 0.583 | 81% | 0.81 | S | S | * | * | trans | -132.4 | 151.8 | -174 | -152.3 | 72.5 | 0 | 0 | 0 | 109.5 | ||||
| 422 | D | 39.6 | Very low | 36.8 | Very low | 142 Ų | 142 | 157.3 Ų | 157.3 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | 65.9 | 130.6 | -177.9 | -55.7 | -84.1 | 0 | 0 | 0 | 113.8 | ||||
| 423 | K | 32.5 | Very low | 37 | Very low | 274 Ų | 274 | 160.5 Ų | 160.5 | 100% | 1.191 | 82% | 0.82 | S | S | * | * | cis | -144.1 | 0 | 27.3 | -179.8 | 177.1 | 179.1 | -179.8 | 0 | 111.8 |
Retrieved 423 of 423 residues in 144.7 ms
(Link to these results)