| 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 | 40.9 | Very low | 33.4 | Very low | 245 Ų | 245 | 178.5 Ų | 178.5 | 100% | 1.207 | 90% | 0.897 | S | S | * | * | 0 | 105.3 | 0 | -84.4 | 166.4 | 90 | 0 | 0 | 107.7 | |||||
| 2 | T | 28.3 | Very low | 33.3 | Very low | 126 Ų | 126 | 177.3 Ų | 177.3 | 77% | 0.773 | 89% | 0.894 | S | S | * | * | trans | -121.7 | 120.4 | -163.6 | 21.6 | 0 | 0 | 0 | 0 | 110.4 | H4 | T2-H4 PolarHBondContact O-N 3.04Š| ||
| 3 | V | 32.8 | Very low | 32.9 | Very low | 144 Ų | 144 | 178 Ų | 178 | 87% | 0.873 | 89% | 0.892 | S | S | * | * | S | Bend | trans | 50.6 | 44.7 | 137.4 | -155.7 | 0 | 0 | 0 | 0 | 118.1 | ||
| 4 | H | 34.5 | Very low | 32.6 | Very low | 175 Ų | 175 | 176.4 Ų | 176.4 | 81% | 0.81 | 89% | 0.887 | S | S | * | * | S | Bend | trans | -125.6 | -6 | 165.8 | -135.1 | -46.3 | 0 | 0 | 0 | 116 | T2 | T2-H4 PolarHBondContact O-N 3.04Š|
| 5 | D | 38 | Very low | 32.6 | Very low | 167 Ų | 167 | 171.9 Ų | 171.9 | 89% | 0.893 | 88% | 0.875 | S | S | * | * | S | Bend | trans | -104.6 | 17.3 | -171.7 | -71.6 | -32 | 0 | 0 | 0 | 115.8 | ||
| 6 | K | 35.7 | Very low | 32.9 | Very low | 200 Ų | 200 | 169.1 Ų | 169.1 | 87% | 0.87 | 87% | 0.872 | S | S | * | * | S | Bend | trans | -110.5 | 16.2 | -171 | -132.4 | 178.7 | -174.3 | -178.2 | 0 | 117 | ||
| 7 | F | 32.8 | Very low | 32.6 | Very low | 214 Ų | 214 | 166.1 Ų | 166.1 | 94% | 0.939 | 87% | 0.869 | S | S | * | * | S | Bend | trans | -121.6 | 4.6 | -178.8 | -103.2 | -80.7 | 0 | 0 | 0 | 116.2 | ||
| 8 | L | 31 | Very low | 32.2 | Very low | 167 Ų | 167 | 165.2 Ų | 165.2 | 87% | 0.874 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -108 | 15.6 | -174.8 | -118.2 | 138.4 | 0 | 0 | 0 | 115 | ||
| 9 | Y | 31.5 | Very low | 31.9 | Very low | 234 Ų | 234 | 165.4 Ų | 165.4 | 92% | 0.918 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -130.7 | 31.1 | -172.2 | -108.6 | -83.2 | 0 | 0 | 0 | 115.4 | ||
| 10 | Q | 31.5 | Very low | 31.5 | Very low | 194 Ų | 194 | 163.2 Ų | 163.2 | 91% | 0.907 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -145.8 | 55.1 | 179.3 | -148.8 | 167.3 | 1.9 | 0 | 0 | 113.8 | ||
| 11 | A | 30.6 | Very low | 31.2 | Very low | 98 Ų | 98 | 162 Ų | 162 | 81% | 0.81 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -148.5 | 27.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 12 | L | 31.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 156.5 Ų | 156.5 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | trans | -141.8 | 131.9 | 174.4 | -96.4 | 140.6 | 0 | 0 | 0 | 109.1 | ||||
| 13 | Q | 28.2 | Very low | 30.4 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | trans | 95.9 | 120 | -179.1 | -61.4 | 169.3 | -18.4 | 0 | 0 | 113.1 | ||||
| 14 | L | 28.9 | Very low | 30 | Very low | 155 Ų | 155 | 158.3 Ų | 158.3 | 81% | 0.812 | 85% | 0.847 | S | S | * | * | cis | -169.6 | -170 | 24.4 | -90 | 143.5 | 0 | 0 | 0 | 107.5 | ||||
| 15 | P | 33.3 | Very low | 29.6 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 71% | 0.714 | 84% | 0.843 | S | S | * | * | -125.8 | -170.8 | -59.8 | 41 | -23.1 | 0 | 0 | 0 | 111.6 | |||||
| 16 | P | 36.9 | Very low | 29.1 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -95.8 | 156.5 | -169.7 | 36.9 | -28.6 | 0 | 0 | 0 | 113.9 | ||||
| 17 | S | 27.3 | Very low | 28.7 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -150.7 | 121.9 | 162.2 | 69.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 18 | D | 26.7 | Very low | 28.9 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | -63.1 | 142.7 | 167.4 | -67 | -52.6 | 0 | 0 | 0 | 112.2 | ||||
| 19 | N | 26.3 | Very low | 28.9 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | -176.8 | 138.4 | 124.9 | -92.6 | -27.4 | 0 | 0 | 0 | 113 | |||||
| 20 | C | 23.3 | Very low | 28.8 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -48.5 | 151 | 176.8 | -108.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 21 | V | 25.1 | Very low | 28.5 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | -174.2 | 128.1 | 107.3 | 165.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 22 | T | 27 | Very low | 28.4 | Very low | 131 Ų | 131 | 154.8 Ų | 154.8 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -67.2 | 135.2 | 167.4 | 43.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 23 | S | 24.6 | Very low | 28.4 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -152.9 | 122.3 | 145.5 | -163.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 24 | H | 25.7 | Very low | 28.5 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -62.9 | 138.7 | 166.3 | -89.4 | -107 | 0 | 0 | 0 | 111.3 | ||||
| 25 | A | 26.5 | Very low | 28.6 | Very low | 88 Ų | 88 | 148.7 Ų | 148.7 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -174.6 | 111.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 26 | L | 27.3 | Very low | 28.4 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | trans | 50.7 | 106.1 | 132.1 | -65.6 | 156.7 | 0 | 0 | 0 | 122.2 | ||||
| 27 | L | 26.9 | Very low | 28 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | 67.3 | 160.2 | 130.2 | -85.7 | 158.2 | 0 | 0 | 0 | 120.6 | ||||
| 28 | P | 36.9 | Very low | 28 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 71% | 0.714 | 82% | 0.822 | S | S | * | * | -116.4 | 155.8 | -124.7 | 39.1 | -24.1 | 0 | 0 | 0 | 114.1 | |||||
| 29 | R | 30.3 | Very low | 28.3 | Very low | 248 Ų | 248 | 147.2 Ų | 147.2 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | trans | -138.4 | 114.9 | 166.9 | -88.7 | -173.9 | 179.2 | 179.9 | 1.1 | 113.9 | ||||
| 30 | R | 29.9 | Very low | 28.4 | Very low | 231 Ų | 231 | 148.2 Ų | 148.2 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | 18.7 | 107.9 | 144.2 | -82.7 | 179.5 | 168.2 | 175.4 | -3.9 | 116.5 | K32 | R30-K32 PolarHBondContact O-N 3.43Š| ||
| 31 | M | 26.1 | Very low | 29 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 97% | 0.97 | 82% | 0.82 | S | S | * | * | trans | -71.5 | 94.3 | 159.4 | -146.8 | 172.1 | -174.4 | 0 | 0 | 108.7 | ||||
| 32 | K | 28.6 | Very low | 29.3 | Very low | 186 Ų | 186 | 148 Ų | 148 | 81% | 0.809 | 82% | 0.816 | S | S | * | * | trans | -64.8 | 132.9 | 165.9 | -83.6 | 179.6 | 175.8 | 178.8 | 0 | 108.5 | R30 | R30-K32 PolarHBondContact O-N 3.43Š| ||
| 33 | S | 30.3 | Very low | 29.8 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 64% | 0.636 | 82% | 0.82 | S | S | * | * | trans | -53 | 145.6 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | T35 | S33-T35 PolarHBondContact O-N 2.9Å; S33-T35 PolarHBondContact OG-OG1 3.22Å | ||
| 34 | I | 30 | Very low | 30.5 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -63.4 | 21.9 | -178.7 | -67.6 | 162.3 | 0 | 0 | 0 | 113.4 | A36 | I34-A36 VanDerWaalsContact C-N 3.35Š|
| 35 | T | 31.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | G | 310 helix | trans | -88.5 | 0.5 | -178.6 | -26 | 0 | 0 | 0 | 0 | 113.1 | S33 | S33-T35 PolarHBondContact O-N 2.9Å; S33-T35 PolarHBondContact OG-OG1 3.22Å |
| 36 | A | 28.9 | Very low | 32.4 | Very low | 93 Ų | 93 | 154.2 Ų | 154.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -101.4 | 5.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116 | I34 | I34-A36 VanDerWaalsContact C-N 3.35Š|
| 37 | C | 28.8 | Very low | 33.8 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -108.6 | 14.6 | -178.8 | -74 | 0 | 0 | 0 | 0 | 115.4 | ||
| 38 | M | 28.5 | Very low | 35.4 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -124.4 | 94.7 | 165.1 | -71.2 | -176.1 | 177 | 0 | 0 | 108.5 | F40 | M38-F40 VanDerWaalsContact C-N 3.31Å; M38-F40 PolarHBondContact O-N 3.09Å |
| 39 | G | 32 | Very low | 36.9 | Very low | 78 Ų | 78 | 154 Ų | 154 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -67.8 | 86.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 40 | F | 28.7 | Very low | 39.3 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -127 | 99.9 | 154.9 | -95.6 | -84.8 | 0 | 0 | 0 | 107.2 | M38 F42 | M38-F40 VanDerWaalsContact C-N 3.31Å; M38-F40 PolarHBondContact O-N 3.09Å; F40-F42 PolarHBondContact O-N 3.42Å; F40-F42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | G | 36.4 | Very low | 41.7 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -68.4 | 100.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 42 | F | 31 | Very low | 44.4 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -114 | 89.2 | 161.2 | -120 | -92.8 | 0 | 0 | 0 | 107.9 | F40 L44 | F40-F42 PolarHBondContact O-N 3.42Å; F40-F42 VanDerWaalsContact O-N 3.08Å; F42-L44 HydrophobicContact CD1-CB 4.2Å; F42-L44 HydrophobicContact CD1-CD1 4.03Å; F42-L44 HydrophobicContact CE1-CD1 3.94Å; F42-L44 PolarHBondContact O-N 3.36Å | ||
| 43 | S | 37.9 | Very low | 47.2 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -76.7 | 74.5 | 166.2 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 44 | L | 39.5 | Very low | 50 | Low | 135 Ų | 135 | 128.6 Ų | 128.6 | 71% | 0.707 | 71% | 0.712 | S | S | * | * | trans | -139.3 | 115.4 | 165.7 | -98.1 | 107.4 | 0 | 0 | 0 | 110.4 | F42 | F42-L44 HydrophobicContact CD1-CB 4.2Å; F42-L44 HydrophobicContact CD1-CD1 4.03Å; F42-L44 HydrophobicContact CE1-CD1 3.94Å; F42-L44 PolarHBondContact O-N 3.36Å | ||
| 45 | R | 41.3 | Very low | 52.9 | Low | 213 Ų | 213 | 124.4 Ų | 124.4 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | 75.2 | 67.3 | 150 | -157.5 | 171.7 | -128.8 | -131.4 | 1.5 | 117.9 | P48 | R45-P48 HydrophobicContact CG-CG 3.47Å; R45-P48 VanDerWaalsContact CG-CG 3.47Å | ||
| 46 | Q | 51 | Low | 55.7 | Low | 182 Ų | 182 | 124.1 Ų | 124.1 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | -88.8 | -21.9 | 169.6 | -117.7 | 166 | -3.6 | 0 | 0 | 114.5 | ||||
| 47 | E | 55.1 | Low | 58.7 | Low | 171 Ų | 171 | 125 Ų | 125 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.4 | -47.7 | -177 | -70.5 | -71.9 | 126.2 | 0 | 0 | 115.7 | W49 G50 A51 | E47-W49 PolarHBondContact O-N 3.03Å; E47-G50 PolarHBondContact O-N 2.96Å; E47-A51 PolarHBondContact O-N 3.17Å |
| 48 | P | 61.2 | Low | 61.7 | Low | 59 Ų | 59 | 124.2 Ų | 124.2 | 38% | 0.383 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -73 | -27.4 | -173.2 | 26.6 | -32.5 | 0 | 0 | 0 | 113.3 | R45 M52 | R45-P48 HydrophobicContact CG-CG 3.47Å; R45-P48 VanDerWaalsContact CG-CG 3.47Å; P48-M52 WeakPolarHBondContact O-CB 3.32Å; P48-M52 PolarHBondContact O-N 3.04Å |
| 49 | W | 68.9 | Low | 64.8 | Low | 191 Ų | 191 | 118.7 Ų | 118.7 | 72% | 0.723 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.6 | -35.7 | 178.9 | -169.9 | -96.9 | 0 | 0 | 0 | 111.9 | E47 K53 | E47-W49 PolarHBondContact O-N 3.03Å; W49-K53 WeakPolarHBondContact O-CB 2.98Å; W49-K53 PolarHBondContact O-N 2.91Å; W49-K53 VanDerWaalsContact O-N 3.07Å |
| 50 | G | 79.4 | Confident | 67.7 | Low | 35 Ų | 35 | 119.7 Ų | 119.7 | 36% | 0.361 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.1 | -48.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | E47 K53 T54 | E47-G50 PolarHBondContact O-N 2.96Å; G50-K53 PolarHBondContact O-N 3.36Å; G50-T54 PolarHBondContact O-N 3.35Å; G50-T54 VanDerWaalsContact O-N 3.14Å; G50-T54 PolarHBondContact O-OG1 3.44Å |
| 51 | A | 80.8 | Confident | 70.8 | Confident | 57 Ų | 57 | 113.1 Ų | 113.1 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -48.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E47 K53 T54 T55 | E47-A51 PolarHBondContact O-N 3.17Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.1Å; A51-T54 PolarHBondContact O-N 3.42Å; A51-T55 PolarHBondContact O-N 3.25Å; A51-T55 PolarHBondContact O-OG1 2.93Å; A51-T55 VanDerWaalsContact O-OG1 3.06Å |
| 52 | M | 81.9 | Confident | 73.5 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.2 | -42.7 | 179 | -177.1 | 178.6 | 168.6 | 0 | 0 | 112.4 | P48 T55 L56 | P48-M52 WeakPolarHBondContact O-CB 3.32Å; P48-M52 PolarHBondContact O-N 3.04Å; M52-T55 PolarHBondContact O-N 2.86Å; M52-L56 WeakPolarHBondContact O-CB 3Å; M52-L56 PolarHBondContact O-N 3.35Å |
| 53 | K | 87.9 | Confident | 76.6 | Confident | 120 Ų | 120 | 101.7 Ų | 101.7 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 177.9 | -178.6 | -177.3 | 175.6 | -171.9 | 0 | 111.9 | W49 G50 A51 L56 Q57 | W49-K53 WeakPolarHBondContact O-CB 2.98Å; W49-K53 PolarHBondContact O-N 2.91Å; W49-K53 VanDerWaalsContact O-N 3.07Å; G50-K53 PolarHBondContact O-N 3.36Å; A51-K53 VanDerWaalsContact C-N 3.34Å; A51-K53 PolarHBondContact O-N 3.1Å; K53-L56 PolarHBondContact O-N 3.06Å; K53-Q57 WeakPolarHBondContact O-CB 3.35Å; K53-Q57 VanDerWaalsContact O-CG 3.29Å; K53-Q57 WeakPolarHBondContact O-CG 3.19Å; K53-Q57 PolarHBondContact O-N 2.9Å |
| 54 | T | 90.4 | Very high | 79.2 | Confident | 89 Ų | 89 | 95.7 Ų | 95.7 | 55% | 0.546 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | -179.9 | -51 | 0 | 0 | 0 | 0 | 111 | G50 A51 L56 Q57 Y58 | G50-T54 PolarHBondContact O-N 3.35Å; G50-T54 VanDerWaalsContact O-N 3.14Å; G50-T54 PolarHBondContact O-OG1 3.44Å; A51-T54 PolarHBondContact O-N 3.42Å; T54-L56 PolarHBondContact O-N 3.25Å; T54-Q57 PolarHBondContact O-N 2.91Å; T54-Y58 PolarHBondContact O-N 3.11Å |
| 55 | T | 89.3 | Confident | 81.7 | Confident | 80 Ų | 80 | 91.7 Ų | 91.7 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 175 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | A51 M52 Q57 Y58 M59 | A51-T55 PolarHBondContact O-N 3.25Å; A51-T55 PolarHBondContact O-OG1 2.93Å; A51-T55 VanDerWaalsContact O-OG1 3.06Å; M52-T55 PolarHBondContact O-N 2.86Å; T55-Q57 VanDerWaalsContact C-N 3.32Å; T55-Q57 PolarHBondContact O-N 3.08Å; T55-Y58 PolarHBondContact O-N 3.14Å; T55-M59 HydrophobicContact CG2-CG 4.46Å; T55-M59 HydrophobicContact CG2-SD 4.11Å; T55-M59 WeakPolarHBondContact O-CB 3.44Å; T55-M59 VanDerWaalsContact O-CG 3.3Å; T55-M59 WeakPolarHBondContact O-CG 3.32Å; T55-M59 PolarHBondContact O-N 3.44Å |
| 56 | L | 90.5 | Very high | 84 | Confident | 112 Ų | 112 | 85.4 Ų | 85.4 | 59% | 0.586 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 179.2 | -158.6 | 77.6 | 0 | 0 | 0 | 112.1 | M52 K53 T54 W60 | M52-L56 WeakPolarHBondContact O-CB 3Å; M52-L56 PolarHBondContact O-N 3.35Å; K53-L56 PolarHBondContact O-N 3.06Å; T54-L56 PolarHBondContact O-N 3.25Å; L56-W60 VanDerWaalsContact O-CB 3.26Å; L56-W60 WeakPolarHBondContact O-CB 3.41Å; L56-W60 PolarHBondContact O-N 2.83Å |
| 57 | Q | 91.2 | Very high | 85.7 | Confident | 113 Ų | 113 | 82.3 Ų | 82.3 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 175.1 | -75.7 | 177.3 | -25 | 0 | 0 | 112 | K53 T54 T55 W60 D61 | K53-Q57 WeakPolarHBondContact O-CB 3.35Å; K53-Q57 VanDerWaalsContact O-CG 3.29Å; K53-Q57 WeakPolarHBondContact O-CG 3.19Å; K53-Q57 PolarHBondContact O-N 2.9Å; T54-Q57 PolarHBondContact O-N 2.91Å; T55-Q57 VanDerWaalsContact C-N 3.32Å; T55-Q57 PolarHBondContact O-N 3.08Å; Q57-W60 PolarHBondContact O-N 3.04Å; Q57-D61 PolarHBondContact O-N 2.68Å |
| 58 | Y | 92.8 | Very high | 87.3 | Confident | 108 Ų | 108 | 76.4 Ų | 76.4 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -50.9 | 174.6 | 171.8 | -103.6 | 0 | 0 | 0 | 111.2 | T54 T55 W60 D61 V62 T75 | T54-Y58 PolarHBondContact O-N 3.11Å; T55-Y58 PolarHBondContact O-N 3.14Å; Y58-W60 VanDerWaalsContact C-N 3.31Å; Y58-W60 PolarHBondContact O-N 2.81Å; Y58-D61 PolarHBondContact O-N 3.34Å; Y58-V62 HydrophobicContact CD2-CG2 4.26Å; Y58-V62 HydrophobicContact CE1-CG2 4.11Å; Y58-V62 HydrophobicContact CE2-CG2 3.83Å; Y58-V62 WeakPolarHBondContact O-CG2 3.37Å; Y58-V62 PolarHBondContact O-N 2.92Å; Y58-T75 HydrophobicContact CE1-CG2 4.36Å |
| 59 | M | 93 | Very high | 88.6 | Confident | 61 Ų | 61 | 76 Ų | 76 | 30% | 0.3 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55.1 | -44.2 | 176.2 | -79.1 | 179.2 | 114.9 | 0 | 0 | 112.6 | T55 Y63 M79 | T55-M59 HydrophobicContact CG2-CG 4.46Å; T55-M59 HydrophobicContact CG2-SD 4.11Å; T55-M59 WeakPolarHBondContact O-CB 3.44Å; T55-M59 VanDerWaalsContact O-CG 3.3Å; T55-M59 WeakPolarHBondContact O-CG 3.32Å; T55-M59 PolarHBondContact O-N 3.44Å; M59-Y63 VanDerWaalsContact O-CB 3.23Å; M59-Y63 WeakPolarHBondContact O-CB 3.28Å; M59-Y63 PolarHBondContact O-N 3.33Å; M59-M79 HydrophobicContact CB-CE 3.47Å; M59-M79 VanDerWaalsContact CB-CE 3.47Å; M59-M79 HydrophobicContact CE-CE 3.13Å; M59-M79 HydrophobicContact CE-SD 3.5Å; M59-M79 VanDerWaalsContact CE-SD 3.5Å; M59-M79 HydrophobicContact CG-CE 3.62Å; M59-M79 HydrophobicContact SD-CE 3.69Å |
| 60 | W | 94.4 | Very high | 89.5 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 178.7 | -179.8 | -94.3 | 0 | 0 | 0 | 113 | L56 Q57 Y58 Y63 S64 T132 V460 S463 F464 | L56-W60 VanDerWaalsContact O-CB 3.26Å; L56-W60 WeakPolarHBondContact O-CB 3.41Å; L56-W60 PolarHBondContact O-N 2.83Å; Q57-W60 PolarHBondContact O-N 3.04Å; Y58-W60 VanDerWaalsContact C-N 3.31Å; Y58-W60 PolarHBondContact O-N 2.81Å; W60-Y63 PolarHBondContact O-N 2.88Å; W60-S64 WeakPolarHBondContact O-CB 3.45Å; W60-S64 PolarHBondContact O-N 2.85Å; W60-S64 PolarHBondContact O-OG 3.48Å; W60-T132 HydrophobicContact CH2-CG2 3.74Å; W60-T132 HydrophobicContact CZ3-CG2 3.91Å; W60-V460 HydrophobicContact CH2-CG1 4.37Å; W60-V460 HydrophobicContact CH2-CG2 4Å; W60-V460 HydrophobicContact CZ2-CG2 4.33Å; W60-S463 PolarHBondContact NE1-OG 3.4Å; W60-F464 HydrophobicContact CH2-CE2 4.35Å; W60-F464 HydrophobicContact CZ2-CE2 4.39Å |
| 61 | D | 92.6 | Very high | 89.9 | Confident | 50 Ų | 50 | 78.9 Ų | 78.9 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.1 | -45 | 178.1 | -174.8 | 61.5 | 0 | 0 | 0 | 111.1 | Q57 Y58 Y63 S64 K65 K466 | Q57-D61 PolarHBondContact O-N 2.68Å; Y58-D61 PolarHBondContact O-N 3.34Å; D61-Y63 VanDerWaalsContact C-N 3.35Å; D61-Y63 PolarHBondContact O-N 3.21Å; D61-S64 PolarHBondContact O-N 3.33Å; D61-S64 PolarHBondContact O-OG 3.1Å; D61-K65 WeakPolarHBondContact O-CD 3.36Å; D61-K65 VanDerWaalsContact O-CG 3.25Å; D61-K65 WeakPolarHBondContact O-CG 3.43Å; D61-K65 PolarHBondContact O-N 3.36Å; D61-K65 VanDerWaalsContact O-N 3.13Å; D61-K65 WeakPolarHBondContact OD2-CE 3.44Å; D61-K65 IonicContact OD2-NZ 2.87Å; D61-K65 PolarHBondContact OD2-NZ 3.32Å; D61-K466 IonicContact OD1-NZ 2.71Å; D61-K466 PolarHBondContact OD1-NZ 3.05Å |
| 62 | V | 94.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56 | -49.7 | 171.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | Y58 S64 Q68 E72 T75 L76 | Y58-V62 HydrophobicContact CD2-CG2 4.26Å; Y58-V62 HydrophobicContact CE1-CG2 4.11Å; Y58-V62 HydrophobicContact CE2-CG2 3.83Å; Y58-V62 WeakPolarHBondContact O-CG2 3.37Å; Y58-V62 PolarHBondContact O-N 2.92Å; V62-S64 VanDerWaalsContact C-N 3.35Å; V62-S64 PolarHBondContact O-N 3.49Å; V62-Q68 PolarHBondContact O-NE2 3.13Å; V62-Q68 PolarHBondContact O-OE1 3.47Å; V62-E72 HydrophobicContact CG1-CB 4.12Å; V62-E72 HydrophobicContact CG2-CB 4.23Å; V62-E72 HydrophobicContact CG2-CG 4.03Å; V62-T75 HydrophobicContact CG1-CG2 4.2Å; V62-L76 HydrophobicContact CG1-CB 4.28Å |
| 63 | Y | 94.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 74.5 Ų | 74.5 | 6% | 0.055 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66 | -33.2 | -176.2 | -175.3 | -106.1 | 0 | 0 | 0 | 114 | M59 W60 D61 L76 M79 I83 R128 T132 F464 | M59-Y63 VanDerWaalsContact O-CB 3.23Å; M59-Y63 WeakPolarHBondContact O-CB 3.28Å; M59-Y63 PolarHBondContact O-N 3.33Å; W60-Y63 PolarHBondContact O-N 2.88Å; D61-Y63 VanDerWaalsContact C-N 3.35Å; D61-Y63 PolarHBondContact O-N 3.21Å; Y63-L76 HydrophobicContact CD2-CD1 3.84Å; Y63-L76 HydrophobicContact CE2-CD1 4.46Å; Y63-M79 HydrophobicContact CD2-CB 4.26Å; Y63-I83 HydrophobicContact CE2-CD1 3.82Å; Y63-I83 WeakPolarHBondContact OH-CD1 3.39Å; Y63-R128 HydrophobicContact CE1-CB 4.27Å; Y63-R128 HydrophobicContact CE2-CB 4.37Å; Y63-R128 HydrophobicContact CE2-CG 4.13Å; Y63-R128 PolarHBondContact O-NH1 2.98Å; Y63-R128 PolarHBondContact OH-O 2.85Å; Y63-T132 WeakPolarHBondContact CE1-OG1 3.3Å; Y63-F464 AromaticContact CD1-CZ 3.73Å; Y63-F464 HydrophobicContact CD1-CZ 3.73Å; Y63-F464 HydrophobicContact CE1-CE1 4.4Å; Y63-F464 AromaticContact CE1-CZ 3.62Å; Y63-F464 HydrophobicContact CE1-CZ 3.62Å |
| 64 | S | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -89.4 | -15.5 | -176.7 | 60 | 0 | 0 | 0 | 0 | 114.8 | W60 D61 V62 H125 S463 F464 | W60-S64 WeakPolarHBondContact O-CB 3.45Å; W60-S64 PolarHBondContact O-N 2.85Å; W60-S64 PolarHBondContact O-OG 3.48Å; D61-S64 PolarHBondContact O-N 3.33Å; D61-S64 PolarHBondContact O-OG 3.1Å; V62-S64 VanDerWaalsContact C-N 3.35Å; V62-S64 PolarHBondContact O-N 3.49Å; S64-H125 PolarHBondContact O-NE2 2.95Å; S64-S463 PolarHBondContact OG-OG 3.43Å; S64-S463 VanDerWaalsContact OG-OG 3.06Å; S64-F464 WeakPolarHBondContact O-CA 3.33Å |
| 65 | K | 91.7 | Very high | 91.5 | Very high | 51 Ų | 51 | 72.7 Ų | 72.7 | 22% | 0.222 | 39% | 0.388 | C | S | . | . | trans | -69.2 | 140.2 | 177.6 | -83.2 | 164.9 | 167.5 | 166.1 | 0 | 113 | D61 Q68 E72 H125 R128 | D61-K65 WeakPolarHBondContact O-CD 3.36Å; D61-K65 VanDerWaalsContact O-CG 3.25Å; D61-K65 WeakPolarHBondContact O-CG 3.43Å; D61-K65 PolarHBondContact O-N 3.36Å; D61-K65 VanDerWaalsContact O-N 3.13Å; D61-K65 WeakPolarHBondContact OD2-CE 3.44Å; D61-K65 IonicContact OD2-NZ 2.87Å; D61-K65 PolarHBondContact OD2-NZ 3.32Å; K65-Q68 PolarHBondContact O-NE2 3.44Å; K65-E72 IonicContact NZ-OE1 2.92Å; K65-E72 PolarHBondContact NZ-OE1 3.07Å; K65-H125 PolarHBondContact O-CD2 3.07Å; K65-R128 PolarHBondContact O-NH1 3.34Å; K65-R128 PolarHBondContact O-NH2 3.47Å | ||
| 66 | P | 89.6 | Confident | 91.7 | Very high | 80 Ų | 80 | 69 Ų | 69 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -71.9 | -50 | 177.6 | 27.6 | -32.3 | 0 | 0 | 0 | 112.6 | H125 | P66-H125 WeakPolarHBondContact CA-CD2 3.22Š|
| 67 | T | 87 | Confident | 92 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 72% | 0.724 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -103.4 | 141 | 176.7 | 49 | 0 | 0 | 0 | 0 | 110.1 | ||
| 68 | Q | 87.9 | Confident | 92.1 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | trans | -112.6 | 140.3 | -175.1 | -61.1 | -65 | -41 | 0 | 0 | 110.4 | V62 K65 V73 L76 | V62-Q68 PolarHBondContact O-NE2 3.13Å; V62-Q68 PolarHBondContact O-OE1 3.47Å; K65-Q68 PolarHBondContact O-NE2 3.44Å; Q68-V73 HydrophobicContact CB-CG2 4.14Å; Q68-L76 HydrophobicContact CG-CD2 3.65Å | ||
| 69 | A | 88.9 | Confident | 92.2 | Very high | 52 Ų | 52 | 61.5 Ų | 61.5 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | trans | -73.1 | 151.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | K71 E72 V73 | A69-K71 PolarHBondContact O-N 3.05Å; A69-E72 HydrophobicContact CB-CG 4.27Å; A69-E72 PolarHBondContact N-OE2 3.27Å; A69-E72 WeakPolarHBondContact O-CB 3.4Å; A69-E72 PolarHBondContact O-N 3.49Å; A69-V73 PolarHBondContact O-N 3.1Å | ||
| 70 | A | 87.7 | Confident | 92.3 | Very high | 94 Ų | 94 | 58.6 Ų | 58.6 | 78% | 0.777 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -52.3 | -36 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | E72 | A70-E72 VanDerWaalsContact C-N 3.3Å; A70-E72 PolarHBondContact O-N 2.94Å |
| 71 | K | 88.4 | Confident | 92.4 | Very high | 191 Ų | 191 | 59 Ų | 59 | 83% | 0.83 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.1 | -23.9 | 178.2 | -60.8 | -178.7 | -179 | -179.7 | 0 | 113.6 | A69 | A69-K71 PolarHBondContact O-N 3.05Å |
| 72 | E | 92.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -91.5 | -18.6 | -177 | -62.3 | 175.1 | 150.6 | 0 | 0 | 112 | V62 K65 A69 A70 L74 T75 L76 | V62-E72 HydrophobicContact CG1-CB 4.12Å; V62-E72 HydrophobicContact CG2-CB 4.23Å; V62-E72 HydrophobicContact CG2-CG 4.03Å; K65-E72 IonicContact NZ-OE1 2.92Å; K65-E72 PolarHBondContact NZ-OE1 3.07Å; A69-E72 HydrophobicContact CB-CG 4.27Å; A69-E72 PolarHBondContact N-OE2 3.27Å; A69-E72 WeakPolarHBondContact O-CB 3.4Å; A69-E72 PolarHBondContact O-N 3.49Å; A70-E72 VanDerWaalsContact C-N 3.3Å; A70-E72 PolarHBondContact O-N 2.94Å; E72-L74 PolarHBondContact O-N 3.43Å; E72-T75 WeakPolarHBondContact O-CB 3.5Å; E72-T75 PolarHBondContact O-N 2.97Å; E72-T75 VanDerWaalsContact O-N 3.08Å; E72-L76 PolarHBondContact O-N 3.28Å |
| 73 | V | 93.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 63 Ų | 63 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.4 | -46.2 | -176.8 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | Q68 A69 T75 L76 L77 F122 | Q68-V73 HydrophobicContact CB-CG2 4.14Å; A69-V73 PolarHBondContact O-N 3.1Å; V73-T75 VanDerWaalsContact C-N 3.27Å; V73-T75 PolarHBondContact O-N 2.98Å; V73-L76 PolarHBondContact O-N 3.25Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 PolarHBondContact O-N 2.93Å; V73-F122 HydrophobicContact CG1-CE2 4.13Å; V73-F122 HydrophobicContact CG1-CZ 3.89Å |
| 74 | L | 93.5 | Very high | 92.6 | Very high | 133 Ų | 133 | 62.4 Ų | 62.4 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 179.6 | -178.5 | 62.6 | 0 | 0 | 0 | 111.7 | E72 L77 S78 | E72-L74 PolarHBondContact O-N 3.43Å; L74-L77 PolarHBondContact O-N 3.03Å; L74-S78 WeakPolarHBondContact O-CB 3.41Å; L74-S78 PolarHBondContact O-N 3Å |
| 75 | T | 93.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 23% | 0.233 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | Y58 V62 E72 V73 S78 M79 | Y58-T75 HydrophobicContact CE1-CG2 4.36Å; V62-T75 HydrophobicContact CG1-CG2 4.2Å; E72-T75 WeakPolarHBondContact O-CB 3.5Å; E72-T75 PolarHBondContact O-N 2.97Å; E72-T75 VanDerWaalsContact O-N 3.08Å; V73-T75 VanDerWaalsContact C-N 3.27Å; V73-T75 PolarHBondContact O-N 2.98Å; T75-S78 PolarHBondContact O-N 3.48Å; T75-M79 VanDerWaalsContact O-CG 3.28Å; T75-M79 WeakPolarHBondContact O-CG 3.49Å; T75-M79 PolarHBondContact O-N 2.86Å; T75-M79 VanDerWaalsContact O-N 3.09Å |
| 76 | L | 94.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.1 | 179.1 | 63.5 | 0 | 0 | 0 | 111.8 | V62 Y63 Q68 E72 V73 S78 M79 C80 F122 | V62-L76 HydrophobicContact CG1-CB 4.28Å; Y63-L76 HydrophobicContact CD2-CD1 3.84Å; Y63-L76 HydrophobicContact CE2-CD1 4.46Å; Q68-L76 HydrophobicContact CG-CD2 3.65Å; E72-L76 PolarHBondContact O-N 3.28Å; V73-L76 PolarHBondContact O-N 3.25Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-S78 PolarHBondContact O-N 2.88Å; L76-M79 PolarHBondContact O-N 3.43Å; L76-C80 PolarHBondContact O-N 3.22Å; L76-C80 PolarHBondContact O-SG 3.38Å; L76-F122 HydrophobicContact CD2-CD2 4.13Å; L76-F122 HydrophobicContact CD2-CE2 4.22Å; L76-F122 HydrophobicContact CG-CD2 4.14Å; L76-F122 HydrophobicContact CG-CE2 4.38Å |
| 77 | L | 95.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 67 Ų | 67 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 178.9 | -178.6 | 64.2 | 0 | 0 | 0 | 111.2 | V73 L74 M79 C80 F81 L118 F122 | V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 PolarHBondContact O-N 2.93Å; L74-L77 PolarHBondContact O-N 3.03Å; L77-M79 VanDerWaalsContact C-N 3.34Å; L77-M79 PolarHBondContact O-N 3.03Å; L77-C80 PolarHBondContact O-N 3.29Å; L77-F81 WeakPolarHBondContact O-CB 3.41Å; L77-F81 PolarHBondContact O-N 2.97Å; L77-L118 HydrophobicContact CD1-CD1 4.18Å; L77-F122 HydrophobicContact CB-CD2 4.32Å; L77-F122 HydrophobicContact CB-CE2 4.08Å; L77-F122 HydrophobicContact CD1-CD2 4.12Å; L77-F122 HydrophobicContact CD1-CE2 4.34Å |
| 78 | S | 94.8 | Very high | 93.5 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 112 | L74 T75 L76 F81 I82 | L74-S78 WeakPolarHBondContact O-CB 3.41Å; L74-S78 PolarHBondContact O-N 3Å; T75-S78 PolarHBondContact O-N 3.48Å; L76-S78 VanDerWaalsContact C-N 3.34Å; L76-S78 PolarHBondContact O-N 2.88Å; S78-F81 WeakPolarHBondContact O-CB 3.46Å; S78-F81 PolarHBondContact O-N 2.94Å; S78-I82 WeakPolarHBondContact O-CG1 3.43Å; S78-I82 PolarHBondContact O-N 3.02Å |
| 79 | M | 94.3 | Very high | 93.8 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 177.8 | -68.2 | -68 | -126.3 | 0 | 0 | 112.7 | M59 Y63 T75 L76 L77 F81 I82 I83 | M59-M79 HydrophobicContact CB-CE 3.47Å; M59-M79 VanDerWaalsContact CB-CE 3.47Å; M59-M79 HydrophobicContact CE-CE 3.13Å; M59-M79 HydrophobicContact CE-SD 3.5Å; M59-M79 VanDerWaalsContact CE-SD 3.5Å; M59-M79 HydrophobicContact CG-CE 3.62Å; M59-M79 HydrophobicContact SD-CE 3.69Å; Y63-M79 HydrophobicContact CD2-CB 4.26Å; T75-M79 VanDerWaalsContact O-CG 3.28Å; T75-M79 WeakPolarHBondContact O-CG 3.49Å; T75-M79 PolarHBondContact O-N 2.86Å; T75-M79 VanDerWaalsContact O-N 3.09Å; L76-M79 PolarHBondContact O-N 3.43Å; L77-M79 VanDerWaalsContact C-N 3.34Å; L77-M79 PolarHBondContact O-N 3.03Å; M79-F81 VanDerWaalsContact C-N 3.29Å; M79-F81 PolarHBondContact O-N 3.27Å; M79-I82 PolarHBondContact O-N 3.44Å; M79-I83 WeakPolarHBondContact O-CG1 3.43Å; M79-I83 PolarHBondContact O-N 3.48Å; M79-I83 VanDerWaalsContact O-N 3.07Å |
| 80 | C | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 175.9 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | L76 L77 I83 A84 L118 | L76-C80 PolarHBondContact O-N 3.22Å; L76-C80 PolarHBondContact O-SG 3.38Å; L77-C80 PolarHBondContact O-N 3.29Å; C80-I83 PolarHBondContact O-N 3.11Å; C80-A84 VanDerWaalsContact O-CB 3.32Å; C80-A84 WeakPolarHBondContact O-CB 3.38Å; C80-A84 PolarHBondContact O-N 3.46Å; C80-L118 HydrophobicContact CB-CD1 3.8Å |
| 81 | F | 96.5 | Very high | 94.1 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 47% | 0.469 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 175.4 | -178.9 | -97 | 0 | 0 | 0 | 111.9 | L77 S78 M79 I83 A84 M85 L118 | L77-F81 WeakPolarHBondContact O-CB 3.41Å; L77-F81 PolarHBondContact O-N 2.97Å; S78-F81 WeakPolarHBondContact O-CB 3.46Å; S78-F81 PolarHBondContact O-N 2.94Å; M79-F81 VanDerWaalsContact C-N 3.29Å; M79-F81 PolarHBondContact O-N 3.27Å; F81-I83 VanDerWaalsContact C-N 3.35Å; F81-I83 PolarHBondContact O-N 2.89Å; F81-A84 PolarHBondContact O-N 3.4Å; F81-M85 HydrophobicContact CD1-CG 4.1Å; F81-M85 HydrophobicContact CD2-CG 4.44Å; F81-M85 HydrophobicContact CE1-CG 3.65Å; F81-M85 HydrophobicContact CE2-CG 4.03Å; F81-M85 HydrophobicContact CE2-SD 4.26Å; F81-M85 HydrophobicContact CG-CG 4.47Å; F81-M85 HydrophobicContact CZ-CG 3.62Å; F81-M85 HydrophobicContact CZ-SD 3.97Å; F81-M85 WeakPolarHBondContact O-CB 3.38Å; F81-M85 WeakPolarHBondContact O-CG 3.34Å; F81-M85 PolarHBondContact O-N 2.97Å; F81-L118 HydrophobicContact CB-CD1 4.08Å; F81-L118 HydrophobicContact CD2-CD2 4.12Å |
| 82 | I | 95.3 | Very high | 94.4 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 45% | 0.446 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.2 | -66.9 | 166.4 | 0 | 0 | 0 | 110.6 | S78 M79 A84 M85 V86 | S78-I82 WeakPolarHBondContact O-CG1 3.43Å; S78-I82 PolarHBondContact O-N 3.02Å; M79-I82 PolarHBondContact O-N 3.44Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 2.95Å; I82-M85 PolarHBondContact O-N 3Å; I82-V86 HydrophobicContact CG2-CG2 4.32Å; I82-V86 WeakPolarHBondContact O-CB 3.31Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.44Å; I82-V86 PolarHBondContact O-N 3.48Å |
| 83 | I | 93.7 | Very high | 94.3 | Very high | 49 Ų | 49 | 60 Ų | 60 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 178.2 | -67.2 | 168.5 | 0 | 0 | 0 | 111 | Y63 M79 C80 F81 T87 | Y63-I83 HydrophobicContact CE2-CD1 3.82Å; Y63-I83 WeakPolarHBondContact OH-CD1 3.39Å; M79-I83 WeakPolarHBondContact O-CG1 3.43Å; M79-I83 PolarHBondContact O-N 3.48Å; M79-I83 VanDerWaalsContact O-N 3.07Å; C80-I83 PolarHBondContact O-N 3.11Å; F81-I83 VanDerWaalsContact C-N 3.35Å; F81-I83 PolarHBondContact O-N 2.89Å; I83-T87 HydrophobicContact CG2-CG2 4.47Å; I83-T87 WeakPolarHBondContact O-CB 3.45Å; I83-T87 WeakPolarHBondContact O-CG2 3.47Å; I83-T87 PolarHBondContact O-N 2.88Å; I83-T87 PolarHBondContact O-OG1 3.14Å |
| 84 | A | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C80 F81 I82 T87 G88 S114 I117 L118 | C80-A84 VanDerWaalsContact O-CB 3.32Å; C80-A84 WeakPolarHBondContact O-CB 3.38Å; C80-A84 PolarHBondContact O-N 3.46Å; F81-A84 PolarHBondContact O-N 3.4Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 2.95Å; A84-T87 PolarHBondContact O-N 3.27Å; A84-T87 PolarHBondContact O-OG1 3.02Å; A84-G88 PolarHBondContact O-N 3.38Å; A84-S114 WeakPolarHBondContact CB-O 3.46Å; A84-I117 HydrophobicContact CB-CB 4.49Å; A84-I117 HydrophobicContact CB-CG2 4.19Å; A84-L118 HydrophobicContact CB-CB 3.88Å |
| 85 | M | 96.3 | Very high | 93.7 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 178.8 | -73 | -60 | -64.6 | 0 | 0 | 112.4 | F81 I82 G88 G89 | F81-M85 HydrophobicContact CD1-CG 4.1Å; F81-M85 HydrophobicContact CD2-CG 4.44Å; F81-M85 HydrophobicContact CE1-CG 3.65Å; F81-M85 HydrophobicContact CE2-CG 4.03Å; F81-M85 HydrophobicContact CE2-SD 4.26Å; F81-M85 HydrophobicContact CG-CG 4.47Å; F81-M85 HydrophobicContact CZ-CG 3.62Å; F81-M85 HydrophobicContact CZ-SD 3.97Å; F81-M85 WeakPolarHBondContact O-CB 3.38Å; F81-M85 WeakPolarHBondContact O-CG 3.34Å; F81-M85 PolarHBondContact O-N 2.97Å; I82-M85 PolarHBondContact O-N 3Å; M85-G88 PolarHBondContact O-N 2.97Å; M85-G89 PolarHBondContact O-N 3.41Å |
| 86 | V | 95.1 | Very high | 93.6 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | I82 L90 | I82-V86 HydrophobicContact CG2-CG2 4.32Å; I82-V86 WeakPolarHBondContact O-CB 3.31Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.44Å; I82-V86 PolarHBondContact O-N 3.48Å; V86-L90 HydrophobicContact CG1-CD1 4.29Å; V86-L90 WeakPolarHBondContact O-CG 3.34Å; V86-L90 PolarHBondContact O-N 2.93Å; V86-L90 VanDerWaalsContact O-N 3.12Å |
| 87 | T | 93 | Very high | 93.1 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.4 | -33.6 | -178.8 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | I83 A84 L90 L91 | I83-T87 HydrophobicContact CG2-CG2 4.47Å; I83-T87 WeakPolarHBondContact O-CB 3.45Å; I83-T87 WeakPolarHBondContact O-CG2 3.47Å; I83-T87 PolarHBondContact O-N 2.88Å; I83-T87 PolarHBondContact O-OG1 3.14Å; A84-T87 PolarHBondContact O-N 3.27Å; A84-T87 PolarHBondContact O-OG1 3.02Å; T87-L90 PolarHBondContact O-N 3.26Å; T87-L91 PolarHBondContact O-N 3.15Å |
| 88 | G | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A84 M85 L90 L91 Y92 S114 | A84-G88 PolarHBondContact O-N 3.38Å; M85-G88 PolarHBondContact O-N 2.97Å; G88-L90 VanDerWaalsContact C-N 3.32Å; G88-L90 PolarHBondContact O-N 3.44Å; G88-L91 WeakPolarHBondContact O-CB 3.39Å; G88-L91 PolarHBondContact O-N 3.33Å; G88-Y92 PolarHBondContact O-N 3.38Å; G88-S114 VanDerWaalsContact CA-OG 3.23Å; G88-S114 WeakPolarHBondContact CA-OG 3.29Å |
| 89 | G | 94.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 59 Ų | 59 | 43% | 0.433 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M85 Y92 H93 | M85-G89 PolarHBondContact O-N 3.41Å; G89-Y92 PolarHBondContact O-N 2.72Å; G89-H93 WeakPolarHBondContact O-CB 3.16Å; G89-H93 PolarHBondContact O-N 3.47Å |
| 90 | L | 92.1 | Very high | 91.1 | Very high | 117 Ų | 117 | 66.6 Ų | 66.6 | 61% | 0.613 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 173.1 | -72.5 | 170 | 0 | 0 | 0 | 112 | V86 T87 G88 W94 | V86-L90 HydrophobicContact CG1-CD1 4.29Å; V86-L90 WeakPolarHBondContact O-CG 3.34Å; V86-L90 PolarHBondContact O-N 2.93Å; V86-L90 VanDerWaalsContact O-N 3.12Å; T87-L90 PolarHBondContact O-N 3.26Å; G88-L90 VanDerWaalsContact C-N 3.32Å; G88-L90 PolarHBondContact O-N 3.44Å; L90-W94 VanDerWaalsContact O-CB 3.25Å; L90-W94 WeakPolarHBondContact O-CB 3.35Å; L90-W94 PolarHBondContact O-N 2.69Å |
| 91 | L | 91.8 | Very high | 90.6 | Very high | 35 Ų | 35 | 73 Ų | 73 | 18% | 0.183 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.2 | 178.8 | 61 | 0 | 0 | 0 | 111.6 | T87 G88 W94 M95 Y113 | T87-L91 PolarHBondContact O-N 3.15Å; G88-L91 WeakPolarHBondContact O-CB 3.39Å; G88-L91 PolarHBondContact O-N 3.33Å; L91-W94 HydrophobicContact CD1-CE3 3.7Å; L91-W94 HydrophobicContact CD1-CZ3 4.05Å; L91-W94 PolarHBondContact O-N 3.4Å; L91-M95 HydrophobicContact CD1-CG 4.21Å; L91-M95 HydrophobicContact CD1-SD 4.33Å; L91-M95 HydrophobicContact CG-SD 4.39Å; L91-M95 WeakPolarHBondContact O-CG 3.42Å; L91-M95 PolarHBondContact O-N 3.09Å; L91-Y113 HydrophobicContact CB-CD1 4.48Å; L91-Y113 HydrophobicContact CD2-CD1 3.68Å; L91-Y113 HydrophobicContact CD2-CD2 3.95Å; L91-Y113 HydrophobicContact CD2-CE1 4.39Å; L91-Y113 HydrophobicContact CD2-CG 3.43Å; L91-Y113 VanDerWaalsContact CD2-CG 3.43Å |
| 92 | Y | 94 | Very high | 90.4 | Very high | 80 Ų | 80 | 73.1 Ų | 73.1 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 176.1 | 176.7 | -101.7 | 0 | 0 | 0 | 111.4 | G88 G89 W94 M95 T96 S103 A110 | G88-Y92 PolarHBondContact O-N 3.38Å; G89-Y92 PolarHBondContact O-N 2.72Å; Y92-W94 VanDerWaalsContact C-N 3.26Å; Y92-W94 PolarHBondContact O-N 2.96Å; Y92-M95 PolarHBondContact O-N 3.05Å; Y92-M95 VanDerWaalsContact O-N 3.13Å; Y92-T96 PolarHBondContact O-N 2.98Å; Y92-T96 PolarHBondContact O-OG1 3.29Å; Y92-S103 PolarHBondContact OH-OG 3Å; Y92-A110 HydrophobicContact CD2-CB 4.44Å |
| 93 | H | 90.8 | Very high | 90.2 | Very high | 108 Ų | 108 | 71.8 Ų | 71.8 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 177.5 | -176.7 | -74.7 | 0 | 0 | 0 | 111.4 | G89 E97 | G89-H93 WeakPolarHBondContact O-CB 3.16Å; G89-H93 PolarHBondContact O-N 3.47Å; H93-E97 VanDerWaalsContact O-CB 3.31Å; H93-E97 WeakPolarHBondContact O-CB 3.32Å; H93-E97 PolarHBondContact O-N 3.29Å |
| 94 | W | 87.4 | Confident | 90.2 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 19% | 0.193 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -66.5 | -36.4 | 177.2 | -176.2 | 49.1 | 0 | 0 | 0 | 112.6 | L90 L91 Y92 I98 L99 A266 | L90-W94 VanDerWaalsContact O-CB 3.25Å; L90-W94 WeakPolarHBondContact O-CB 3.35Å; L90-W94 PolarHBondContact O-N 2.69Å; L91-W94 HydrophobicContact CD1-CE3 3.7Å; L91-W94 HydrophobicContact CD1-CZ3 4.05Å; L91-W94 PolarHBondContact O-N 3.4Å; Y92-W94 VanDerWaalsContact C-N 3.26Å; Y92-W94 PolarHBondContact O-N 2.96Å; W94-I98 VanDerWaalsContact CD1-CG2 3.41Å; W94-I98 HydrophobicContact CG-CB 4.43Å; W94-I98 HydrophobicContact CG-CD1 4.46Å; W94-I98 CarbonylContact O-C 3.56Å; W94-I98 VanDerWaalsContact O-C 3.29Å; W94-I98 WeakPolarHBondContact O-CA 3.4Å; W94-I98 WeakPolarHBondContact O-CB 3.32Å; W94-I98 PolarHBondContact O-N 3.16Å; W94-L99 PolarHBondContact O-N 2.81Å; W94-A266 VanDerWaalsContact CH2-CA 3.41Å; W94-A266 HydrophobicContact CH2-CB 3.26Å; W94-A266 HydrophobicContact CZ2-CB 3.44Å; W94-A266 VanDerWaalsContact CZ2-CB 3.44Å |
| 95 | M | 87.7 | Confident | 90 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 14% | 0.138 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -72.7 | -44.4 | 175.7 | -72.3 | -172.8 | 63.3 | 0 | 0 | 113.1 | L91 Y92 L99 R100 Y101 S106 A109 | L91-M95 HydrophobicContact CD1-CG 4.21Å; L91-M95 HydrophobicContact CD1-SD 4.33Å; L91-M95 HydrophobicContact CG-SD 4.39Å; L91-M95 WeakPolarHBondContact O-CG 3.42Å; L91-M95 PolarHBondContact O-N 3.09Å; Y92-M95 PolarHBondContact O-N 3.05Å; Y92-M95 VanDerWaalsContact O-N 3.13Å; M95-L99 HydrophobicContact CG-CD1 4.33Å; M95-L99 CarbonylContact O-C 3.29Å; M95-L99 WeakPolarHBondContact O-CA 3.49Å; M95-L99 WeakPolarHBondContact O-CB 3.33Å; M95-L99 PolarHBondContact O-N 2.62Å; M95-L99 VanDerWaalsContact O-N 3.16Å; M95-R100 PolarHBondContact O-N 3.09Å; M95-R100 VanDerWaalsContact O-N 3.09Å; M95-Y101 HydrophobicContact CE-CD2 4.2Å; M95-Y101 HydrophobicContact CE-CG 4.35Å; M95-Y101 PolarHBondContact O-N 3Å; M95-Y101 VanDerWaalsContact O-N 3.14Å; M95-S106 WeakPolarHBondContact CB-OG 3.35Å; M95-A109 HydrophobicContact CE-CB 3.92Å; M95-A109 HydrophobicContact SD-CB 3.71Å |
| 96 | T | 89.8 | Confident | 90 | Very high | 31 Ų | 31 | 69.6 Ų | 69.6 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -75.4 | -57.7 | -176.1 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | Y92 R100 S106 | Y92-T96 PolarHBondContact O-N 2.98Å; Y92-T96 PolarHBondContact O-OG1 3.29Å; T96-R100 VanDerWaalsContact O-CA 3.23Å; T96-R100 WeakPolarHBondContact O-CA 3.34Å; T96-R100 PolarHBondContact O-N 2.78Å; T96-S106 WeakPolarHBondContact OG1-CB 3.48Å |
| 97 | E | 84.8 | Confident | 89.9 | Confident | 120 Ų | 120 | 68 Ų | 68 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | I | π-helix | trans | -77.5 | -42.3 | -175 | -62.8 | -59.8 | 146.5 | 0 | 0 | 111.3 | H93 | H93-E97 VanDerWaalsContact O-CB 3.31Å; H93-E97 WeakPolarHBondContact O-CB 3.32Å; H93-E97 PolarHBondContact O-N 3.29Å |
| 98 | I | 78.5 | Confident | 90.1 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | I | π-helix | trans | -97.8 | -22.2 | -169.5 | -59.5 | 164.7 | 0 | 0 | 0 | 111.8 | W94 R262 | W94-I98 VanDerWaalsContact CD1-CG2 3.41Å; W94-I98 HydrophobicContact CG-CB 4.43Å; W94-I98 HydrophobicContact CG-CD1 4.46Å; W94-I98 CarbonylContact O-C 3.56Å; W94-I98 VanDerWaalsContact O-C 3.29Å; W94-I98 WeakPolarHBondContact O-CA 3.4Å; W94-I98 WeakPolarHBondContact O-CB 3.32Å; W94-I98 PolarHBondContact O-N 3.16Å; I98-R262 HydrophobicContact CG2-CB 4.37Å; I98-R262 HydrophobicContact CG2-CG 3.67Å; I98-R262 WeakPolarHBondContact O-CD 3.43Å; I98-R262 WeakPolarHBondContact O-CG 3.33Å; I98-R262 PolarHBondContact O-NE 3.24Å; I98-R262 PolarHBondContact O-NH1 2.88Å; I98-R262 PolarHBondContact O-NH2 2.93Å; I98-R262 VanDerWaalsContact O-NH2 3.14Å |
| 99 | L | 80.8 | Confident | 90 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -108.8 | -8.6 | 172.2 | -69.4 | 163.4 | 0 | 0 | 0 | 112.7 | W94 M95 Y101 R262 | W94-L99 PolarHBondContact O-N 2.81Å; M95-L99 HydrophobicContact CG-CD1 4.33Å; M95-L99 CarbonylContact O-C 3.29Å; M95-L99 WeakPolarHBondContact O-CA 3.49Å; M95-L99 WeakPolarHBondContact O-CB 3.33Å; M95-L99 PolarHBondContact O-N 2.62Å; M95-L99 VanDerWaalsContact O-N 3.16Å; L99-Y101 HydrophobicContact CB-CD2 3.44Å; L99-Y101 VanDerWaalsContact CB-CD2 3.44Å; L99-Y101 HydrophobicContact CB-CE2 3.72Å; L99-Y101 HydrophobicContact CD1-CD2 4.29Å; L99-Y101 HydrophobicContact CD1-CE2 4.13Å; L99-Y101 HydrophobicContact CG-CD2 4.45Å; L99-Y101 HydrophobicContact CG-CE2 4.4Å; L99-Y101 PolarHBondContact O-N 3.39Å; L99-R262 HydrophobicContact CD2-CB 3.89Å; L99-R262 HydrophobicContact CD2-CG 4.49Å; L99-R262 PolarHBondContact O-NH1 3.44Å |
| 100 | R | 84.3 | Confident | 90.1 | Very high | 198 Ų | 198 | 70.2 Ų | 70.2 | 75% | 0.747 | 36% | 0.363 | S | S | * | . | trans | 56.8 | 32.6 | -177.5 | -58.5 | 180 | 73.6 | 173.9 | 3.9 | 112.5 | M95 T96 | M95-R100 PolarHBondContact O-N 3.09Å; M95-R100 VanDerWaalsContact O-N 3.09Å; T96-R100 VanDerWaalsContact O-CA 3.23Å; T96-R100 WeakPolarHBondContact O-CA 3.34Å; T96-R100 PolarHBondContact O-N 2.78Å | ||
| 101 | Y | 85 | Confident | 90.3 | Very high | 134 Ų | 134 | 68.2 Ų | 68.2 | 53% | 0.525 | 36% | 0.358 | S | S | . | . | trans | -73.2 | 154.3 | 168.9 | -82 | -75.3 | 0 | 0 | 0 | 110.6 | M95 L99 S106 | M95-Y101 HydrophobicContact CE-CD2 4.2Å; M95-Y101 HydrophobicContact CE-CG 4.35Å; M95-Y101 PolarHBondContact O-N 3Å; M95-Y101 VanDerWaalsContact O-N 3.14Å; L99-Y101 HydrophobicContact CB-CD2 3.44Å; L99-Y101 VanDerWaalsContact CB-CD2 3.44Å; L99-Y101 HydrophobicContact CB-CE2 3.72Å; L99-Y101 HydrophobicContact CD1-CD2 4.29Å; L99-Y101 HydrophobicContact CD1-CE2 4.13Å; L99-Y101 HydrophobicContact CG-CD2 4.45Å; L99-Y101 HydrophobicContact CG-CE2 4.4Å; L99-Y101 PolarHBondContact O-N 3.39Å; Y101-S106 WeakPolarHBondContact CB-OG 3.4Å | ||
| 102 | D | 91.4 | Very high | 90.5 | Very high | 110 Ų | 110 | 71.6 Ų | 71.6 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | trans | -58.1 | 144.8 | 174.5 | 176.9 | 66.9 | 0 | 0 | 0 | 111.3 | G104 T105 S106 | D102-G104 VanDerWaalsContact C-N 3.27Å; D102-G104 PolarHBondContact O-N 3.09Å; D102-G104 WeakPolarHBondContact OD2-CA 3.48Å; D102-G104 PolarHBondContact OD2-N 2.97Å; D102-T105 HydrophobicContact CB-CG2 4.38Å; D102-T105 PolarHBondContact O-N 3.18Å; D102-T105 PolarHBondContact O-OG1 3.03Å; D102-S106 WeakPolarHBondContact O-CB 3.23Å; D102-S106 PolarHBondContact O-N 3.31Å; D102-S106 PolarHBondContact O-OG 3.26Å | ||
| 103 | S | 92.1 | Very high | 90.6 | Very high | 58 Ų | 58 | 71.6 Ų | 71.6 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -35.9 | -176 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | Y92 S107 | Y92-S103 PolarHBondContact OH-OG 3Å; S103-S107 WeakPolarHBondContact O-CB 3.46Å; S103-S107 PolarHBondContact O-N 3.29Å |
| 104 | G | 93.9 | Very high | 90.9 | Very high | 39 Ų | 39 | 67.3 Ų | 67.3 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D102 T108 | D102-G104 VanDerWaalsContact C-N 3.27Å; D102-G104 PolarHBondContact O-N 3.09Å; D102-G104 WeakPolarHBondContact OD2-CA 3.48Å; D102-G104 PolarHBondContact OD2-N 2.97Å; G104-T108 WeakPolarHBondContact O-CB 3.46Å; G104-T108 PolarHBondContact O-N 2.93Å; G104-T108 PolarHBondContact O-OG1 3.11Å |
| 105 | T | 92.2 | Very high | 91.4 | Very high | 72 Ų | 72 | 68.6 Ų | 68.6 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.9 | 63 | 0 | 0 | 0 | 0 | 112 | D102 T108 A109 | D102-T105 HydrophobicContact CB-CG2 4.38Å; D102-T105 PolarHBondContact O-N 3.18Å; D102-T105 PolarHBondContact O-OG1 3.03Å; T105-T108 PolarHBondContact O-N 2.98Å; T105-A109 WeakPolarHBondContact O-CB 3.38Å; T105-A109 PolarHBondContact O-N 3.06Å |
| 106 | S | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | M95 T96 Y101 D102 A110 | M95-S106 WeakPolarHBondContact CB-OG 3.35Å; T96-S106 WeakPolarHBondContact OG1-CB 3.48Å; Y101-S106 WeakPolarHBondContact CB-OG 3.4Å; D102-S106 WeakPolarHBondContact O-CB 3.23Å; D102-S106 PolarHBondContact O-N 3.31Å; D102-S106 PolarHBondContact O-OG 3.26Å; S106-A110 VanDerWaalsContact O-CB 3.29Å; S106-A110 WeakPolarHBondContact O-CB 3.18Å; S106-A110 PolarHBondContact O-N 2.94Å |
| 107 | S | 94.9 | Very high | 92.1 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | S103 A109 A110 C111 | S103-S107 WeakPolarHBondContact O-CB 3.46Å; S103-S107 PolarHBondContact O-N 3.29Å; S107-A109 PolarHBondContact O-N 3Å; S107-A110 PolarHBondContact O-N 3.01Å; S107-C111 WeakPolarHBondContact O-CB 3.25Å; S107-C111 PolarHBondContact O-N 2.71Å; S107-C111 PolarHBondContact O-SG 3.41Å; S107-C111 VanDerWaalsContact O-SG 3.35Å |
| 108 | T | 95.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 64.9 Ų | 64.9 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 178.7 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | G104 T105 C111 I112 | G104-T108 WeakPolarHBondContact O-CB 3.46Å; G104-T108 PolarHBondContact O-N 2.93Å; G104-T108 PolarHBondContact O-OG1 3.11Å; T105-T108 PolarHBondContact O-N 2.98Å; T108-C111 PolarHBondContact O-N 2.79Å; T108-I112 HydrophobicContact CG2-CD1 3.98Å; T108-I112 WeakPolarHBondContact O-CG1 3.46Å; T108-I112 PolarHBondContact O-N 3.43Å |
| 109 | A | 94.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M95 T105 S107 I112 Y113 | M95-A109 HydrophobicContact CE-CB 3.92Å; M95-A109 HydrophobicContact SD-CB 3.71Å; T105-A109 WeakPolarHBondContact O-CB 3.38Å; T105-A109 PolarHBondContact O-N 3.06Å; S107-A109 PolarHBondContact O-N 3Å; A109-I112 PolarHBondContact O-N 3.18Å; A109-Y113 WeakPolarHBondContact O-CB 3.42Å; A109-Y113 PolarHBondContact O-N 2.87Å |
| 110 | A | 96.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y92 S106 S107 Y113 S114 | Y92-A110 HydrophobicContact CD2-CB 4.44Å; S106-A110 VanDerWaalsContact O-CB 3.29Å; S106-A110 WeakPolarHBondContact O-CB 3.18Å; S106-A110 PolarHBondContact O-N 2.94Å; S107-A110 PolarHBondContact O-N 3.01Å; A110-Y113 PolarHBondContact O-N 2.63Å; A110-S114 WeakPolarHBondContact O-CB 3.5Å; A110-S114 PolarHBondContact O-N 3.19Å; A110-S114 PolarHBondContact O-OG 3.32Å |
| 111 | C | 96.6 | Very high | 94.6 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 174.8 | -76 | 0 | 0 | 0 | 0 | 111.7 | S107 T108 Y113 S114 V115 | S107-C111 WeakPolarHBondContact O-CB 3.25Å; S107-C111 PolarHBondContact O-N 2.71Å; S107-C111 PolarHBondContact O-SG 3.41Å; S107-C111 VanDerWaalsContact O-SG 3.35Å; T108-C111 PolarHBondContact O-N 2.79Å; C111-Y113 VanDerWaalsContact C-N 3.31Å; C111-Y113 PolarHBondContact O-N 3.48Å; C111-S114 PolarHBondContact O-N 3.27Å; C111-V115 WeakPolarHBondContact O-CG2 3.42Å; C111-V115 PolarHBondContact O-N 2.9Å |
| 112 | I | 96.8 | Very high | 95 | Very high | 107 Ų | 107 | 56.3 Ų | 56.3 | 55% | 0.549 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 177.6 | -67.9 | 167.2 | 0 | 0 | 0 | 110.4 | T108 A109 S116 | T108-I112 HydrophobicContact CG2-CD1 3.98Å; T108-I112 WeakPolarHBondContact O-CG1 3.46Å; T108-I112 PolarHBondContact O-N 3.43Å; A109-I112 PolarHBondContact O-N 3.18Å; I112-S116 WeakPolarHBondContact O-CB 3.48Å; I112-S116 PolarHBondContact O-N 3.4Å; I112-S116 PolarHBondContact O-OG 3.23Å |
| 113 | Y | 95.7 | Very high | 95.1 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.4 | 170.1 | -93.6 | 0 | 0 | 0 | 112 | L91 A109 A110 C111 V115 S116 I117 | L91-Y113 HydrophobicContact CB-CD1 4.48Å; L91-Y113 HydrophobicContact CD2-CD1 3.68Å; L91-Y113 HydrophobicContact CD2-CD2 3.95Å; L91-Y113 HydrophobicContact CD2-CE1 4.39Å; L91-Y113 HydrophobicContact CD2-CG 3.43Å; L91-Y113 VanDerWaalsContact CD2-CG 3.43Å; A109-Y113 WeakPolarHBondContact O-CB 3.42Å; A109-Y113 PolarHBondContact O-N 2.87Å; A110-Y113 PolarHBondContact O-N 2.63Å; C111-Y113 VanDerWaalsContact C-N 3.31Å; C111-Y113 PolarHBondContact O-N 3.48Å; Y113-V115 PolarHBondContact O-N 3.31Å; Y113-S116 WeakPolarHBondContact O-CB 3.38Å; Y113-S116 PolarHBondContact O-N 2.92Å; Y113-I117 HydrophobicContact CD1-CG1 4.3Å; Y113-I117 HydrophobicContact CD2-CG1 4.11Å; Y113-I117 HydrophobicContact CE1-CG1 3.84Å; Y113-I117 HydrophobicContact CE2-CD1 3.99Å; Y113-I117 HydrophobicContact CE2-CG1 3.64Å; Y113-I117 HydrophobicContact CG-CG1 4.42Å; Y113-I117 VanDerWaalsContact CZ-CG1 3.49Å; Y113-I117 WeakPolarHBondContact O-CG1 3.3Å; Y113-I117 PolarHBondContact O-N 3.29Å |
| 114 | S | 96.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | -177.7 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | A84 G88 A110 C111 S116 I117 L118 | A84-S114 WeakPolarHBondContact CB-O 3.46Å; G88-S114 VanDerWaalsContact CA-OG 3.23Å; G88-S114 WeakPolarHBondContact CA-OG 3.29Å; A110-S114 WeakPolarHBondContact O-CB 3.5Å; A110-S114 PolarHBondContact O-N 3.19Å; A110-S114 PolarHBondContact O-OG 3.32Å; C111-S114 PolarHBondContact O-N 3.27Å; S114-S116 VanDerWaalsContact C-N 3.32Å; S114-S116 PolarHBondContact O-N 3.27Å; S114-I117 PolarHBondContact O-N 3.35Å; S114-L118 WeakPolarHBondContact O-CB 3.32Å; S114-L118 PolarHBondContact O-N 3.48Å |
| 115 | V | 97.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 47% | 0.467 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | C111 Y113 L118 F119 | C111-V115 WeakPolarHBondContact O-CG2 3.42Å; C111-V115 PolarHBondContact O-N 2.9Å; Y113-V115 PolarHBondContact O-N 3.31Å; V115-L118 WeakPolarHBondContact O-CB 3.15Å; V115-L118 PolarHBondContact O-N 2.96Å; V115-F119 HydrophobicContact CG1-CD2 3.65Å; V115-F119 HydrophobicContact CG1-CE2 3.52Å; V115-F119 WeakPolarHBondContact O-CD2 3.45Å; V115-F119 PolarHBondContact O-N 3.48Å; V115-F119 VanDerWaalsContact O-N 3.08Å |
| 116 | S | 95.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 37% | 0.371 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | I112 Y113 S114 L118 F119 L120 | I112-S116 WeakPolarHBondContact O-CB 3.48Å; I112-S116 PolarHBondContact O-N 3.4Å; I112-S116 PolarHBondContact O-OG 3.23Å; Y113-S116 WeakPolarHBondContact O-CB 3.38Å; Y113-S116 PolarHBondContact O-N 2.92Å; S114-S116 VanDerWaalsContact C-N 3.32Å; S114-S116 PolarHBondContact O-N 3.27Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 2.98Å; S116-F119 PolarHBondContact O-N 3.03Å; S116-L120 VanDerWaalsContact O-CB 3.24Å; S116-L120 WeakPolarHBondContact O-CB 3.27Å; S116-L120 WeakPolarHBondContact O-CG 3.39Å; S116-L120 PolarHBondContact O-N 3.42Å |
| 117 | I | 95.6 | Very high | 95.3 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 178.2 | -71.1 | -63.5 | 0 | 0 | 0 | 111.7 | A84 Y113 S114 S121 L131 | A84-I117 HydrophobicContact CB-CB 4.49Å; A84-I117 HydrophobicContact CB-CG2 4.19Å; Y113-I117 HydrophobicContact CD1-CG1 4.3Å; Y113-I117 HydrophobicContact CD2-CG1 4.11Å; Y113-I117 HydrophobicContact CE1-CG1 3.84Å; Y113-I117 HydrophobicContact CE2-CD1 3.99Å; Y113-I117 HydrophobicContact CE2-CG1 3.64Å; Y113-I117 HydrophobicContact CG-CG1 4.42Å; Y113-I117 VanDerWaalsContact CZ-CG1 3.49Å; Y113-I117 WeakPolarHBondContact O-CG1 3.3Å; Y113-I117 PolarHBondContact O-N 3.29Å; S114-I117 PolarHBondContact O-N 3.35Å; I117-S121 WeakPolarHBondContact O-CB 3.48Å; I117-S121 PolarHBondContact O-N 3.07Å; I117-S121 PolarHBondContact O-OG 3.16Å; I117-L131 HydrophobicContact CG2-CD1 4.45Å |
| 118 | L | 96.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -56 | 175.9 | 174 | 57.6 | 0 | 0 | 0 | 111 | L77 C80 F81 A84 S114 V115 S116 F122 | L77-L118 HydrophobicContact CD1-CD1 4.18Å; C80-L118 HydrophobicContact CB-CD1 3.8Å; F81-L118 HydrophobicContact CB-CD1 4.08Å; F81-L118 HydrophobicContact CD2-CD2 4.12Å; A84-L118 HydrophobicContact CB-CB 3.88Å; S114-L118 WeakPolarHBondContact O-CB 3.32Å; S114-L118 PolarHBondContact O-N 3.48Å; V115-L118 WeakPolarHBondContact O-CB 3.15Å; V115-L118 PolarHBondContact O-N 2.96Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 2.98Å; L118-F122 VanDerWaalsContact O-CB 3.24Å; L118-F122 WeakPolarHBondContact O-CB 3.36Å; L118-F122 PolarHBondContact O-N 2.89Å |
| 119 | F | 95.7 | Very high | 95.3 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 53% | 0.531 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | -178.7 | -76.9 | -66.6 | 0 | 0 | 0 | 111.9 | V115 S116 S121 F122 L123 | V115-F119 HydrophobicContact CG1-CD2 3.65Å; V115-F119 HydrophobicContact CG1-CE2 3.52Å; V115-F119 WeakPolarHBondContact O-CD2 3.45Å; V115-F119 PolarHBondContact O-N 3.48Å; V115-F119 VanDerWaalsContact O-N 3.08Å; S116-F119 PolarHBondContact O-N 3.03Å; F119-S121 PolarHBondContact O-N 3.4Å; F119-F122 PolarHBondContact O-N 3.16Å; F119-L123 WeakPolarHBondContact O-CB 3.44Å; F119-L123 VanDerWaalsContact O-CG 3.28Å; F119-L123 WeakPolarHBondContact O-CG 3.32Å; F119-L123 PolarHBondContact O-N 2.88Å |
| 120 | L | 94.9 | Very high | 95.4 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 45% | 0.445 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | -179.2 | -67.6 | 172.3 | 0 | 0 | 0 | 111.7 | S116 C124 L127 | S116-L120 VanDerWaalsContact O-CB 3.24Å; S116-L120 WeakPolarHBondContact O-CB 3.27Å; S116-L120 WeakPolarHBondContact O-CG 3.39Å; S116-L120 PolarHBondContact O-N 3.42Å; L120-C124 WeakPolarHBondContact O-CA 3.45Å; L120-C124 WeakPolarHBondContact O-CB 3.39Å; L120-C124 PolarHBondContact O-N 3.28Å; L120-L127 HydrophobicContact CB-CD2 3.38Å; L120-L127 HydrophobicContact CD1-CD2 4.45Å; L120-L127 HydrophobicContact CG-CD2 4.49Å |
| 121 | S | 93.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.4 | -35.1 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | I117 F119 R128 L131 | I117-S121 WeakPolarHBondContact O-CB 3.48Å; I117-S121 PolarHBondContact O-N 3.07Å; I117-S121 PolarHBondContact O-OG 3.16Å; F119-S121 PolarHBondContact O-N 3.4Å; S121-R128 WeakPolarHBondContact O-CD 3.28Å; S121-R128 WeakPolarHBondContact O-CG 3.38Å; S121-R128 PolarHBondContact O-NE 3.28Å; S121-R128 VanDerWaalsContact O-NE 3.14Å; S121-L131 WeakPolarHBondContact OG-CD1 3.48Å |
| 122 | F | 94.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.6 | -46.4 | 176.4 | -177.8 | -103.7 | 0 | 0 | 0 | 111.9 | V73 L76 L77 L118 F119 | V73-F122 HydrophobicContact CG1-CE2 4.13Å; V73-F122 HydrophobicContact CG1-CZ 3.89Å; L76-F122 HydrophobicContact CD2-CD2 4.13Å; L76-F122 HydrophobicContact CD2-CE2 4.22Å; L76-F122 HydrophobicContact CG-CD2 4.14Å; L76-F122 HydrophobicContact CG-CE2 4.38Å; L77-F122 HydrophobicContact CB-CD2 4.32Å; L77-F122 HydrophobicContact CB-CE2 4.08Å; L77-F122 HydrophobicContact CD1-CD2 4.12Å; L77-F122 HydrophobicContact CD1-CE2 4.34Å; L118-F122 VanDerWaalsContact O-CB 3.24Å; L118-F122 WeakPolarHBondContact O-CB 3.36Å; L118-F122 PolarHBondContact O-N 2.89Å; F119-F122 PolarHBondContact O-N 3.16Å |
| 123 | L | 93.8 | Very high | 95.1 | Very high | 123 Ų | 123 | 44.4 Ų | 44.4 | 64% | 0.644 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -83.5 | -38.3 | -174.9 | -61.5 | 174.3 | 0 | 0 | 0 | 113.3 | F119 | F119-L123 WeakPolarHBondContact O-CB 3.44Å; F119-L123 VanDerWaalsContact O-CG 3.28Å; F119-L123 WeakPolarHBondContact O-CG 3.32Å; F119-L123 PolarHBondContact O-N 2.88Å |
| 124 | C | 94.6 | Very high | 95 | Very high | 52 Ų | 52 | 42 Ų | 42 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | trans | -100.5 | 100.1 | -173 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | L120 L127 R128 | L120-C124 WeakPolarHBondContact O-CA 3.45Å; L120-C124 WeakPolarHBondContact O-CB 3.39Å; L120-C124 PolarHBondContact O-N 3.28Å; C124-L127 HydrophobicContact CB-CB 3.96Å; C124-L127 WeakPolarHBondContact O-CB 3.42Å; C124-L127 PolarHBondContact O-N 3.34Å; C124-L127 VanDerWaalsContact O-N 3.16Å; C124-R128 PolarHBondContact O-N 3.17Å | ||
| 125 | H | 93.5 | Very high | 94.7 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.6 | -44.2 | 176.5 | 172.4 | -95.3 | 0 | 0 | 0 | 114.9 | S64 K65 P66 L127 R128 F464 F465 | S64-H125 PolarHBondContact O-NE2 2.95Å; K65-H125 PolarHBondContact O-CD2 3.07Å; P66-H125 WeakPolarHBondContact CA-CD2 3.22Å; H125-L127 VanDerWaalsContact C-N 3.27Å; H125-L127 PolarHBondContact O-N 2.97Å; H125-R128 PolarHBondContact O-N 3.4Å; H125-F464 AromaticContact CD2-CD1 3.94Å; H125-F464 AromaticContact CE1-CD1 3.9Å; H125-F464 PolarHBondContact CE1-O 2.93Å; H125-F464 AromaticContact NE2-CD1 3.46Å; H125-F464 WeakPolarHBondContact NE2-CD1 3.17Å; H125-F464 PolarHBondContact NE2-O 3Å; H125-F465 AromaticContact CE1-CZ 3.97Å; H125-F465 AromaticContact ND1-CZ 3.84Å |
| 126 | P | 94.4 | Very high | 94.6 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -32.2 | 178.2 | -23.2 | 34.3 | 0 | 0 | 0 | 113.2 | C129 V130 L280 F465 | P126-C129 WeakPolarHBondContact O-CB 3.4Å; P126-C129 PolarHBondContact O-N 2.93Å; P126-V130 WeakPolarHBondContact O-CG2 3.47Å; P126-V130 PolarHBondContact O-N 3.15Å; P126-L280 HydrophobicContact CB-CD2 4.29Å; P126-L280 WeakPolarHBondContact O-CD2 3.38Å; P126-F465 HydrophobicContact CB-CZ 4.19Å; P126-F465 HydrophobicContact CG-CZ 4.18Å |
| 127 | L | 94 | Very high | 94.5 | Very high | 48 Ų | 48 | 42 Ų | 42 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.1 | -41.3 | -179.6 | -176.6 | 65.2 | 0 | 0 | 0 | 111.5 | L120 C124 H125 C129 V130 L131 | L120-L127 HydrophobicContact CB-CD2 3.38Å; L120-L127 HydrophobicContact CD1-CD2 4.45Å; L120-L127 HydrophobicContact CG-CD2 4.49Å; C124-L127 HydrophobicContact CB-CB 3.96Å; C124-L127 WeakPolarHBondContact O-CB 3.42Å; C124-L127 PolarHBondContact O-N 3.34Å; C124-L127 VanDerWaalsContact O-N 3.16Å; H125-L127 VanDerWaalsContact C-N 3.27Å; H125-L127 PolarHBondContact O-N 2.97Å; L127-C129 PolarHBondContact O-N 3.01Å; L127-V130 PolarHBondContact O-N 2.96Å; L127-V130 VanDerWaalsContact O-N 3.07Å; L127-L131 HydrophobicContact CD1-CG 4.45Å; L127-L131 HydrophobicContact CG-CD1 4.26Å; L127-L131 HydrophobicContact CG-CG 4.33Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.47Å |
| 128 | R | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.4 | -42 | 173.1 | -69.7 | -176.4 | -91.9 | 154.1 | -7 | 111.9 | Y63 K65 S121 C124 H125 T132 F464 | Y63-R128 HydrophobicContact CE1-CB 4.27Å; Y63-R128 HydrophobicContact CE2-CB 4.37Å; Y63-R128 HydrophobicContact CE2-CG 4.13Å; Y63-R128 PolarHBondContact O-NH1 2.98Å; Y63-R128 PolarHBondContact OH-O 2.85Å; K65-R128 PolarHBondContact O-NH1 3.34Å; K65-R128 PolarHBondContact O-NH2 3.47Å; S121-R128 WeakPolarHBondContact O-CD 3.28Å; S121-R128 WeakPolarHBondContact O-CG 3.38Å; S121-R128 PolarHBondContact O-NE 3.28Å; S121-R128 VanDerWaalsContact O-NE 3.14Å; C124-R128 PolarHBondContact O-N 3.17Å; H125-R128 PolarHBondContact O-N 3.4Å; R128-T132 WeakPolarHBondContact O-CB 3.25Å; R128-T132 PolarHBondContact O-N 3.11Å; R128-T132 PolarHBondContact O-OG1 3.13Å; R128-F464 HydrophobicContact CB-CE1 3.58Å; R128-F464 HydrophobicContact CB-CZ 4.17Å |
| 129 | C | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 176 | -167.2 | 0 | 0 | 0 | 0 | 110.9 | P126 L127 L131 T132 M133 L280 F464 F465 | P126-C129 WeakPolarHBondContact O-CB 3.4Å; P126-C129 PolarHBondContact O-N 2.93Å; L127-C129 PolarHBondContact O-N 3.01Å; C129-L131 PolarHBondContact O-N 3.12Å; C129-T132 PolarHBondContact O-N 2.99Å; C129-M133 WeakPolarHBondContact O-CB 3.3Å; C129-M133 WeakPolarHBondContact O-CG 3.26Å; C129-M133 PolarHBondContact O-N 2.81Å; C129-L280 HydrophobicContact CB-CD1 4.44Å; C129-L280 HydrophobicContact CB-CD2 3.83Å; C129-F464 HydrophobicContact CB-CB 4.11Å; C129-F464 HydrophobicContact CB-CD1 3.58Å; C129-F464 HydrophobicContact CB-CD2 4.12Å; C129-F464 HydrophobicContact CB-CE1 3.99Å; C129-F464 HydrophobicContact CB-CE2 4.45Å; C129-F464 HydrophobicContact CB-CG 3.66Å; C129-F464 HydrophobicContact CB-CZ 4.38Å; C129-F465 HydrophobicContact CB-CE2 4.3Å |
| 130 | V | 96.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | P126 L127 T132 M133 I134 I273 A277 L280 | P126-V130 WeakPolarHBondContact O-CG2 3.47Å; P126-V130 PolarHBondContact O-N 3.15Å; L127-V130 PolarHBondContact O-N 2.96Å; L127-V130 VanDerWaalsContact O-N 3.07Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.21Å; V130-M133 WeakPolarHBondContact O-CA 3.46Å; V130-M133 WeakPolarHBondContact O-CB 3.39Å; V130-M133 PolarHBondContact O-N 3.46Å; V130-I134 WeakPolarHBondContact O-CG1 3.35Å; V130-I134 PolarHBondContact O-N 3.39Å; V130-I134 VanDerWaalsContact O-N 3.15Å; V130-I273 HydrophobicContact CG1-CG2 4.4Å; V130-A277 HydrophobicContact CG1-CB 4.31Å; V130-A277 HydrophobicContact CG2-CB 4.19Å; V130-L280 HydrophobicContact CG2-CB 4.4Å; V130-L280 HydrophobicContact CG2-CD2 3.6Å |
| 131 | L | 93.9 | Very high | 93.7 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 178.8 | -69.2 | 175.8 | 0 | 0 | 0 | 111.7 | I117 S121 L127 C129 M133 I134 | I117-L131 HydrophobicContact CG2-CD1 4.45Å; S121-L131 WeakPolarHBondContact OG-CD1 3.48Å; L127-L131 HydrophobicContact CD1-CG 4.45Å; L127-L131 HydrophobicContact CG-CD1 4.26Å; L127-L131 HydrophobicContact CG-CG 4.33Å; L127-L131 WeakPolarHBondContact O-CG 3.31Å; L127-L131 PolarHBondContact O-N 3.47Å; C129-L131 PolarHBondContact O-N 3.12Å; L131-M133 PolarHBondContact O-N 3.29Å; L131-I134 HydrophobicContact CD2-CD1 4.03Å; L131-I134 PolarHBondContact O-N 3.06Å |
| 132 | T | 94.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 38.4 Ų | 38.4 | 20% | 0.202 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -29.4 | 176.6 | -52 | 0 | 0 | 0 | 0 | 112.4 | W60 Y63 R128 C129 V130 P136 V460 | W60-T132 HydrophobicContact CH2-CG2 3.74Å; W60-T132 HydrophobicContact CZ3-CG2 3.91Å; Y63-T132 WeakPolarHBondContact CE1-OG1 3.3Å; R128-T132 WeakPolarHBondContact O-CB 3.25Å; R128-T132 PolarHBondContact O-N 3.11Å; R128-T132 PolarHBondContact O-OG1 3.13Å; C129-T132 PolarHBondContact O-N 2.99Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.21Å; T132-P136 WeakPolarHBondContact O-CD 3.42Å; T132-V460 HydrophobicContact CG2-CG1 3.92Å; T132-V460 HydrophobicContact CG2-CG2 4.32Å |
| 133 | M | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79 | -16.1 | 179.2 | -75.5 | -173.8 | 72.6 | 0 | 0 | 114 | C129 V130 L131 L135 P136 T137 Y279 L280 R457 V460 S461 | C129-M133 WeakPolarHBondContact O-CB 3.3Å; C129-M133 WeakPolarHBondContact O-CG 3.26Å; C129-M133 PolarHBondContact O-N 2.81Å; V130-M133 WeakPolarHBondContact O-CA 3.46Å; V130-M133 WeakPolarHBondContact O-CB 3.39Å; V130-M133 PolarHBondContact O-N 3.46Å; L131-M133 PolarHBondContact O-N 3.29Å; M133-L135 VanDerWaalsContact C-N 3.33Å; M133-L135 PolarHBondContact O-N 3.12Å; M133-P136 VanDerWaalsContact O-CD 3.23Å; M133-P136 WeakPolarHBondContact O-CD 3.47Å; M133-P136 WeakPolarHBondContact O-CG 3.34Å; M133-T137 VanDerWaalsContact O-CB 3.28Å; M133-T137 WeakPolarHBondContact O-CB 2.94Å; M133-T137 PolarHBondContact O-N 3.49Å; M133-T137 PolarHBondContact O-OG1 3.34Å; M133-Y279 HydrophobicContact CE-CD1 3.06Å; M133-Y279 HydrophobicContact CE-CE1 3.5Å; M133-Y279 HydrophobicContact CE-CG 3.79Å; M133-Y279 HydrophobicContact SD-CD1 4.23Å; M133-L280 HydrophobicContact SD-CB 4.4Å; M133-L280 HydrophobicContact SD-CD1 4.46Å; M133-R457 HydrophobicContact CE-CB 3.7Å; M133-R457 HydrophobicContact CE-CG 3.86Å; M133-V460 HydrophobicContact CG-CB 4.28Å; M133-V460 HydrophobicContact CG-CG1 3.78Å; M133-S461 PolarHBondContact SD-OG 3.43Å |
| 134 | I | 93.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 15% | 0.149 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 178.4 | -66.3 | 169.2 | 0 | 0 | 0 | 110.7 | V130 L131 T137 L138 L272 I273 | V130-I134 WeakPolarHBondContact O-CG1 3.35Å; V130-I134 PolarHBondContact O-N 3.39Å; V130-I134 VanDerWaalsContact O-N 3.15Å; L131-I134 HydrophobicContact CD2-CD1 4.03Å; L131-I134 PolarHBondContact O-N 3.06Å; I134-T137 WeakPolarHBondContact O-CB 3.28Å; I134-T137 PolarHBondContact O-N 3.25Å; I134-T137 VanDerWaalsContact O-N 3.16Å; I134-L138 PolarHBondContact O-N 2.83Å; I134-L272 HydrophobicContact CG2-CB 4.41Å; I134-L272 HydrophobicContact CG2-CD1 4.35Å; I134-I273 HydrophobicContact CD1-CG1 3.79Å; I134-I273 HydrophobicContact CG1-CG1 4.36Å |
| 135 | L | 92.1 | Very high | 93 | Very high | 134 Ų | 134 | 33.8 Ų | 33.8 | 70% | 0.702 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61.3 | -52 | -178.8 | -176.9 | 66.2 | 0 | 0 | 0 | 113.3 | M133 T137 L138 G139 | M133-L135 VanDerWaalsContact C-N 3.33Å; M133-L135 PolarHBondContact O-N 3.12Å; L135-T137 VanDerWaalsContact C-N 3.26Å; L135-T137 PolarHBondContact O-N 3.09Å; L135-L138 HydrophobicContact CD1-CD1 4.41Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3Å; L135-G139 PolarHBondContact O-N 3.35Å |
| 136 | P | 93.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.9 | -22 | 174.5 | 29.1 | -36.5 | 0 | 0 | 0 | 112.5 | T132 M133 G139 T140 A453 I456 R457 | T132-P136 WeakPolarHBondContact O-CD 3.42Å; M133-P136 VanDerWaalsContact O-CD 3.23Å; M133-P136 WeakPolarHBondContact O-CD 3.47Å; M133-P136 WeakPolarHBondContact O-CG 3.34Å; P136-G139 PolarHBondContact O-N 3.19Å; P136-T140 WeakPolarHBondContact O-CG2 3.3Å; P136-A453 WeakPolarHBondContact O-CB 2.79Å; P136-I456 HydrophobicContact CB-CB 4.13Å; P136-I456 HydrophobicContact CB-CG2 3.74Å; P136-I456 HydrophobicContact CG-CG2 4.07Å; P136-R457 HydrophobicContact CB-CG 3.77Å; P136-R457 HydrophobicContact CG-CG 3.83Å |
| 137 | T | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.4 | -35.6 | 171.2 | -64.3 | 0 | 0 | 0 | 0 | 112 | M133 I134 L135 G139 T140 Q142 L272 E275 S276 R457 | M133-T137 VanDerWaalsContact O-CB 3.28Å; M133-T137 WeakPolarHBondContact O-CB 2.94Å; M133-T137 PolarHBondContact O-N 3.49Å; M133-T137 PolarHBondContact O-OG1 3.34Å; I134-T137 WeakPolarHBondContact O-CB 3.28Å; I134-T137 PolarHBondContact O-N 3.25Å; I134-T137 VanDerWaalsContact O-N 3.16Å; L135-T137 VanDerWaalsContact C-N 3.26Å; L135-T137 PolarHBondContact O-N 3.09Å; T137-G139 PolarHBondContact O-N 3.4Å; T137-T140 WeakPolarHBondContact O-CB 3.34Å; T137-T140 PolarHBondContact O-N 2.98Å; T137-T140 VanDerWaalsContact O-N 3.1Å; T137-T140 PolarHBondContact O-OG1 3.45Å; T137-Q142 HydrophobicContact CG2-CB 4.48Å; T137-Q142 HydrophobicContact CG2-CG 4.37Å; T137-L272 HydrophobicContact CG2-CD2 3.9Å; T137-E275 HydrophobicContact CG2-CB 4.18Å; T137-S276 WeakPolarHBondContact CB-OG 3.45Å; T137-S276 PolarHBondContact OG1-OG 2.92Å; T137-R457 WeakPolarHBondContact OG1-CD 3.49Å |
| 138 | L | 92.3 | Very high | 92.6 | Very high | 58 Ų | 58 | 32 Ų | 32 | 30% | 0.304 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -54.6 | -44.1 | 169 | -77.9 | 164.8 | 0 | 0 | 0 | 110.6 | I134 L135 T140 G143 F268 L272 M446 | I134-L138 PolarHBondContact O-N 2.83Å; L135-L138 HydrophobicContact CD1-CD1 4.41Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3Å; L138-T140 PolarHBondContact O-N 2.86Å; L138-G143 WeakPolarHBondContact O-CA 3.32Å; L138-G143 PolarHBondContact O-N 3Å; L138-F268 HydrophobicContact CD2-CE1 3.78Å; L138-F268 HydrophobicContact CD2-CZ 4.37Å; L138-L272 HydrophobicContact CD1-CD1 4.48Å; L138-L272 HydrophobicContact CD2-CD1 3.38Å; L138-L272 HydrophobicContact CD2-CD2 4.1Å; L138-L272 HydrophobicContact CD2-CG 4.35Å; L138-L272 HydrophobicContact CG-CD1 3.75Å; L138-L272 HydrophobicContact CG-CD2 4.31Å; L138-M446 WeakPolarHBondContact O-CE 3.48Å |
| 139 | G | 91.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 1.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L135 P136 T137 M446 E450 A453 | L135-G139 PolarHBondContact O-N 3.35Å; P136-G139 PolarHBondContact O-N 3.19Å; T137-G139 PolarHBondContact O-N 3.4Å; G139-M446 VanDerWaalsContact CA-CE 3.48Å; G139-E450 WeakPolarHBondContact O-CA 3.31Å; G139-A453 VanDerWaalsContact O-CB 3.3Å; G139-A453 WeakPolarHBondContact O-CB 3.45Å |
| 140 | T | 91.6 | Very high | 92 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -171.6 | -176.8 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | P136 T137 L138 Q142 G143 R144 A453 | P136-T140 WeakPolarHBondContact O-CG2 3.3Å; T137-T140 WeakPolarHBondContact O-CB 3.34Å; T137-T140 PolarHBondContact O-N 2.98Å; T137-T140 VanDerWaalsContact O-N 3.1Å; T137-T140 PolarHBondContact O-OG1 3.45Å; L138-T140 PolarHBondContact O-N 2.86Å; T140-Q142 PolarHBondContact O-N 3.06Å; T140-Q142 PolarHBondContact OG1-N 2.67Å; T140-G143 PolarHBondContact O-N 3.46Å; T140-R144 PolarHBondContact O-N 3.08Å; T140-A453 HydrophobicContact CG2-CB 3.99Å |
| 141 | K | 90.6 | Very high | 91.8 | Very high | 104 Ų | 104 | 35.2 Ų | 35.2 | 45% | 0.452 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -45.6 | -29.2 | 168.5 | 68.5 | 179.7 | -175.6 | 175.9 | 0 | 114.5 | R144 K145 E450 | K141-R144 VanDerWaalsContact CB-NH2 3.33Å; K141-K145 WeakPolarHBondContact O-CG 3.34Å; K141-K145 PolarHBondContact O-N 2.81Å; K141-E450 PolarHBondContact N-OE1 3.48Å |
| 142 | Q | 90.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.5 | -49.3 | -179.1 | -50.4 | -54.9 | 10.5 | 0 | 0 | 112.2 | T137 T140 R144 K145 L146 F268 Y271 L272 E275 | T137-Q142 HydrophobicContact CG2-CB 4.48Å; T137-Q142 HydrophobicContact CG2-CG 4.37Å; T140-Q142 PolarHBondContact O-N 3.06Å; T140-Q142 PolarHBondContact OG1-N 2.67Å; Q142-R144 VanDerWaalsContact C-N 3.25Å; Q142-R144 PolarHBondContact O-N 3.36Å; Q142-K145 WeakPolarHBondContact O-CB 3.45Å; Q142-K145 PolarHBondContact O-N 3.46Å; Q142-K145 VanDerWaalsContact O-N 3.14Å; Q142-L146 PolarHBondContact O-N 3.4Å; Q142-F268 WeakPolarHBondContact O-CE2 3.38Å; Q142-F268 VanDerWaalsContact O-CZ 3.26Å; Q142-F268 WeakPolarHBondContact O-CZ 3.48Å; Q142-Y271 HydrophobicContact CB-CE1 4.16Å; Q142-Y271 VanDerWaalsContact CD-CE1 3.5Å; Q142-Y271 HydrophobicContact CG-CE1 4.08Å; Q142-Y271 PolarHBondContact NE2-OH 3.19Å; Q142-Y271 VanDerWaalsContact OE1-CE1 3.23Å; Q142-Y271 PolarHBondContact OE1-OH 3.07Å; Q142-L272 HydrophobicContact CB-CD2 4.1Å; Q142-E275 HydrophobicContact CG-CB 4.46Å; Q142-E275 HydrophobicContact CG-CG 4.09Å; Q142-E275 PolarHBondContact NE2-OE1 3.23Å; Q142-E275 VanDerWaalsContact NE2-OE1 3.17Å; Q142-E275 PolarHBondContact NE2-OE2 3.49Å |
| 143 | G | 90.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -30.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L138 T140 K145 L146 I147 | L138-G143 WeakPolarHBondContact O-CA 3.32Å; L138-G143 PolarHBondContact O-N 3Å; T140-G143 PolarHBondContact O-N 3.46Å; G143-K145 PolarHBondContact O-N 2.97Å; G143-L146 WeakPolarHBondContact O-CB 3.41Å; G143-L146 PolarHBondContact O-N 3.5Å; G143-I147 WeakPolarHBondContact O-CG1 3.49Å; G143-I147 PolarHBondContact O-N 2.96Å |
| 144 | R | 91.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 171.9 | -175.5 | 172.4 | 60.3 | -105.9 | 1.4 | 112.7 | T140 K141 Q142 L146 I147 I148 V340 E450 | T140-R144 PolarHBondContact O-N 3.08Å; K141-R144 VanDerWaalsContact CB-NH2 3.33Å; Q142-R144 VanDerWaalsContact C-N 3.25Å; Q142-R144 PolarHBondContact O-N 3.36Å; R144-L146 VanDerWaalsContact C-N 3.27Å; R144-L146 PolarHBondContact O-N 3.17Å; R144-I147 PolarHBondContact O-N 3.26Å; R144-I148 HydrophobicContact CG-CD1 3.95Å; R144-I148 HydrophobicContact CG-CG1 4.42Å; R144-I148 WeakPolarHBondContact O-CG1 3.48Å; R144-I148 PolarHBondContact O-N 3.05Å; R144-V340 VanDerWaalsContact CD-CG2 3.46Å; R144-V340 HydrophobicContact CG-CG2 4.29Å; R144-E450 IonicContact CZ-OE2 2.98Å; R144-E450 IonicContact NH1-OE2 3.4Å; R144-E450 PolarHBondContact NH1-OE2 2.83Å; R144-E450 IonicContact NH2-OE2 2.67Å; R144-E450 PolarHBondContact NH2-OE2 2.97Å |
| 145 | K | 90.6 | Very high | 90.9 | Very high | 115 Ų | 115 | 36.5 Ų | 36.5 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -38.6 | 173.3 | -74.2 | 177.3 | 179.6 | 179.9 | 0 | 111.8 | K141 Q142 G143 I148 S149 | K141-K145 WeakPolarHBondContact O-CG 3.34Å; K141-K145 PolarHBondContact O-N 2.81Å; Q142-K145 WeakPolarHBondContact O-CB 3.45Å; Q142-K145 PolarHBondContact O-N 3.46Å; Q142-K145 VanDerWaalsContact O-N 3.14Å; G143-K145 PolarHBondContact O-N 2.97Å; K145-I148 PolarHBondContact O-N 2.99Å; K145-S149 VanDerWaalsContact O-CB 3.26Å; K145-S149 WeakPolarHBondContact O-CB 3.36Å; K145-S149 PolarHBondContact O-N 2.92Å |
| 146 | L | 89.7 | Confident | 90.6 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.2 | -51.8 | 172.8 | 174.5 | 70.4 | 0 | 0 | 0 | 110.9 | Q142 G143 R144 I148 S149 T150 F268 | Q142-L146 PolarHBondContact O-N 3.4Å; G143-L146 WeakPolarHBondContact O-CB 3.41Å; G143-L146 PolarHBondContact O-N 3.5Å; R144-L146 VanDerWaalsContact C-N 3.27Å; R144-L146 PolarHBondContact O-N 3.17Å; L146-I148 VanDerWaalsContact C-N 3.29Å; L146-I148 PolarHBondContact O-N 3.25Å; L146-S149 WeakPolarHBondContact O-CB 3.26Å; L146-S149 PolarHBondContact O-N 3.43Å; L146-S149 VanDerWaalsContact O-N 3.13Å; L146-T150 WeakPolarHBondContact O-CB 3.29Å; L146-T150 PolarHBondContact O-N 2.98Å; L146-T150 PolarHBondContact O-OG1 3.46Å; L146-T150 VanDerWaalsContact O-OG1 3.06Å; L146-F268 HydrophobicContact CB-CD1 3.91Å; L146-F268 HydrophobicContact CB-CD2 3.94Å; L146-F268 HydrophobicContact CB-CE1 3.52Å; L146-F268 HydrophobicContact CB-CE2 3.62Å; L146-F268 HydrophobicContact CB-CG 4.09Å; L146-F268 HydrophobicContact CB-CZ 3.41Å; L146-F268 VanDerWaalsContact CB-CZ 3.41Å; L146-F268 HydrophobicContact CD1-CB 4.15Å; L146-F268 HydrophobicContact CD1-CD1 3.75Å; L146-F268 HydrophobicContact CD1-CD2 4.27Å; L146-F268 HydrophobicContact CD1-CE1 4.22Å; L146-F268 HydrophobicContact CD1-CG 3.76Å; L146-F268 HydrophobicContact CD2-CD1 3.56Å; L146-F268 HydrophobicContact CD2-CE1 3.39Å; L146-F268 HydrophobicContact CD2-CG 4.4Å; L146-F268 HydrophobicContact CD2-CZ 4.18Å; L146-F268 HydrophobicContact CG-CD1 3.92Å; L146-F268 HydrophobicContact CG-CE1 3.87Å; L146-F268 HydrophobicContact CG-CG 4.29Å; L146-F268 HydrophobicContact CG-CZ 4.28Å |
| 147 | I | 91.5 | Very high | 90.2 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57 | -45.2 | -179.3 | -66.3 | 163.1 | 0 | 0 | 0 | 110.9 | G143 R144 T150 S151 L439 V442 M446 | G143-I147 WeakPolarHBondContact O-CG1 3.49Å; G143-I147 PolarHBondContact O-N 2.96Å; R144-I147 PolarHBondContact O-N 3.26Å; I147-T150 PolarHBondContact O-N 2.83Å; I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 3.43Å; I147-S151 PolarHBondContact O-OG 3.33Å; I147-L439 HydrophobicContact CG2-CB 4.09Å; I147-L439 HydrophobicContact CG2-CD2 4.27Å; I147-L439 VanDerWaalsContact CG2-O 3.31Å; I147-L439 WeakPolarHBondContact CG2-O 3.29Å; I147-V442 HydrophobicContact CD1-CG1 3.77Å; I147-M446 HydrophobicContact CD1-CG 3.99Å |
| 148 | I | 91.1 | Very high | 89.9 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.4 | -66.2 | 168.4 | 0 | 0 | 0 | 110.5 | R144 K145 L146 T150 S151 V152 V340 Y343 | R144-I148 HydrophobicContact CG-CD1 3.95Å; R144-I148 HydrophobicContact CG-CG1 4.42Å; R144-I148 WeakPolarHBondContact O-CG1 3.48Å; R144-I148 PolarHBondContact O-N 3.05Å; K145-I148 PolarHBondContact O-N 2.99Å; L146-I148 VanDerWaalsContact C-N 3.29Å; L146-I148 PolarHBondContact O-N 3.25Å; I148-T150 PolarHBondContact O-N 3.22Å; I148-S151 WeakPolarHBondContact O-CB 3.26Å; I148-S151 PolarHBondContact O-N 2.93Å; I148-V152 WeakPolarHBondContact O-CG2 3.29Å; I148-V152 PolarHBondContact O-N 3.08Å; I148-V340 HydrophobicContact CD1-CG2 4.38Å; I148-Y343 HydrophobicContact CD1-CD2 4.08Å; I148-Y343 HydrophobicContact CD1-CE2 4.4Å; I148-Y343 HydrophobicContact CG2-CD1 3.83Å; I148-Y343 HydrophobicContact CG2-CD2 4.02Å; I148-Y343 HydrophobicContact CG2-CE1 3.98Å; I148-Y343 HydrophobicContact CG2-CE2 4.17Å; I148-Y343 HydrophobicContact CG2-CG 3.86Å |
| 149 | S | 89.6 | Confident | 89.8 | Confident | 49 Ų | 49 | 31.8 Ų | 31.8 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 177.6 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | K145 L146 S151 V152 I153 | K145-S149 VanDerWaalsContact O-CB 3.26Å; K145-S149 WeakPolarHBondContact O-CB 3.36Å; K145-S149 PolarHBondContact O-N 2.92Å; L146-S149 WeakPolarHBondContact O-CB 3.26Å; L146-S149 PolarHBondContact O-N 3.43Å; L146-S149 VanDerWaalsContact O-N 3.13Å; S149-S151 VanDerWaalsContact C-N 3.3Å; S149-S151 PolarHBondContact O-N 3.11Å; S149-V152 PolarHBondContact O-N 2.93Å; S149-I153 WeakPolarHBondContact O-CB 3.2Å; S149-I153 WeakPolarHBondContact O-CD1 3.44Å; S149-I153 WeakPolarHBondContact O-CG1 3.44Å; S149-I153 PolarHBondContact O-N 3.24Å |
| 150 | T | 88.8 | Confident | 89.7 | Confident | 31 Ų | 31 | 34 Ų | 34 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 176 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L146 I147 I148 I153 V154 L439 | L146-T150 WeakPolarHBondContact O-CB 3.29Å; L146-T150 PolarHBondContact O-N 2.98Å; L146-T150 PolarHBondContact O-OG1 3.46Å; L146-T150 VanDerWaalsContact O-OG1 3.06Å; I147-T150 PolarHBondContact O-N 2.83Å; I148-T150 PolarHBondContact O-N 3.22Å; T150-I153 PolarHBondContact O-N 3.14Å; T150-V154 WeakPolarHBondContact O-CG2 3.21Å; T150-V154 PolarHBondContact O-N 3.24Å; T150-L439 HydrophobicContact CG2-CD1 4.23Å |
| 151 | S | 91.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.028 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.1 | -58 | 0 | 0 | 0 | 0 | 111.5 | I147 I148 S149 V154 L155 | I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 3.43Å; I147-S151 PolarHBondContact O-OG 3.33Å; I148-S151 WeakPolarHBondContact O-CB 3.26Å; I148-S151 PolarHBondContact O-N 2.93Å; S149-S151 VanDerWaalsContact C-N 3.3Å; S149-S151 PolarHBondContact O-N 3.11Å; S151-V154 PolarHBondContact O-N 3.37Å; S151-L155 WeakPolarHBondContact O-CB 3.3Å; S151-L155 PolarHBondContact O-N 2.95Å |
| 152 | V | 90.1 | Very high | 89.4 | Confident | 57 Ų | 57 | 30.5 Ų | 30.5 | 35% | 0.345 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I148 S149 V154 L155 V156 | I148-V152 WeakPolarHBondContact O-CG2 3.29Å; I148-V152 PolarHBondContact O-N 3.08Å; S149-V152 PolarHBondContact O-N 2.93Å; V152-V154 VanDerWaalsContact C-N 3.35Å; V152-V154 PolarHBondContact O-N 2.97Å; V152-L155 WeakPolarHBondContact O-CB 3.41Å; V152-L155 PolarHBondContact O-N 3.48Å; V152-V156 HydrophobicContact CG1-CG2 4.29Å; V152-V156 VanDerWaalsContact O-CG2 3.31Å; V152-V156 WeakPolarHBondContact O-CG2 3.42Å; V152-V156 PolarHBondContact O-N 3.05Å |
| 153 | I | 87.5 | Confident | 89.4 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.118 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.3 | -72 | 164 | 0 | 0 | 0 | 110.4 | S149 T150 V156 L157 L264 | S149-I153 WeakPolarHBondContact O-CB 3.2Å; S149-I153 WeakPolarHBondContact O-CD1 3.44Å; S149-I153 WeakPolarHBondContact O-CG1 3.44Å; S149-I153 PolarHBondContact O-N 3.24Å; T150-I153 PolarHBondContact O-N 3.14Å; I153-V156 PolarHBondContact O-N 3.29Å; I153-L157 HydrophobicContact CB-CD1 4.46Å; I153-L157 HydrophobicContact CG2-CD1 3.39Å; I153-L157 HydrophobicContact CG2-CG 4.48Å; I153-L157 VanDerWaalsContact O-CB 3.24Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 WeakPolarHBondContact O-CD1 3.32Å; I153-L157 WeakPolarHBondContact O-CG 3.13Å; I153-L157 PolarHBondContact O-N 3.28Å; I153-L264 HydrophobicContact CD1-CD1 3.39Å; I153-L264 HydrophobicContact CG1-CD1 4.23Å |
| 154 | V | 88.3 | Confident | 89.1 | Confident | 27 Ų | 27 | 32.4 Ų | 32.4 | 16% | 0.164 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | T150 S151 V152 S158 V432 F435 | T150-V154 WeakPolarHBondContact O-CG2 3.21Å; T150-V154 PolarHBondContact O-N 3.24Å; S151-V154 PolarHBondContact O-N 3.37Å; V152-V154 VanDerWaalsContact C-N 3.35Å; V152-V154 PolarHBondContact O-N 2.97Å; V154-S158 VanDerWaalsContact O-CB 3.28Å; V154-S158 WeakPolarHBondContact O-CB 3.43Å; V154-S158 PolarHBondContact O-N 3.44Å; V154-V432 HydrophobicContact CG1-CG1 3.77Å; V154-F435 HydrophobicContact CG1-CD1 4.4Å; V154-F435 HydrophobicContact CG2-CD1 4.43Å; V154-F435 HydrophobicContact CG2-CE1 4.02Å |
| 155 | L | 91.7 | Very high | 88.8 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -57 | -51.7 | 174.5 | -176.3 | 72.1 | 0 | 0 | 0 | 111.1 | S151 V152 I159 I160 I347 I350 L436 | S151-L155 WeakPolarHBondContact O-CB 3.3Å; S151-L155 PolarHBondContact O-N 2.95Å; V152-L155 WeakPolarHBondContact O-CB 3.41Å; V152-L155 PolarHBondContact O-N 3.48Å; L155-I159 HydrophobicContact CD1-CB 4.13Å; L155-I159 HydrophobicContact CD1-CD1 3.55Å; L155-I159 HydrophobicContact CD1-CG1 4.39Å; L155-I159 HydrophobicContact CD1-CG2 4.41Å; L155-I159 WeakPolarHBondContact O-CA 3.25Å; L155-I159 WeakPolarHBondContact O-CB 3.38Å; L155-I159 PolarHBondContact O-N 2.95Å; L155-I160 PolarHBondContact O-N 3.33Å; L155-I347 HydrophobicContact CD2-CG1 4.1Å; L155-I350 HydrophobicContact CD1-CB 3.96Å; L155-I350 HydrophobicContact CD1-CG2 3.71Å; L155-I350 HydrophobicContact CD2-CB 4.42Å; L155-I350 HydrophobicContact CD2-CG1 4.39Å; L155-I350 HydrophobicContact CD2-CG2 4.46Å; L155-I350 HydrophobicContact CG-CG2 4.16Å; L155-L436 HydrophobicContact CD1-CD2 4.37Å |
| 156 | V | 87.5 | Confident | 88.8 | Confident | 48 Ų | 48 | 28.8 Ų | 28.8 | 29% | 0.291 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -65 | -48.2 | -179 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | V152 I153 S158 I160 V161 L253 | V152-V156 HydrophobicContact CG1-CG2 4.29Å; V152-V156 VanDerWaalsContact O-CG2 3.31Å; V152-V156 WeakPolarHBondContact O-CG2 3.42Å; V152-V156 PolarHBondContact O-N 3.05Å; I153-V156 PolarHBondContact O-N 3.29Å; V156-S158 PolarHBondContact O-N 2.88Å; V156-I160 HydrophobicContact CB-CD1 4.32Å; V156-I160 HydrophobicContact CG2-CD1 3.93Å; V156-I160 WeakPolarHBondContact O-CB 3.38Å; V156-V161 PolarHBondContact O-N 2.97Å; V156-L253 HydrophobicContact CG1-CD2 4.27Å |
| 157 | L | 84.5 | Confident | 88.5 | Confident | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.105 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -85.2 | -11.3 | -167.3 | -61 | 167.8 | 0 | 0 | 0 | 113.8 | I153 K257 | I153-L157 HydrophobicContact CB-CD1 4.46Å; I153-L157 HydrophobicContact CG2-CD1 3.39Å; I153-L157 HydrophobicContact CG2-CG 4.48Å; I153-L157 VanDerWaalsContact O-CB 3.24Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 WeakPolarHBondContact O-CD1 3.32Å; I153-L157 WeakPolarHBondContact O-CG 3.13Å; I153-L157 PolarHBondContact O-N 3.28Å; L157-K257 HydrophobicContact CB-CB 4.42Å; L157-K257 HydrophobicContact CB-CD 3.76Å; L157-K257 HydrophobicContact CB-CG 3.92Å; L157-K257 HydrophobicContact CD1-CB 4Å; L157-K257 HydrophobicContact CD1-CG 3.75Å; L157-K257 HydrophobicContact CD2-CB 3.89Å; L157-K257 HydrophobicContact CD2-CG 4.3Å; L157-K257 HydrophobicContact CG-CB 4.31Å; L157-K257 HydrophobicContact CG-CG 4.19Å; L157-K257 PolarHBondContact O-NZ 2.95Å |
| 158 | S | 86.9 | Confident | 88 | Confident | 33 Ų | 33 | 30.1 Ų | 30.1 | 23% | 0.231 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -119.3 | -54.7 | 177.6 | -59 | 0 | 0 | 0 | 0 | 111.4 | V154 V156 N162 K257 | V154-S158 VanDerWaalsContact O-CB 3.28Å; V154-S158 WeakPolarHBondContact O-CB 3.43Å; V154-S158 PolarHBondContact O-N 3.44Å; V156-S158 PolarHBondContact O-N 2.88Å; S158-N162 VanDerWaalsContact O-CB 3.26Å; S158-N162 WeakPolarHBondContact O-CB 3.28Å; S158-N162 PolarHBondContact O-N 2.98Å; S158-K257 PolarHBondContact OG-NZ 2.94Å |
| 159 | I | 91.4 | Very high | 87.6 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -78.7 | -48.1 | -173.5 | -62.2 | 165.2 | 0 | 0 | 0 | 110.8 | L155 V161 N162 I163 I350 M351 D354 V432 L436 | L155-I159 HydrophobicContact CD1-CB 4.13Å; L155-I159 HydrophobicContact CD1-CD1 3.55Å; L155-I159 HydrophobicContact CD1-CG1 4.39Å; L155-I159 HydrophobicContact CD1-CG2 4.41Å; L155-I159 WeakPolarHBondContact O-CA 3.25Å; L155-I159 WeakPolarHBondContact O-CB 3.38Å; L155-I159 PolarHBondContact O-N 2.95Å; I159-V161 VanDerWaalsContact C-N 3.32Å; I159-V161 PolarHBondContact O-N 3.48Å; I159-N162 WeakPolarHBondContact O-CB 3.23Å; I159-N162 PolarHBondContact O-N 3.35Å; I159-N162 VanDerWaalsContact O-N 3.12Å; I159-I163 HydrophobicContact CG2-CD1 4.2Å; I159-I163 WeakPolarHBondContact O-CG1 3.43Å; I159-I163 PolarHBondContact O-N 3.17Å; I159-I350 HydrophobicContact CG2-CG2 3.87Å; I159-M351 HydrophobicContact CD1-CG 3.6Å; I159-M351 HydrophobicContact CD1-SD 4.49Å; I159-D354 HydrophobicContact CG2-CB 3.64Å; I159-V432 HydrophobicContact CD1-CG1 4.37Å; I159-V432 HydrophobicContact CG1-CG1 4.23Å; I159-L436 HydrophobicContact CD1-CD2 3.9Å |
| 160 | I | 88.9 | Confident | 87.1 | Confident | 60 Ų | 60 | 29.3 Ų | 29.3 | 31% | 0.308 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -65.2 | -39.5 | 178.4 | -58.3 | -177.5 | 0 | 0 | 0 | 110.5 | L155 V156 N162 I163 T164 I350 | L155-I160 PolarHBondContact O-N 3.33Å; V156-I160 HydrophobicContact CB-CD1 4.32Å; V156-I160 HydrophobicContact CG2-CD1 3.93Å; V156-I160 WeakPolarHBondContact O-CB 3.38Å; I160-N162 VanDerWaalsContact C-N 3.32Å; I160-N162 PolarHBondContact O-N 3.44Å; I160-I163 PolarHBondContact O-N 2.82Å; I160-T164 WeakPolarHBondContact O-CB 3.42Å; I160-T164 PolarHBondContact O-N 3.38Å; I160-T164 PolarHBondContact O-OG1 3.41Å; I160-I350 HydrophobicContact CG1-CG2 4.25Å |
| 161 | V | 85.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 172.5 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | V156 I159 T164 V165 L253 | V156-V161 PolarHBondContact O-N 2.97Å; I159-V161 VanDerWaalsContact C-N 3.32Å; I159-V161 PolarHBondContact O-N 3.48Å; V161-T164 CarbonylContact O-C 3.56Å; V161-T164 WeakPolarHBondContact O-CA 3.39Å; V161-T164 WeakPolarHBondContact O-CB 3.48Å; V161-T164 PolarHBondContact O-N 3.42Å; V161-T164 VanDerWaalsContact O-N 3.15Å; V161-V165 HydrophobicContact CG1-CG2 4.49Å; V161-V165 WeakPolarHBondContact O-CG2 3.42Å; V161-V165 PolarHBondContact O-N 3.29Å; V161-L253 HydrophobicContact CG2-CB 4.06Å; V161-L253 HydrophobicContact CG2-CD1 4.07Å |
| 162 | N | 89.4 | Confident | 85.9 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -45 | 176.9 | -166 | 66.2 | 0 | 0 | 0 | 112.7 | S158 I159 I160 T164 V165 N166 D354 S426 | S158-N162 VanDerWaalsContact O-CB 3.26Å; S158-N162 WeakPolarHBondContact O-CB 3.28Å; S158-N162 PolarHBondContact O-N 2.98Å; I159-N162 WeakPolarHBondContact O-CB 3.23Å; I159-N162 PolarHBondContact O-N 3.35Å; I159-N162 VanDerWaalsContact O-N 3.12Å; I160-N162 VanDerWaalsContact C-N 3.32Å; I160-N162 PolarHBondContact O-N 3.44Å; N162-T164 PolarHBondContact O-N 2.94Å; N162-V165 PolarHBondContact O-N 3.16Å; N162-N166 PolarHBondContact ND2-ND2 2.97Å; N162-N166 PolarHBondContact O-N 3.33Å; N162-N166 PolarHBondContact O-ND2 3.19Å; N162-D354 PolarHBondContact ND2-OD1 2.97Å; N162-D354 PolarHBondContact ND2-OD2 3.46Å; N162-S426 PolarHBondContact ND2-O 2.85Å; N162-S426 VanDerWaalsContact OD1-CB 3.23Å; N162-S426 WeakPolarHBondContact OD1-CB 3.21Å; N162-S426 PolarHBondContact OD1-O 3.45Å; N162-S426 PolarHBondContact OD1-OG 3.5Å |
| 163 | I | 90.2 | Very high | 85.3 | Confident | 22 Ų | 22 | 31 Ų | 31 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.2 | -44.8 | 171.4 | -69.7 | 167.3 | 0 | 0 | 0 | 109.8 | I159 I160 N166 M167 I350 L353 D354 V357 | I159-I163 HydrophobicContact CG2-CD1 4.2Å; I159-I163 WeakPolarHBondContact O-CG1 3.43Å; I159-I163 PolarHBondContact O-N 3.17Å; I160-I163 PolarHBondContact O-N 2.82Å; I163-N166 PolarHBondContact O-N 2.97Å; I163-M167 HydrophobicContact CG2-CG 4.25Å; I163-M167 WeakPolarHBondContact O-CB 3.49Å; I163-M167 VanDerWaalsContact O-CG 3.28Å; I163-M167 WeakPolarHBondContact O-CG 3.37Å; I163-M167 PolarHBondContact O-N 3.16Å; I163-I350 HydrophobicContact CD1-CG2 4.12Å; I163-L353 HydrophobicContact CD1-CD2 4.37Å; I163-L353 HydrophobicContact CD1-CG 4.39Å; I163-D354 HydrophobicContact CD1-CB 3.93Å; I163-D354 HydrophobicContact CG1-CB 3.63Å; I163-D354 WeakPolarHBondContact CG1-OD1 3.37Å; I163-V357 HydrophobicContact CG2-CG2 4.34Å |
| 164 | T | 85.3 | Confident | 84.8 | Confident | 22 Ų | 22 | 34.3 Ų | 34.3 | 14% | 0.135 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -58.3 | 180 | -53.6 | 0 | 0 | 0 | 0 | 108.1 | I160 V161 N162 N166 M167 G168 F246 N250 | I160-T164 WeakPolarHBondContact O-CB 3.42Å; I160-T164 PolarHBondContact O-N 3.38Å; I160-T164 PolarHBondContact O-OG1 3.41Å; V161-T164 CarbonylContact O-C 3.56Å; V161-T164 WeakPolarHBondContact O-CA 3.39Å; V161-T164 WeakPolarHBondContact O-CB 3.48Å; V161-T164 PolarHBondContact O-N 3.42Å; V161-T164 VanDerWaalsContact O-N 3.15Å; N162-T164 PolarHBondContact O-N 2.94Å; T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 PolarHBondContact O-N 2.71Å; T164-M167 CarbonylContact O-C 3.57Å; T164-M167 WeakPolarHBondContact O-CA 3.46Å; T164-M167 WeakPolarHBondContact O-CB 3.35Å; T164-M167 PolarHBondContact O-N 2.89Å; T164-G168 PolarHBondContact O-N 2.9Å; T164-F246 VanDerWaalsContact CA-CZ 3.46Å; T164-F246 HydrophobicContact CG2-CD1 4.13Å; T164-F246 HydrophobicContact CG2-CD2 4.07Å; T164-F246 HydrophobicContact CG2-CE1 3.42Å; T164-F246 VanDerWaalsContact CG2-CE1 3.42Å; T164-F246 HydrophobicContact CG2-CE2 3.35Å; T164-F246 HydrophobicContact CG2-CG 4.43Å; T164-F246 HydrophobicContact CG2-CZ 3.01Å; T164-F246 WeakPolarHBondContact O-CE1 3.39Å; T164-F246 WeakPolarHBondContact O-CZ 3.44Å; T164-N250 WeakPolarHBondContact CB-OD1 3.37Å; T164-N250 WeakPolarHBondContact CG2-OD1 3.46Å |
| 165 | V | 85.1 | Confident | 84.2 | Confident | 59 Ų | 59 | 34.7 Ų | 34.7 | 36% | 0.358 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -47.8 | -46 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 113.2 | V161 N162 G168 V169 | V161-V165 HydrophobicContact CG1-CG2 4.49Å; V161-V165 WeakPolarHBondContact O-CG2 3.42Å; V161-V165 PolarHBondContact O-N 3.29Å; N162-V165 PolarHBondContact O-N 3.16Å; V165-G168 WeakPolarHBondContact O-CA 3.44Å; V165-G168 PolarHBondContact O-N 3.19Å; V165-G168 VanDerWaalsContact O-N 3.11Å; V165-V169 PolarHBondContact O-N 3.37Å; V165-V169 VanDerWaalsContact O-N 3.15Å |
| 166 | N | 88.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -39.3 | 177 | -75 | -29.7 | 0 | 0 | 0 | 113.8 | N162 I163 T164 G168 V169 V170 V357 V361 S426 | N162-N166 PolarHBondContact ND2-ND2 2.97Å; N162-N166 PolarHBondContact O-N 3.33Å; N162-N166 PolarHBondContact O-ND2 3.19Å; I163-N166 PolarHBondContact O-N 2.97Å; T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 PolarHBondContact O-N 2.71Å; N166-G168 PolarHBondContact O-N 3.25Å; N166-V169 WeakPolarHBondContact O-CB 3.48Å; N166-V169 PolarHBondContact O-N 3.44Å; N166-V169 VanDerWaalsContact O-N 3.14Å; N166-V170 PolarHBondContact O-N 3.33Å; N166-V357 HydrophobicContact CB-CG1 3.69Å; N166-V361 HydrophobicContact CB-CG2 4.22Å; N166-V361 WeakPolarHBondContact O-CG2 3.38Å; N166-S426 PolarHBondContact ND2-O 2.87Å; N166-S426 PolarHBondContact OD1-N 3.1Å; N166-S426 PolarHBondContact OD1-O 3.39Å |
| 167 | M | 83.9 | Confident | 82.7 | Confident | 80 Ų | 80 | 34.8 Ų | 34.8 | 39% | 0.394 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.9 | -31 | 171.5 | -72.8 | -61.5 | -62.9 | 0 | 0 | 112 | I163 T164 V169 V170 M171 F246 V357 | I163-M167 HydrophobicContact CG2-CG 4.25Å; I163-M167 WeakPolarHBondContact O-CB 3.49Å; I163-M167 VanDerWaalsContact O-CG 3.28Å; I163-M167 WeakPolarHBondContact O-CG 3.37Å; I163-M167 PolarHBondContact O-N 3.16Å; T164-M167 CarbonylContact O-C 3.57Å; T164-M167 WeakPolarHBondContact O-CA 3.46Å; T164-M167 WeakPolarHBondContact O-CB 3.35Å; T164-M167 PolarHBondContact O-N 2.89Å; M167-V169 VanDerWaalsContact C-N 3.3Å; M167-V169 PolarHBondContact O-N 3.13Å; M167-V170 WeakPolarHBondContact O-CB 3.49Å; M167-V170 PolarHBondContact O-N 2.94Å; M167-V170 HydrophobicContact SD-CG2 4.46Å; M167-M171 PolarHBondContact O-N 3.33Å; M167-F246 HydrophobicContact CB-CE2 4.45Å; M167-F246 HydrophobicContact CB-CZ 3.89Å; M167-V357 HydrophobicContact CG-CG1 4.18Å; M167-V357 HydrophobicContact SD-CG1 4.11Å |
| 168 | G | 81.3 | Confident | 82.1 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 24% | 0.237 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T164 V165 N166 M171 H172 | T164-G168 PolarHBondContact O-N 2.9Å; V165-G168 WeakPolarHBondContact O-CA 3.44Å; V165-G168 PolarHBondContact O-N 3.19Å; V165-G168 VanDerWaalsContact O-N 3.11Å; N166-G168 PolarHBondContact O-N 3.25Å; G168-M171 PolarHBondContact O-N 2.66Å; G168-H172 WeakPolarHBondContact O-CB 3.27Å; G168-H172 PolarHBondContact O-N 3.26Å |
| 169 | V | 82.1 | Confident | 81.4 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 172.7 | 177.8 | 0 | 0 | 0 | 0 | 111 | V165 N166 M167 M171 H172 V173 V361 I423 | V165-V169 PolarHBondContact O-N 3.37Å; V165-V169 VanDerWaalsContact O-N 3.15Å; N166-V169 WeakPolarHBondContact O-CB 3.48Å; N166-V169 PolarHBondContact O-N 3.44Å; N166-V169 VanDerWaalsContact O-N 3.14Å; M167-V169 VanDerWaalsContact C-N 3.3Å; M167-V169 PolarHBondContact O-N 3.13Å; V169-M171 VanDerWaalsContact C-N 3.27Å; V169-M171 PolarHBondContact O-N 3.22Å; V169-H172 PolarHBondContact O-N 2.98Å; V169-V173 HydrophobicContact CG1-CG2 4.41Å; V169-V173 WeakPolarHBondContact O-CG2 3.33Å; V169-V173 PolarHBondContact O-N 3.42Å; V169-V361 HydrophobicContact CB-CG1 3.98Å; V169-V361 HydrophobicContact CG1-CG1 3.52Å; V169-I423 HydrophobicContact CG1-CB 4.13Å; V169-I423 HydrophobicContact CG2-CB 4.26Å; V169-I423 HydrophobicContact CG2-CG2 3.78Å |
| 170 | V | 80.6 | Confident | 80.4 | Confident | 46 Ų | 46 | 36.8 Ų | 36.8 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55 | -46.7 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | N166 M167 H172 V173 L174 V361 | N166-V170 PolarHBondContact O-N 3.33Å; M167-V170 WeakPolarHBondContact O-CB 3.49Å; M167-V170 PolarHBondContact O-N 2.94Å; M167-V170 HydrophobicContact SD-CG2 4.46Å; V170-H172 VanDerWaalsContact C-N 3.34Å; V170-H172 PolarHBondContact O-N 2.97Å; V170-V173 PolarHBondContact O-N 3.06Å; V170-L174 WeakPolarHBondContact O-CB 3.37Å; V170-L174 PolarHBondContact O-N 3.01Å; V170-V361 HydrophobicContact CG2-CG2 3.48Å; V170-V361 VanDerWaalsContact CG2-CG2 3.48Å |
| 171 | M | 77.2 | Confident | 79.5 | Confident | 69 Ų | 69 | 39 Ų | 39 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.6 | -39.5 | -178.6 | -167.3 | 62.7 | 66.6 | 0 | 0 | 112 | M167 G168 V169 L174 K175 I242 | M167-M171 PolarHBondContact O-N 3.33Å; G168-M171 PolarHBondContact O-N 2.66Å; V169-M171 VanDerWaalsContact C-N 3.27Å; V169-M171 PolarHBondContact O-N 3.22Å; M171-L174 PolarHBondContact O-N 2.73Å; M171-L174 HydrophobicContact SD-CD2 4.24Å; M171-K175 WeakPolarHBondContact O-CB 3.35Å; M171-K175 PolarHBondContact O-N 2.95Å; M171-I242 HydrophobicContact CE-CG2 3.66Å; M171-I242 HydrophobicContact CG-CG2 3.73Å; M171-I242 HydrophobicContact SD-CD1 4.49Å; M171-I242 HydrophobicContact SD-CG2 3.68Å |
| 172 | H | 77.5 | Confident | 78.8 | Confident | 47 Ų | 47 | 39.3 Ų | 39.3 | 22% | 0.218 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.9 | -175 | -87.8 | 0 | 0 | 0 | 111.8 | G168 V169 V170 L174 K175 C176 I423 | G168-H172 WeakPolarHBondContact O-CB 3.27Å; G168-H172 PolarHBondContact O-N 3.26Å; V169-H172 PolarHBondContact O-N 2.98Å; V170-H172 VanDerWaalsContact C-N 3.34Å; V170-H172 PolarHBondContact O-N 2.97Å; H172-L174 VanDerWaalsContact C-N 3.33Å; H172-L174 PolarHBondContact O-N 3.39Å; H172-K175 WeakPolarHBondContact O-CB 3.22Å; H172-K175 PolarHBondContact O-N 3.37Å; H172-C176 WeakPolarHBondContact O-CB 3.47Å; H172-C176 PolarHBondContact O-N 3.01Å; H172-I423 HydrophobicContact CB-CD1 3.67Å; H172-I423 VanDerWaalsContact ND1-CD1 3.29Å; H172-I423 WeakPolarHBondContact ND1-CD1 3.3Å |
| 173 | V | 77.7 | Confident | 78 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 176.3 | 178 | 0 | 0 | 0 | 0 | 110.7 | V169 V170 C176 T177 L368 | V169-V173 HydrophobicContact CG1-CG2 4.41Å; V169-V173 WeakPolarHBondContact O-CG2 3.33Å; V169-V173 PolarHBondContact O-N 3.42Å; V170-V173 PolarHBondContact O-N 3.06Å; V173-C176 WeakPolarHBondContact O-CB 3.46Å; V173-C176 PolarHBondContact O-N 2.86Å; V173-T177 WeakPolarHBondContact O-CB 3.49Å; V173-T177 PolarHBondContact O-N 3.26Å; V173-T177 PolarHBondContact O-OG1 2.79Å; V173-L368 HydrophobicContact CG1-CB 3.86Å; V173-L368 HydrophobicContact CG1-CD2 3.71Å; V173-L368 HydrophobicContact CG1-CG 4.37Å |
| 174 | L | 76.3 | Confident | 77 | Confident | 93 Ų | 93 | 42.3 Ų | 42.3 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.7 | -178.6 | 65 | 0 | 0 | 0 | 111.6 | V170 M171 H172 C176 T177 S178 | V170-L174 WeakPolarHBondContact O-CB 3.37Å; V170-L174 PolarHBondContact O-N 3.01Å; M171-L174 PolarHBondContact O-N 2.73Å; M171-L174 HydrophobicContact SD-CD2 4.24Å; H172-L174 VanDerWaalsContact C-N 3.33Å; H172-L174 PolarHBondContact O-N 3.39Å; L174-C176 PolarHBondContact O-N 2.91Å; L174-T177 PolarHBondContact O-N 3.46Å; L174-S178 VanDerWaalsContact O-CB 3.27Å; L174-S178 WeakPolarHBondContact O-CB 3.35Å; L174-S178 PolarHBondContact O-N 3.03Å; L174-S178 PolarHBondContact O-OG 3.05Å |
| 175 | K | 75.2 | Confident | 76.3 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -50 | 174.6 | 169.3 | -176.8 | 178.3 | -164 | 0 | 111.2 | M171 H172 T177 S178 E179 E243 | M171-K175 WeakPolarHBondContact O-CB 3.35Å; M171-K175 PolarHBondContact O-N 2.95Å; H172-K175 WeakPolarHBondContact O-CB 3.22Å; H172-K175 PolarHBondContact O-N 3.37Å; K175-T177 PolarHBondContact O-N 3.36Å; K175-S178 WeakPolarHBondContact CA-OG 3.36Å; K175-S178 PolarHBondContact O-N 3.26Å; K175-S178 PolarHBondContact O-OG 2.88Å; K175-E179 VanDerWaalsContact CE-OE1 3.3Å; K175-E179 WeakPolarHBondContact CE-OE1 3.29Å; K175-E179 HydrophobicContact CG-CG 4.42Å; K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 WeakPolarHBondContact O-CG 3.4Å; K175-E179 PolarHBondContact O-N 2.77Å; K175-E243 IonicContact NZ-OE2 2.72Å; K175-E243 PolarHBondContact NZ-OE2 3.45Å |
| 176 | C | 74.6 | Confident | 75.6 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 178.8 | -106.5 | 0 | 0 | 0 | 0 | 113.2 | H172 V173 L174 S178 E179 G180 C421 | H172-C176 WeakPolarHBondContact O-CB 3.47Å; H172-C176 PolarHBondContact O-N 3.01Å; V173-C176 WeakPolarHBondContact O-CB 3.46Å; V173-C176 PolarHBondContact O-N 2.86Å; L174-C176 PolarHBondContact O-N 2.91Å; C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 2.85Å; C176-E179 PolarHBondContact O-N 3.17Å; C176-G180 PolarHBondContact O-N 2.92Å; C176-C421 HydrophobicContact CB-CB 3.32Å; C176-C421 WeakPolarHBondContact CB-SG 3.27Å; C176-C421 VanDerWaalsContact SG-CA 3.53Å; C176-C421 WeakPolarHBondContact SG-CB 3.42Å; C176-C421 CovalentContact SG-SG 2.01Å; C176-C421 PolarHBondContact SG-SG 3.41Å |
| 177 | T | 73.1 | Confident | 74.6 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | V173 L174 K175 G180 F181 | V173-T177 WeakPolarHBondContact O-CB 3.49Å; V173-T177 PolarHBondContact O-N 3.26Å; V173-T177 PolarHBondContact O-OG1 2.79Å; L174-T177 PolarHBondContact O-N 3.46Å; K175-T177 PolarHBondContact O-N 3.36Å; T177-G180 PolarHBondContact O-N 2.78Å; T177-F181 WeakPolarHBondContact O-CB 2.96Å; T177-F181 PolarHBondContact O-N 3.45Å |
| 178 | S | 72.1 | Confident | 73.9 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -79.1 | -32.2 | -179.3 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | L174 K175 C176 F181 V182 F235 | L174-S178 VanDerWaalsContact O-CB 3.27Å; L174-S178 WeakPolarHBondContact O-CB 3.35Å; L174-S178 PolarHBondContact O-N 3.03Å; L174-S178 PolarHBondContact O-OG 3.05Å; K175-S178 WeakPolarHBondContact CA-OG 3.36Å; K175-S178 PolarHBondContact O-N 3.26Å; K175-S178 PolarHBondContact O-OG 2.88Å; C176-S178 VanDerWaalsContact C-N 3.26Å; C176-S178 PolarHBondContact O-N 2.85Å; S178-F181 PolarHBondContact O-N 3.44Å; S178-V182 WeakPolarHBondContact O-CB 3.38Å; S178-V182 VanDerWaalsContact O-CG2 3.27Å; S178-V182 WeakPolarHBondContact O-CG2 3.1Å; S178-V182 PolarHBondContact O-N 3.31Å; S178-F235 VanDerWaalsContact CB-CE1 3.42Å; S178-F235 WeakPolarHBondContact OG-CE1 3.3Å; S178-F235 WeakPolarHBondContact OG-CZ 3.37Å |
| 179 | E | 72.7 | Confident | 73.3 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 166.7 | -78.6 | -179.1 | -179.2 | 0 | 0 | 110.6 | K175 C176 F181 V182 H183 | K175-E179 VanDerWaalsContact CE-OE1 3.3Å; K175-E179 WeakPolarHBondContact CE-OE1 3.29Å; K175-E179 HydrophobicContact CG-CG 4.42Å; K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 WeakPolarHBondContact O-CG 3.4Å; K175-E179 PolarHBondContact O-N 2.77Å; C176-E179 PolarHBondContact O-N 3.17Å; E179-F181 VanDerWaalsContact C-N 3.34Å; E179-F181 PolarHBondContact O-N 2.93Å; E179-V182 PolarHBondContact O-N 3.44Å; E179-H183 VanDerWaalsContact O-CB 3.32Å; E179-H183 WeakPolarHBondContact O-CB 3.36Å; E179-H183 PolarHBondContact O-N 3.29Å |
| 180 | G | 71.4 | Confident | 72.7 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C176 T177 H183 S184 | C176-G180 PolarHBondContact O-N 2.92Å; T177-G180 PolarHBondContact O-N 2.78Å; G180-H183 PolarHBondContact O-N 2.86Å; G180-S184 WeakPolarHBondContact O-CB 3.37Å; G180-S184 PolarHBondContact O-N 3.04Å; G180-S184 PolarHBondContact O-OG 3.16Å; G180-S184 VanDerWaalsContact O-OG 3.09Å |
| 181 | F | 69.5 | Low | 72.4 | Confident | 107 Ų | 107 | 51.2 Ų | 51.2 | 47% | 0.469 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 175.9 | -178.6 | -91.7 | 0 | 0 | 0 | 112.1 | T177 S178 E179 H183 S184 L185 F414 | T177-F181 WeakPolarHBondContact O-CB 2.96Å; T177-F181 PolarHBondContact O-N 3.45Å; S178-F181 PolarHBondContact O-N 3.44Å; E179-F181 VanDerWaalsContact C-N 3.34Å; E179-F181 PolarHBondContact O-N 2.93Å; F181-H183 VanDerWaalsContact C-N 3.34Å; F181-S184 PolarHBondContact O-N 3.07Å; F181-L185 HydrophobicContact CE1-CD1 3.76Å; F181-L185 HydrophobicContact CZ-CD1 4.05Å; F181-L185 WeakPolarHBondContact O-CB 3.45Å; F181-L185 PolarHBondContact O-N 3.43Å; F181-F414 HydrophobicContact CB-CE2 4.15Å; F181-F414 HydrophobicContact CB-CZ 4.11Å; F181-F414 HydrophobicContact CD2-CD2 4.42Å; F181-F414 AromaticContact CD2-CE2 3.35Å; F181-F414 HydrophobicContact CD2-CE2 3.35Å; F181-F414 AromaticContact CD2-CZ 3.58Å; F181-F414 HydrophobicContact CD2-CZ 3.58Å; F181-F414 HydrophobicContact CE2-CE2 4.03Å; F181-F414 HydrophobicContact CE2-CZ 4.48Å; F181-F414 HydrophobicContact CG-CE2 4.05Å; F181-F414 HydrophobicContact CG-CZ 4.29Å |
| 182 | V | 71.6 | Confident | 72.1 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.127 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 109.8 | S178 E179 S184 L185 L186 F235 | S178-V182 WeakPolarHBondContact O-CB 3.38Å; S178-V182 VanDerWaalsContact O-CG2 3.27Å; S178-V182 WeakPolarHBondContact O-CG2 3.1Å; S178-V182 PolarHBondContact O-N 3.31Å; E179-V182 PolarHBondContact O-N 3.44Å; V182-S184 PolarHBondContact O-N 3.22Å; V182-L185 PolarHBondContact O-N 3.03Å; V182-L186 HydrophobicContact CG1-CD1 3.6Å; V182-L186 HydrophobicContact CG1-CG 4Å; V182-L186 WeakPolarHBondContact O-CB 3.12Å; V182-L186 WeakPolarHBondContact O-CG 3.33Å; V182-L186 PolarHBondContact O-N 3.14Å; V182-F235 HydrophobicContact CG2-CB 4.39Å; V182-F235 HydrophobicContact CG2-CD1 4.12Å; V182-F235 HydrophobicContact CG2-CD2 4.13Å; V182-F235 HydrophobicContact CG2-CG 3.9Å |
| 183 | H | 70.9 | Confident | 71.9 | Confident | 89 Ų | 89 | 55 Ų | 55 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 177.8 | -169.9 | 55.4 | 0 | 0 | 0 | 111.8 | E179 G180 F181 L186 N187 | E179-H183 VanDerWaalsContact O-CB 3.32Å; E179-H183 WeakPolarHBondContact O-CB 3.36Å; E179-H183 PolarHBondContact O-N 3.29Å; G180-H183 PolarHBondContact O-N 2.86Å; F181-H183 VanDerWaalsContact C-N 3.34Å; H183-L186 PolarHBondContact O-N 2.88Å; H183-N187 PolarHBondContact NE2-ND2 2.8Å; H183-N187 VanDerWaalsContact NE2-ND2 3.15Å; H183-N187 WeakPolarHBondContact O-CB 3.28Å; H183-N187 VanDerWaalsContact O-CG 3.25Å; H183-N187 PolarHBondContact O-N 3.31Å |
| 184 | S | 70.4 | Confident | 71.9 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 176 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | G180 F181 V182 N187 S188 F414 S415 | G180-S184 WeakPolarHBondContact O-CB 3.37Å; G180-S184 PolarHBondContact O-N 3.04Å; G180-S184 PolarHBondContact O-OG 3.16Å; G180-S184 VanDerWaalsContact O-OG 3.09Å; F181-S184 PolarHBondContact O-N 3.07Å; V182-S184 PolarHBondContact O-N 3.22Å; S184-N187 PolarHBondContact O-N 3.28Å; S184-S188 PolarHBondContact O-N 3.31Å; S184-F414 VanDerWaalsContact CB-CD2 3.44Å; S184-S415 PolarHBondContact OG-O 3.34Å |
| 185 | L | 70.1 | Confident | 71.9 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 178.4 | -172.3 | 144.2 | 0 | 0 | 0 | 111.6 | F181 V182 S188 S189 | F181-L185 HydrophobicContact CE1-CD1 3.76Å; F181-L185 HydrophobicContact CZ-CD1 4.05Å; F181-L185 WeakPolarHBondContact O-CB 3.45Å; F181-L185 PolarHBondContact O-N 3.43Å; V182-L185 PolarHBondContact O-N 3.03Å; L185-S188 WeakPolarHBondContact CA-OG 3.41Å; L185-S188 CarbonylContact O-C 3.58Å; L185-S188 PolarHBondContact O-N 3.03Å; L185-S188 PolarHBondContact O-OG 3.07Å; L185-S189 PolarHBondContact O-N 3.03Å; L185-S189 VanDerWaalsContact O-N 3.11Å |
| 186 | L | 69.8 | Low | 71.9 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.5 | -35.3 | 176.8 | -65 | -179.8 | 0 | 0 | 0 | 112 | V182 H183 S188 S189 V228 K232 | V182-L186 HydrophobicContact CG1-CD1 3.6Å; V182-L186 HydrophobicContact CG1-CG 4Å; V182-L186 WeakPolarHBondContact O-CB 3.12Å; V182-L186 WeakPolarHBondContact O-CG 3.33Å; V182-L186 PolarHBondContact O-N 3.14Å; H183-L186 PolarHBondContact O-N 2.88Å; L186-S188 VanDerWaalsContact C-N 3.28Å; L186-S188 PolarHBondContact O-N 3.38Å; L186-S189 WeakPolarHBondContact O-CB 3.42Å; L186-S189 PolarHBondContact O-N 2.85Å; L186-S189 PolarHBondContact O-OG 3Å; L186-V228 HydrophobicContact CB-CG1 3.92Å; L186-V228 HydrophobicContact CD1-CG1 3.85Å; L186-V228 HydrophobicContact CD2-CB 3.86Å; L186-V228 HydrophobicContact CD2-CG1 3.33Å; L186-V228 HydrophobicContact CD2-CG2 3.89Å; L186-V228 HydrophobicContact CG-CG1 3.83Å; L186-K232 HydrophobicContact CD1-CB 3.72Å; L186-K232 HydrophobicContact CD1-CD 4.22Å; L186-K232 HydrophobicContact CD1-CG 4.1Å |
| 187 | N | 68.2 | Low | 72 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 170 | -70.1 | -10.1 | 0 | 0 | 0 | 111 | H183 S184 S189 | H183-N187 PolarHBondContact NE2-ND2 2.8Å; H183-N187 VanDerWaalsContact NE2-ND2 3.15Å; H183-N187 WeakPolarHBondContact O-CB 3.28Å; H183-N187 VanDerWaalsContact O-CG 3.25Å; H183-N187 PolarHBondContact O-N 3.31Å; S184-N187 PolarHBondContact O-N 3.28Å; N187-S189 PolarHBondContact O-N 3.45Å |
| 188 | S | 68.9 | Low | 72.2 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.6 | -14 | 172.2 | 80.2 | 0 | 0 | 0 | 0 | 113.7 | S184 L185 L186 E190 L191 F192 | S184-S188 PolarHBondContact O-N 3.31Å; L185-S188 WeakPolarHBondContact CA-OG 3.41Å; L185-S188 CarbonylContact O-C 3.58Å; L185-S188 PolarHBondContact O-N 3.03Å; L185-S188 PolarHBondContact O-OG 3.07Å; L186-S188 VanDerWaalsContact C-N 3.28Å; L186-S188 PolarHBondContact O-N 3.38Å; S188-E190 PolarHBondContact O-N 3.39Å; S188-L191 WeakPolarHBondContact O-CB 3.21Å; S188-L191 PolarHBondContact O-N 3.4Å; S188-F192 WeakPolarHBondContact O-CD2 3.5Å; S188-F192 PolarHBondContact O-N 3.25Å; S188-F192 VanDerWaalsContact O-N 3.14Å |
| 189 | S | 69.2 | Low | 72.4 | Confident | 22 Ų | 22 | 58 Ų | 58 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.5 | -27.9 | 178.3 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | L185 L186 N187 L191 F192 Q193 | L185-S189 PolarHBondContact O-N 3.03Å; L185-S189 VanDerWaalsContact O-N 3.11Å; L186-S189 WeakPolarHBondContact O-CB 3.42Å; L186-S189 PolarHBondContact O-N 2.85Å; L186-S189 PolarHBondContact O-OG 3Å; N187-S189 PolarHBondContact O-N 3.45Å; S189-L191 VanDerWaalsContact C-N 3.31Å; S189-L191 PolarHBondContact O-N 3.27Å; S189-F192 PolarHBondContact O-N 3.41Å; S189-Q193 WeakPolarHBondContact O-CG 3.26Å; S189-Q193 PolarHBondContact O-N 3.36Å |
| 190 | E | 70.3 | Confident | 72.5 | Confident | 147 Ų | 147 | 56.2 Ų | 56.2 | 69% | 0.687 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | 172.3 | -67.6 | -169.5 | 166.6 | 0 | 0 | 111.6 | S188 Q193 E194 | S188-E190 PolarHBondContact O-N 3.39Å; E190-Q193 PolarHBondContact O-N 2.97Å; E190-E194 WeakPolarHBondContact O-CB 3.32Å; E190-E194 PolarHBondContact O-N 3.06Å |
| 191 | L | 72.9 | Confident | 72.7 | Confident | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.288 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.9 | -72.5 | 161.5 | 0 | 0 | 0 | 111.6 | S188 S189 Q193 E194 A195 Y410 W412 | S188-L191 WeakPolarHBondContact O-CB 3.21Å; S188-L191 PolarHBondContact O-N 3.4Å; S189-L191 VanDerWaalsContact C-N 3.31Å; S189-L191 PolarHBondContact O-N 3.27Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 3.47Å; L191-E194 PolarHBondContact O-N 3Å; L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 2.96Å; L191-Y410 HydrophobicContact CD2-CD1 4.28Å; L191-W412 HydrophobicContact CD1-CB 3.46Å; L191-W412 VanDerWaalsContact CD1-CB 3.46Å; L191-W412 HydrophobicContact CD1-CG 4.3Å |
| 192 | F | 72 | Confident | 72.9 | Confident | 110 Ų | 110 | 57.8 Ų | 57.8 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.4 | -79.6 | -75.8 | 0 | 0 | 0 | 112.1 | S188 S189 K196 I378 | S188-F192 WeakPolarHBondContact O-CD2 3.5Å; S188-F192 PolarHBondContact O-N 3.25Å; S188-F192 VanDerWaalsContact O-N 3.14Å; S189-F192 PolarHBondContact O-N 3.41Å; F192-K196 VanDerWaalsContact O-CB 3.29Å; F192-K196 WeakPolarHBondContact O-CB 3.39Å; F192-K196 PolarHBondContact O-N 3.48Å; F192-I378 HydrophobicContact CE1-CD1 3.63Å; F192-I378 HydrophobicContact CE2-CD1 4.41Å; F192-I378 HydrophobicContact CZ-CD1 3.44Å; F192-I378 VanDerWaalsContact CZ-CD1 3.44Å |
| 193 | Q | 74 | Confident | 72.8 | Confident | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 173.6 | -73 | -173.3 | 24.6 | 0 | 0 | 111.6 | S189 E190 L191 K196 R197 | S189-Q193 WeakPolarHBondContact O-CG 3.26Å; S189-Q193 PolarHBondContact O-N 3.36Å; E190-Q193 PolarHBondContact O-N 2.97Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 3.47Å; Q193-K196 PolarHBondContact O-N 3.3Å; Q193-R197 WeakPolarHBondContact O-CB 3.44Å; Q193-R197 WeakPolarHBondContact O-CG 3.5Å; Q193-R197 PolarHBondContact O-N 3.33Å |
| 194 | E | 76.9 | Confident | 72.7 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 176.9 | -166.9 | 58.2 | -150.7 | 0 | 0 | 112 | E190 L191 K196 R197 D198 R201 | E190-E194 WeakPolarHBondContact O-CB 3.32Å; E190-E194 PolarHBondContact O-N 3.06Å; L191-E194 PolarHBondContact O-N 3Å; E194-K196 VanDerWaalsContact C-N 3.29Å; E194-K196 PolarHBondContact O-N 3.5Å; E194-R197 PolarHBondContact O-N 2.9Å; E194-R197 VanDerWaalsContact O-N 3.16Å; E194-R197 IonicContact OE2-CZ 3.23Å; E194-R197 VanDerWaalsContact OE2-CZ 3.23Å; E194-R197 IonicContact OE2-NE 2.9Å; E194-R197 PolarHBondContact OE2-NE 3.21Å; E194-R197 IonicContact OE2-NH2 3.54Å; E194-R197 PolarHBondContact OE2-NH2 3.41Å; E194-D198 WeakPolarHBondContact O-CB 3.12Å; E194-D198 PolarHBondContact O-N 3.07Å; E194-R201 IonicContact OE1-CZ 3.76Å; E194-R201 IonicContact OE1-NH1 3.58Å; E194-R201 PolarHBondContact OE1-NH1 3.19Å; E194-R201 IonicContact OE1-NH2 2.71Å; E194-R201 PolarHBondContact OE1-NH2 3.29Å |
| 195 | A | 76.6 | Confident | 72.6 | Confident | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L191 L199 V380 Y410 | L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 2.96Å; A195-L199 WeakPolarHBondContact O-CB 3.41Å; A195-L199 PolarHBondContact O-N 3.4Å; A195-V380 HydrophobicContact CB-CG2 4.45Å; A195-Y410 WeakPolarHBondContact CA-OH 3.43Å; A195-Y410 HydrophobicContact CB-CD1 4.41Å; A195-Y410 HydrophobicContact CB-CD2 4.07Å; A195-Y410 HydrophobicContact CB-CE1 4.04Å; A195-Y410 HydrophobicContact CB-CE2 3.68Å; A195-Y410 HydrophobicContact CB-CG 4.42Å |
| 196 | K | 74.7 | Confident | 72.4 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 21% | 0.213 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 172.8 | -174.3 | -178.5 | 67.6 | 160 | 0 | 111.4 | F192 Q193 E194 D198 L199 V200 D221 | F192-K196 VanDerWaalsContact O-CB 3.29Å; F192-K196 WeakPolarHBondContact O-CB 3.39Å; F192-K196 PolarHBondContact O-N 3.48Å; Q193-K196 PolarHBondContact O-N 3.3Å; E194-K196 VanDerWaalsContact C-N 3.29Å; E194-K196 PolarHBondContact O-N 3.5Å; K196-D198 PolarHBondContact O-N 3.39Å; K196-L199 PolarHBondContact O-N 2.85Å; K196-V200 HydrophobicContact CG-CG2 4.48Å; K196-V200 WeakPolarHBondContact O-CB 2.97Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.36Å; K196-V200 PolarHBondContact O-N 3.42Å; K196-D221 WeakPolarHBondContact CD-OD1 3.42Å; K196-D221 WeakPolarHBondContact CE-OD1 3.23Å; K196-D221 IonicContact NZ-OD1 2.82Å; K196-D221 PolarHBondContact NZ-OD1 2.81Å |
| 197 | R | 76.5 | Confident | 71.7 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 177.8 | -78.8 | -169 | -70.7 | -120.4 | 2.1 | 111.3 | Q193 E194 V200 R201 | Q193-R197 WeakPolarHBondContact O-CB 3.44Å; Q193-R197 WeakPolarHBondContact O-CG 3.5Å; Q193-R197 PolarHBondContact O-N 3.33Å; E194-R197 PolarHBondContact O-N 2.9Å; E194-R197 VanDerWaalsContact O-N 3.16Å; E194-R197 IonicContact OE2-CZ 3.23Å; E194-R197 VanDerWaalsContact OE2-CZ 3.23Å; E194-R197 IonicContact OE2-NE 2.9Å; E194-R197 PolarHBondContact OE2-NE 3.21Å; E194-R197 IonicContact OE2-NH2 3.54Å; E194-R197 PolarHBondContact OE2-NH2 3.41Å; R197-V200 PolarHBondContact O-N 3.34Å; R197-R201 WeakPolarHBondContact O-CB 3.41Å; R197-R201 WeakPolarHBondContact O-CG 3.4Å; R197-R201 PolarHBondContact O-N 3.01Å |
| 198 | D | 78.4 | Confident | 70.8 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.3 | -78.1 | -21.3 | 0 | 0 | 0 | 111.9 | E194 K196 R201 E202 L406 K408 Y410 | E194-D198 WeakPolarHBondContact O-CB 3.12Å; E194-D198 PolarHBondContact O-N 3.07Å; K196-D198 PolarHBondContact O-N 3.39Å; D198-R201 PolarHBondContact O-N 3.15Å; D198-R201 IonicContact OD1-CZ 3.9Å; D198-R201 IonicContact OD1-NH1 3.75Å; D198-R201 PolarHBondContact OD1-NH1 3.49Å; D198-E202 WeakPolarHBondContact O-CB 3.28Å; D198-E202 PolarHBondContact O-N 2.88Å; D198-L406 HydrophobicContact CB-CD2 4.32Å; D198-K408 IonicContact OD2-NZ 2.71Å; D198-K408 PolarHBondContact OD2-NZ 3.01Å; D198-Y410 WeakPolarHBondContact CB-OH 3.39Å; D198-Y410 PolarHBondContact OD2-OH 3.19Å |
| 199 | L | 75.3 | Confident | 70.1 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.8 | -177.6 | 67.4 | 0 | 0 | 0 | 112 | A195 K196 E202 A203 Y382 L406 | A195-L199 WeakPolarHBondContact O-CB 3.41Å; A195-L199 PolarHBondContact O-N 3.4Å; K196-L199 PolarHBondContact O-N 2.85Å; L199-E202 PolarHBondContact O-N 2.94Å; L199-A203 WeakPolarHBondContact O-CB 3.37Å; L199-A203 PolarHBondContact O-N 3.22Å; L199-Y382 HydrophobicContact CD1-CD1 3.59Å; L199-Y382 HydrophobicContact CD1-CD2 3.72Å; L199-Y382 HydrophobicContact CD1-CE1 4.06Å; L199-Y382 HydrophobicContact CD1-CE2 4.22Å; L199-Y382 HydrophobicContact CD1-CG 3.38Å; L199-L406 HydrophobicContact CB-CD2 4.45Å; L199-L406 HydrophobicContact CD1-CD2 4.43Å |
| 200 | V | 75.4 | Confident | 69.4 | Low | 33 Ų | 33 | 79.7 Ų | 79.7 | 20% | 0.2 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 178.9 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | K196 R197 E202 A203 I204 | K196-V200 HydrophobicContact CG-CG2 4.48Å; K196-V200 WeakPolarHBondContact O-CB 2.97Å; K196-V200 VanDerWaalsContact O-CG2 3.31Å; K196-V200 WeakPolarHBondContact O-CG2 3.36Å; K196-V200 PolarHBondContact O-N 3.42Å; R197-V200 PolarHBondContact O-N 3.34Å; V200-E202 VanDerWaalsContact C-N 3.34Å; V200-E202 PolarHBondContact O-N 3.24Å; V200-A203 PolarHBondContact O-N 3.36Å; V200-I204 HydrophobicContact CG1-CD1 3.65Å; V200-I204 HydrophobicContact CG1-CG1 4.35Å; V200-I204 WeakPolarHBondContact O-CB 3.08Å; V200-I204 WeakPolarHBondContact O-CD1 3.24Å; V200-I204 WeakPolarHBondContact O-CG1 3.06Å; V200-I204 PolarHBondContact O-N 3.27Å |
| 201 | R | 74.6 | Confident | 68.7 | Low | 112 Ų | 112 | 79.3 Ų | 79.3 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.3 | -76.2 | 173.8 | -161.5 | 139.8 | -1.6 | 110.9 | E194 R197 D198 I204 K205 | E194-R201 IonicContact OE1-CZ 3.76Å; E194-R201 IonicContact OE1-NH1 3.58Å; E194-R201 PolarHBondContact OE1-NH1 3.19Å; E194-R201 IonicContact OE1-NH2 2.71Å; E194-R201 PolarHBondContact OE1-NH2 3.29Å; R197-R201 WeakPolarHBondContact O-CB 3.41Å; R197-R201 WeakPolarHBondContact O-CG 3.4Å; R197-R201 PolarHBondContact O-N 3.01Å; D198-R201 PolarHBondContact O-N 3.15Å; D198-R201 IonicContact OD1-CZ 3.9Å; D198-R201 IonicContact OD1-NH1 3.75Å; D198-R201 PolarHBondContact OD1-NH1 3.49Å; R201-I204 PolarHBondContact O-N 2.94Å; R201-K205 WeakPolarHBondContact O-CG 3.12Å; R201-K205 PolarHBondContact O-N 3.24Å; R201-K205 VanDerWaalsContact O-N 3.12Å |
| 202 | E | 73.9 | Confident | 68.1 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 19% | 0.187 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | -178.3 | -161.5 | 65.6 | -168.1 | 0 | 0 | 111.8 | D198 L199 V200 I204 K205 A404 L406 | D198-E202 WeakPolarHBondContact O-CB 3.28Å; D198-E202 PolarHBondContact O-N 2.88Å; L199-E202 PolarHBondContact O-N 2.94Å; V200-E202 VanDerWaalsContact C-N 3.34Å; V200-E202 PolarHBondContact O-N 3.24Å; E202-I204 VanDerWaalsContact C-N 3.32Å; E202-I204 PolarHBondContact O-N 3.14Å; E202-K205 PolarHBondContact O-N 3.15Å; E202-K205 WeakPolarHBondContact OE2-CD 3.38Å; E202-K205 IonicContact OE2-NZ 3.45Å; E202-K205 PolarHBondContact OE2-NZ 3.45Å; E202-A404 HydrophobicContact CG-CB 3.99Å; E202-L406 HydrophobicContact CB-CB 4.49Å; E202-L406 HydrophobicContact CG-CB 4.19Å |
| 203 | A | 70.8 | Confident | 67.7 | Low | 3 Ų | 3 | 79.1 Ų | 79.1 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.3 | -26.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L199 V200 L217 Y382 | L199-A203 WeakPolarHBondContact O-CB 3.37Å; L199-A203 PolarHBondContact O-N 3.22Å; V200-A203 PolarHBondContact O-N 3.36Å; A203-L217 HydrophobicContact CB-CD1 3.26Å; A203-Y382 HydrophobicContact CB-CE1 4.36Å |
| 204 | I | 67.6 | Low | 67.2 | Low | 82 Ų | 82 | 76.1 Ų | 76.1 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.7 | -35 | 173.5 | -70 | 165.4 | 0 | 0 | 0 | 111.1 | V200 R201 E202 V206 E207 | V200-I204 HydrophobicContact CG1-CD1 3.65Å; V200-I204 HydrophobicContact CG1-CG1 4.35Å; V200-I204 WeakPolarHBondContact O-CB 3.08Å; V200-I204 WeakPolarHBondContact O-CD1 3.24Å; V200-I204 WeakPolarHBondContact O-CG1 3.06Å; V200-I204 PolarHBondContact O-N 3.27Å; R201-I204 PolarHBondContact O-N 2.94Å; E202-I204 VanDerWaalsContact C-N 3.32Å; E202-I204 PolarHBondContact O-N 3.14Å; I204-V206 PolarHBondContact O-N 3.37Å; I204-E207 WeakPolarHBondContact O-CB 3.5Å; I204-E207 PolarHBondContact O-N 3.07Å |
| 205 | K | 67.9 | Low | 66.6 | Low | 150 Ų | 150 | 78.5 Ų | 78.5 | 65% | 0.652 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.4 | -24.2 | 176.8 | -71.1 | 177.5 | -166.5 | 163.1 | 0 | 113.6 | R201 E202 E207 | R201-K205 WeakPolarHBondContact O-CG 3.12Å; R201-K205 PolarHBondContact O-N 3.24Å; R201-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 PolarHBondContact O-N 3.15Å; E202-K205 WeakPolarHBondContact OE2-CD 3.38Å; E202-K205 IonicContact OE2-NZ 3.45Å; E202-K205 PolarHBondContact OE2-NZ 3.45Å; K205-E207 PolarHBondContact O-N 3.3Å |
| 206 | V | 65.8 | Low | 66.1 | Low | 26 Ų | 26 | 85.5 Ų | 85.5 | 16% | 0.158 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.7 | 175.6 | 169.7 | 0 | 0 | 0 | 0 | 112 | I204 Q208 I384 L403 A404 | I204-V206 PolarHBondContact O-N 3.37Å; V206-Q208 PolarHBondContact O-N 2.75Å; V206-I384 HydrophobicContact CB-CD1 4.33Å; V206-I384 HydrophobicContact CG1-CD1 4.13Å; V206-I384 HydrophobicContact CG1-CG2 4.38Å; V206-I384 HydrophobicContact CG2-CD1 3.76Å; V206-L403 HydrophobicContact CG1-CB 4.09Å; V206-L403 HydrophobicContact CG1-CD2 3.6Å; V206-L403 HydrophobicContact CG1-CG 4.39Å; V206-L403 HydrophobicContact CG2-CB 4.21Å; V206-A404 HydrophobicContact CG2-CB 3.32Å |
| 207 | E | 55.1 | Low | 65.7 | Low | 78 Ų | 78 | 84.7 Ų | 84.7 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | trans | -78.7 | 100.8 | -177.9 | -154.3 | 171.1 | -145.1 | 0 | 0 | 112 | I204 K205 L211 V214 | I204-E207 WeakPolarHBondContact O-CB 3.5Å; I204-E207 PolarHBondContact O-N 3.07Å; K205-E207 PolarHBondContact O-N 3.3Å; E207-L211 WeakPolarHBondContact OE1-CA 3.31Å; E207-V214 HydrophobicContact CG-CG2 4.48Å | ||
| 208 | Q | 50.3 | Low | 65.2 | Low | 188 Ų | 188 | 87.4 Ų | 87.4 | 88% | 0.879 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -121.9 | -3.9 | 138.8 | -133.3 | 169.6 | -0.2 | 0 | 0 | 115.3 | V206 | V206-Q208 PolarHBondContact O-N 2.75Š|
| 209 | E | 53.7 | Low | 64.7 | Low | 169 Ų | 169 | 93.2 Ų | 93.2 | 79% | 0.79 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -145 | -5.6 | -179.2 | -68.3 | -170.1 | 163.6 | 0 | 0 | 119.9 | ||
| 210 | E | 54.8 | Low | 64.3 | Low | 112 Ų | 112 | 96.6 Ų | 96.6 | 52% | 0.523 | 45% | 0.447 | S | S | . | . | trans | -132.3 | 91.1 | -178.9 | -71.5 | -156.6 | 174.1 | 0 | 0 | 116.8 | N212 I213 | E210-N212 PolarHBondContact O-N 3.49Å; E210-I213 HydrophobicContact CB-CD1 4.39Å; E210-I213 PolarHBondContact O-N 3Å | ||
| 211 | L | 56.5 | Low | 63.8 | Low | 139 Ų | 139 | 98.1 Ų | 98.1 | 73% | 0.728 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -52.7 | -20 | 173.4 | -79.3 | 155.3 | 0 | 0 | 0 | 115.1 | E207 N215 | E207-L211 WeakPolarHBondContact OE1-CA 3.31Å; L211-N215 PolarHBondContact O-N 2.9Å |
| 212 | N | 60.4 | Low | 63.5 | Low | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -76 | -27 | -176.1 | -79.1 | -27 | 0 | 0 | 0 | 114.2 | E210 R216 | E210-N212 PolarHBondContact O-N 3.49Å; N212-R216 WeakPolarHBondContact O-CG 3.35Å; N212-R216 PolarHBondContact O-N 3.28Å; N212-R216 PolarHBondContact O-NE 2.91Å |
| 213 | I | 62.2 | Low | 62.8 | Low | 55 Ų | 55 | 105.7 Ų | 105.7 | 28% | 0.282 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78.9 | -44.7 | -178.1 | -62.8 | 173.9 | 0 | 0 | 0 | 110.1 | E210 N215 R216 L217 | E210-I213 HydrophobicContact CB-CD1 4.39Å; E210-I213 PolarHBondContact O-N 3Å; I213-N215 VanDerWaalsContact C-N 3.32Å; I213-N215 PolarHBondContact O-N 3.38Å; I213-R216 PolarHBondContact O-N 3.08Å; I213-L217 HydrophobicContact CG2-CD1 3.84Å; I213-L217 HydrophobicContact CG2-CG 4.44Å; I213-L217 WeakPolarHBondContact O-CG 3.32Å; I213-L217 PolarHBondContact O-N 3.38Å |
| 214 | V | 63.1 | Low | 62.5 | Low | 21 Ų | 21 | 107.9 Ų | 107.9 | 13% | 0.127 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | E207 R216 L217 R218 | E207-V214 HydrophobicContact CG-CG2 4.48Å; V214-R216 VanDerWaalsContact C-N 3.34Å; V214-R216 PolarHBondContact O-N 3.17Å; V214-L217 PolarHBondContact O-N 3.38Å; V214-R218 WeakPolarHBondContact O-CB 3.38Å; V214-R218 PolarHBondContact O-N 2.85Å |
| 215 | N | 65.8 | Low | 62.4 | Low | 103 Ų | 103 | 110.4 Ų | 110.4 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | 178 | -126.2 | 5 | 0 | 0 | 0 | 112 | L211 I213 K219 | L211-N215 PolarHBondContact O-N 2.9Å; I213-N215 VanDerWaalsContact C-N 3.32Å; I213-N215 PolarHBondContact O-N 3.38Å; N215-K219 VanDerWaalsContact O-CB 3.24Å; N215-K219 WeakPolarHBondContact O-CB 3.3Å; N215-K219 PolarHBondContact O-N 3.34Å |
| 216 | R | 66.4 | Low | 62.2 | Low | 161 Ų | 161 | 109.3 Ų | 109.3 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | 173.8 | -83 | -173.5 | -81.5 | -114.8 | 4.3 | 112.4 | N212 I213 V214 K219 F220 | N212-R216 WeakPolarHBondContact O-CG 3.35Å; N212-R216 PolarHBondContact O-N 3.28Å; N212-R216 PolarHBondContact O-NE 2.91Å; I213-R216 PolarHBondContact O-N 3.08Å; V214-R216 VanDerWaalsContact C-N 3.34Å; V214-R216 PolarHBondContact O-N 3.17Å; R216-K219 PolarHBondContact O-N 3.17Å; R216-F220 WeakPolarHBondContact O-CB 3.31Å; R216-F220 PolarHBondContact O-N 3.26Å |
| 217 | L | 65.8 | Low | 62.4 | Low | 32 Ų | 32 | 111.7 Ų | 111.7 | 17% | 0.168 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -72.4 | -38.5 | 178.4 | -71.7 | 169.9 | 0 | 0 | 0 | 112.6 | A203 I213 V214 K219 F220 D221 | A203-L217 HydrophobicContact CB-CD1 3.26Å; I213-L217 HydrophobicContact CG2-CD1 3.84Å; I213-L217 HydrophobicContact CG2-CG 4.44Å; I213-L217 WeakPolarHBondContact O-CG 3.32Å; I213-L217 PolarHBondContact O-N 3.38Å; V214-L217 PolarHBondContact O-N 3.38Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 3.43Å; L217-F220 WeakPolarHBondContact O-CB 3.36Å; L217-F220 PolarHBondContact O-N 2.87Å; L217-D221 WeakPolarHBondContact O-CB 3.43Å; L217-D221 PolarHBondContact O-N 3.23Å |
| 218 | R | 65.1 | Low | 63.1 | Low | 169 Ų | 169 | 109.8 Ų | 109.8 | 64% | 0.638 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -36.5 | 172.1 | -168.5 | -176.9 | -76.8 | 169.5 | -3.7 | 111.2 | V214 D221 H222 | V214-R218 WeakPolarHBondContact O-CB 3.38Å; V214-R218 PolarHBondContact O-N 2.85Å; R218-D221 WeakPolarHBondContact O-CB 3.41Å; R218-D221 PolarHBondContact O-N 3.45Å; R218-H222 PolarHBondContact O-N 2.9Å |
| 219 | K | 68.1 | Low | 64.2 | Low | 140 Ų | 140 | 103.9 Ų | 103.9 | 61% | 0.609 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 172.5 | -157.1 | 174.1 | -171 | 178.6 | 0 | 111.3 | N215 R216 L217 H222 F223 | N215-K219 VanDerWaalsContact O-CB 3.24Å; N215-K219 WeakPolarHBondContact O-CB 3.3Å; N215-K219 PolarHBondContact O-N 3.34Å; R216-K219 PolarHBondContact O-N 3.17Å; L217-K219 VanDerWaalsContact C-N 3.3Å; L217-K219 PolarHBondContact O-N 3.43Å; K219-H222 PolarHBondContact O-N 3.31Å; K219-F223 HydrophobicContact CD-CE2 4.41Å; K219-F223 HydrophobicContact CG-CD2 4.05Å; K219-F223 HydrophobicContact CG-CE2 3.83Å; K219-F223 WeakPolarHBondContact O-CD2 3.49Å; K219-F223 PolarHBondContact O-N 2.97Å; K219-F223 VanDerWaalsContact O-N 3.08Å |
| 220 | F | 66.4 | Low | 65.3 | Low | 111 Ų | 111 | 102.6 Ų | 102.6 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 173.8 | -178.8 | -98.7 | 0 | 0 | 0 | 112.6 | R216 L217 H222 F223 T224 | R216-F220 WeakPolarHBondContact O-CB 3.31Å; R216-F220 PolarHBondContact O-N 3.26Å; L217-F220 WeakPolarHBondContact O-CB 3.36Å; L217-F220 PolarHBondContact O-N 2.87Å; F220-H222 VanDerWaalsContact C-N 3.32Å; F220-H222 PolarHBondContact O-N 3.45Å; F220-F223 PolarHBondContact O-N 2.97Å; F220-T224 HydrophobicContact CD1-CG2 4.28Å; F220-T224 HydrophobicContact CD2-CG2 4.08Å; F220-T224 HydrophobicContact CE1-CG2 3.93Å; F220-T224 HydrophobicContact CE2-CG2 3.71Å; F220-T224 HydrophobicContact CG-CG2 4.35Å; F220-T224 HydrophobicContact CZ-CG2 3.64Å; F220-T224 WeakPolarHBondContact O-CB 3.26Å; F220-T224 WeakPolarHBondContact O-CG2 3.36Å; F220-T224 PolarHBondContact O-N 3.29Å; F220-T224 PolarHBondContact O-OG1 2.95Å |
| 221 | D | 66.1 | Low | 66.2 | Low | 64 Ų | 64 | 100.6 Ų | 100.6 | 34% | 0.342 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 175.1 | -177.5 | 62 | 0 | 0 | 0 | 112.2 | K196 L217 R218 | K196-D221 WeakPolarHBondContact CD-OD1 3.42Å; K196-D221 WeakPolarHBondContact CE-OD1 3.23Å; K196-D221 IonicContact NZ-OD1 2.82Å; K196-D221 PolarHBondContact NZ-OD1 2.81Å; L217-D221 WeakPolarHBondContact O-CB 3.43Å; L217-D221 PolarHBondContact O-N 3.23Å; R218-D221 WeakPolarHBondContact O-CB 3.41Å; R218-D221 PolarHBondContact O-N 3.45Å |
| 222 | H | 67.1 | Low | 67 | Low | 153 Ų | 153 | 99.1 Ų | 99.1 | 71% | 0.708 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.1 | -40.9 | 176.2 | -168.5 | 65.8 | 0 | 0 | 0 | 112.7 | R218 K219 F220 T224 | R218-H222 PolarHBondContact O-N 2.9Å; K219-H222 PolarHBondContact O-N 3.31Å; F220-H222 VanDerWaalsContact C-N 3.32Å; F220-H222 PolarHBondContact O-N 3.45Å; H222-T224 VanDerWaalsContact C-N 3.35Å; H222-T224 PolarHBondContact O-N 2.89Å |
| 223 | F | 59.6 | Low | 67.9 | Low | 159 Ų | 159 | 98.9 Ų | 98.9 | 70% | 0.697 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.7 | -24.8 | 179.9 | -85.7 | -68.4 | 0 | 0 | 0 | 114.2 | K219 F220 | K219-F223 HydrophobicContact CD-CE2 4.41Å; K219-F223 HydrophobicContact CG-CD2 4.05Å; K219-F223 HydrophobicContact CG-CE2 3.83Å; K219-F223 WeakPolarHBondContact O-CD2 3.49Å; K219-F223 PolarHBondContact O-N 2.97Å; K219-F223 VanDerWaalsContact O-N 3.08Å; F220-F223 PolarHBondContact O-N 2.97Å |
| 224 | T | 64.1 | Low | 68.8 | Low | 49 Ų | 49 | 100.1 Ų | 100.1 | 30% | 0.301 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 14 | -176.4 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | F220 H222 I226 | F220-T224 HydrophobicContact CD1-CG2 4.28Å; F220-T224 HydrophobicContact CD2-CG2 4.08Å; F220-T224 HydrophobicContact CE1-CG2 3.93Å; F220-T224 HydrophobicContact CE2-CG2 3.71Å; F220-T224 HydrophobicContact CG-CG2 4.35Å; F220-T224 HydrophobicContact CZ-CG2 3.64Å; F220-T224 WeakPolarHBondContact O-CB 3.26Å; F220-T224 WeakPolarHBondContact O-CG2 3.36Å; F220-T224 PolarHBondContact O-N 3.29Å; F220-T224 PolarHBondContact O-OG1 2.95Å; H222-T224 VanDerWaalsContact C-N 3.35Å; H222-T224 PolarHBondContact O-N 2.89Å; T224-I226 PolarHBondContact O-N 3.46Å |
| 225 | H | 65.7 | Low | 69.4 | Low | 134 Ų | 134 | 102.4 Ų | 102.4 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | trans | -69.4 | 96.8 | 174 | -169.9 | 78.5 | 0 | 0 | 0 | 110.5 | D227 | H225-D227 PolarHBondContact O-N 3.44Š| ||
| 226 | I | 65 | Low | 69.8 | Low | 127 Ų | 127 | 99.4 Ų | 99.4 | 65% | 0.651 | 48% | 0.476 | S | S | * | . | trans | -84.1 | 111.6 | 175 | -60.6 | 170.7 | 0 | 0 | 0 | 107.9 | T224 V228 | T224-I226 PolarHBondContact O-N 3.46Å; I226-V228 PolarHBondContact O-N 3.21Å | ||
| 227 | D | 68.7 | Low | 70.5 | Confident | 76 Ų | 76 | 95.9 Ų | 95.9 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | trans | -73.4 | 92.5 | 173.9 | -172.7 | -12.4 | 0 | 0 | 0 | 110.3 | H225 S229 K230 V231 | H225-D227 PolarHBondContact O-N 3.44Å; D227-S229 PolarHBondContact O-N 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.32Å; D227-S229 PolarHBondContact OD1-N 3.36Å; D227-S229 PolarHBondContact OD1-OG 2.87Å; D227-K230 HydrophobicContact CB-CB 4.12Å; D227-K230 PolarHBondContact O-N 3.35Å; D227-K230 PolarHBondContact OD1-N 3.44Å; D227-V231 PolarHBondContact O-N 3.33Å | ||
| 228 | V | 70.3 | Confident | 71.3 | Confident | 39 Ų | 39 | 97.8 Ų | 97.8 | 24% | 0.236 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -52.3 | -35.9 | 175.8 | 161.3 | 0 | 0 | 0 | 0 | 112.3 | L186 I226 K232 | L186-V228 HydrophobicContact CB-CG1 3.92Å; L186-V228 HydrophobicContact CD1-CG1 3.85Å; L186-V228 HydrophobicContact CD2-CB 3.86Å; L186-V228 HydrophobicContact CD2-CG1 3.33Å; L186-V228 HydrophobicContact CD2-CG2 3.89Å; L186-V228 HydrophobicContact CG-CG1 3.83Å; I226-V228 PolarHBondContact O-N 3.21Å; V228-K232 PolarHBondContact O-N 3.26Å; V228-K232 VanDerWaalsContact O-N 3.13Å |
| 229 | S | 73 | Confident | 71.7 | Confident | 64 Ų | 64 | 90.4 Ų | 90.4 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.5 | -37.2 | -177.4 | 77.8 | 0 | 0 | 0 | 0 | 112 | D227 K232 N233 | D227-S229 PolarHBondContact O-N 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.32Å; D227-S229 PolarHBondContact OD1-N 3.36Å; D227-S229 PolarHBondContact OD1-OG 2.87Å; S229-K232 PolarHBondContact O-N 3.01Å; S229-N233 WeakPolarHBondContact O-CB 3.47Å; S229-N233 VanDerWaalsContact O-CG 3.25Å; S229-N233 PolarHBondContact O-N 2.99Å; S229-N233 PolarHBondContact O-ND2 2.87Å |
| 230 | K | 77.1 | Confident | 72.1 | Confident | 142 Ų | 142 | 89.8 Ų | 89.8 | 62% | 0.617 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.2 | -45.2 | 176.8 | -170.6 | 174 | -177.8 | 177.7 | 0 | 111.5 | D227 K232 N233 T234 | D227-K230 HydrophobicContact CB-CB 4.12Å; D227-K230 PolarHBondContact O-N 3.35Å; D227-K230 PolarHBondContact OD1-N 3.44Å; K230-K232 PolarHBondContact O-N 3.11Å; K230-N233 PolarHBondContact O-N 2.69Å; K230-T234 PolarHBondContact O-N 3.47Å; K230-T234 PolarHBondContact O-OG1 3.47Å; K230-T234 VanDerWaalsContact O-OG1 3.09Å |
| 231 | V | 74.6 | Confident | 72.9 | Confident | 70 Ų | 70 | 90 Ų | 90 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 177.4 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | D227 N233 T234 F235 | D227-V231 PolarHBondContact O-N 3.33Å; V231-N233 PolarHBondContact O-N 3.17Å; V231-T234 PolarHBondContact O-N 3.47Å; V231-F235 WeakPolarHBondContact O-CB 3.43Å; V231-F235 PolarHBondContact O-N 3.48Å; V231-F235 VanDerWaalsContact O-N 3.14Å |
| 232 | K | 73.4 | Confident | 73.4 | Confident | 108 Ų | 108 | 90.3 Ų | 90.3 | 47% | 0.47 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.4 | -50 | 174.9 | -171 | 178.9 | 177.3 | 179 | 0 | 111.9 | L186 V228 S229 K230 F235 V236 | L186-K232 HydrophobicContact CD1-CB 3.72Å; L186-K232 HydrophobicContact CD1-CD 4.22Å; L186-K232 HydrophobicContact CD1-CG 4.1Å; V228-K232 PolarHBondContact O-N 3.26Å; V228-K232 VanDerWaalsContact O-N 3.13Å; S229-K232 PolarHBondContact O-N 3.01Å; K230-K232 PolarHBondContact O-N 3.11Å; K232-F235 PolarHBondContact O-N 2.89Å; K232-V236 WeakPolarHBondContact O-CG2 3.34Å; K232-V236 PolarHBondContact O-N 2.8Å; K232-V236 VanDerWaalsContact O-N 3.11Å |
| 233 | N | 78.4 | Confident | 73.7 | Confident | 99 Ų | 99 | 87.4 Ų | 87.4 | 53% | 0.529 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | -176.2 | -73.8 | -15.1 | 0 | 0 | 0 | 112.7 | S229 K230 V231 F235 T237 | S229-N233 WeakPolarHBondContact O-CB 3.47Å; S229-N233 VanDerWaalsContact O-CG 3.25Å; S229-N233 PolarHBondContact O-N 2.99Å; S229-N233 PolarHBondContact O-ND2 2.87Å; K230-N233 PolarHBondContact O-N 2.69Å; V231-N233 PolarHBondContact O-N 3.17Å; N233-F235 VanDerWaalsContact C-N 3.35Å; N233-T237 VanDerWaalsContact O-CB 3.31Å; N233-T237 WeakPolarHBondContact O-CB 3.37Å; N233-T237 PolarHBondContact O-N 2.94Å; N233-T237 PolarHBondContact O-OG1 3.18Å |
| 234 | T | 81.3 | Confident | 74.7 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.9 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | K230 V231 T237 V238 | K230-T234 PolarHBondContact O-N 3.47Å; K230-T234 PolarHBondContact O-OG1 3.47Å; K230-T234 VanDerWaalsContact O-OG1 3.09Å; V231-T234 PolarHBondContact O-N 3.47Å; T234-T237 PolarHBondContact O-N 3.32Å; T234-V238 WeakPolarHBondContact O-CG2 3.17Å; T234-V238 PolarHBondContact O-N 3.49Å |
| 235 | F | 75 | Confident | 75.6 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 31% | 0.307 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | -176.9 | -160.8 | -84.8 | 0 | 0 | 0 | 113.1 | S178 V182 V231 K232 N233 T237 S239 | S178-F235 VanDerWaalsContact CB-CE1 3.42Å; S178-F235 WeakPolarHBondContact OG-CE1 3.3Å; S178-F235 WeakPolarHBondContact OG-CZ 3.37Å; V182-F235 HydrophobicContact CG2-CB 4.39Å; V182-F235 HydrophobicContact CG2-CD1 4.12Å; V182-F235 HydrophobicContact CG2-CD2 4.13Å; V182-F235 HydrophobicContact CG2-CG 3.9Å; V231-F235 WeakPolarHBondContact O-CB 3.43Å; V231-F235 PolarHBondContact O-N 3.48Å; V231-F235 VanDerWaalsContact O-N 3.14Å; K232-F235 PolarHBondContact O-N 2.89Å; N233-F235 VanDerWaalsContact C-N 3.35Å; F235-T237 VanDerWaalsContact C-N 3.32Å; F235-T237 PolarHBondContact O-N 3.13Å; F235-S239 WeakPolarHBondContact O-CB 3.28Å; F235-S239 PolarHBondContact O-N 2.86Å; F235-S239 VanDerWaalsContact O-N 3.11Å; F235-S239 PolarHBondContact O-OG 3.06Å |
| 236 | V | 74.4 | Confident | 76.1 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 24% | 0.236 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | K232 K240 | K232-V236 WeakPolarHBondContact O-CG2 3.34Å; K232-V236 PolarHBondContact O-N 2.8Å; K232-V236 VanDerWaalsContact O-N 3.11Å; V236-K240 HydrophobicContact CG1-CD 4.08Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 WeakPolarHBondContact O-CG 3.4Å; V236-K240 PolarHBondContact O-N 2.91Å |
| 237 | T | 82.3 | Confident | 76.7 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 53% | 0.534 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -49.8 | 179.3 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | N233 T234 F235 S239 K240 Q241 | N233-T237 VanDerWaalsContact O-CB 3.31Å; N233-T237 WeakPolarHBondContact O-CB 3.37Å; N233-T237 PolarHBondContact O-N 2.94Å; N233-T237 PolarHBondContact O-OG1 3.18Å; T234-T237 PolarHBondContact O-N 3.32Å; F235-T237 VanDerWaalsContact C-N 3.32Å; F235-T237 PolarHBondContact O-N 3.13Å; T237-S239 VanDerWaalsContact C-N 3.34Å; T237-S239 PolarHBondContact O-N 3.28Å; T237-K240 PolarHBondContact O-N 3.35Å; T237-Q241 WeakPolarHBondContact O-CB 3.33Å; T237-Q241 PolarHBondContact O-N 3.45Å |
| 238 | V | 81.5 | Confident | 77.3 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 44% | 0.436 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 179.8 | 172 | 0 | 0 | 0 | 0 | 111 | T234 K240 Q241 I242 | T234-V238 WeakPolarHBondContact O-CG2 3.17Å; T234-V238 PolarHBondContact O-N 3.49Å; V238-K240 PolarHBondContact O-N 3.42Å; V238-Q241 PolarHBondContact O-N 3.07Å; V238-I242 HydrophobicContact CG1-CD1 4.02Å; V238-I242 WeakPolarHBondContact O-CG1 3.45Å; V238-I242 PolarHBondContact O-N 3.45Å |
| 239 | S | 72.6 | Confident | 77.6 | Confident | 15 Ų | 15 | 79.8 Ų | 79.8 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 180 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | F235 T237 Q241 E243 | F235-S239 WeakPolarHBondContact O-CB 3.28Å; F235-S239 PolarHBondContact O-N 2.86Å; F235-S239 VanDerWaalsContact O-N 3.11Å; F235-S239 PolarHBondContact O-OG 3.06Å; T237-S239 VanDerWaalsContact C-N 3.34Å; T237-S239 PolarHBondContact O-N 3.28Å; S239-Q241 VanDerWaalsContact C-N 3.33Å; S239-Q241 PolarHBondContact O-N 2.89Å; S239-E243 PolarHBondContact O-N 2.99Å |
| 240 | K | 76.8 | Confident | 77.7 | Confident | 126 Ų | 126 | 77.9 Ų | 77.9 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 175.5 | -77.6 | -179.8 | 178.2 | 178.8 | 0 | 112.6 | V236 T237 V238 S244 | V236-K240 HydrophobicContact CG1-CD 4.08Å; V236-K240 WeakPolarHBondContact O-CB 3.45Å; V236-K240 WeakPolarHBondContact O-CG 3.4Å; V236-K240 PolarHBondContact O-N 2.91Å; T237-K240 PolarHBondContact O-N 3.35Å; V238-K240 PolarHBondContact O-N 3.42Å; K240-S244 WeakPolarHBondContact O-CB 3.24Å; K240-S244 PolarHBondContact O-N 3.41Å |
| 241 | Q | 83 | Confident | 77.8 | Confident | 117 Ų | 117 | 77.3 Ų | 77.3 | 55% | 0.547 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 179.7 | -174.4 | 172.8 | -7.1 | 0 | 0 | 111.5 | T237 V238 S239 E243 S244 D245 | T237-Q241 WeakPolarHBondContact O-CB 3.33Å; T237-Q241 PolarHBondContact O-N 3.45Å; V238-Q241 PolarHBondContact O-N 3.07Å; S239-Q241 VanDerWaalsContact C-N 3.33Å; S239-Q241 PolarHBondContact O-N 2.89Å; Q241-E243 PolarHBondContact O-N 3.45Å; Q241-S244 PolarHBondContact O-N 2.94Å; Q241-D245 PolarHBondContact O-N 3.35Å |
| 242 | I | 76.7 | Confident | 78 | Confident | 70 Ų | 70 | 78 Ų | 78 | 36% | 0.359 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 179.6 | -63.5 | 166.7 | 0 | 0 | 0 | 111.3 | M171 V238 S244 D245 F246 | M171-I242 HydrophobicContact CE-CG2 3.66Å; M171-I242 HydrophobicContact CG-CG2 3.73Å; M171-I242 HydrophobicContact SD-CD1 4.49Å; M171-I242 HydrophobicContact SD-CG2 3.68Å; V238-I242 HydrophobicContact CG1-CD1 4.02Å; V238-I242 WeakPolarHBondContact O-CG1 3.45Å; V238-I242 PolarHBondContact O-N 3.45Å; I242-S244 VanDerWaalsContact C-N 3.35Å; I242-S244 PolarHBondContact O-N 3.44Å; I242-D245 PolarHBondContact O-N 3.22Å; I242-F246 WeakPolarHBondContact O-CB 3.48Å; I242-F246 PolarHBondContact O-N 3.09Å; I242-F246 VanDerWaalsContact O-N 3.12Å |
| 243 | E | 74.7 | Confident | 78 | Confident | 92 Ų | 92 | 75.3 Ų | 75.3 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 176.2 | -173 | -176.3 | 163.6 | 0 | 0 | 111.9 | K175 S239 Q241 F246 S247 | K175-E243 IonicContact NZ-OE2 2.72Å; K175-E243 PolarHBondContact NZ-OE2 3.45Å; S239-E243 PolarHBondContact O-N 2.99Å; Q241-E243 PolarHBondContact O-N 3.45Å; E243-F246 PolarHBondContact O-N 3.42Å; E243-S247 WeakPolarHBondContact O-CB 3.32Å; E243-S247 PolarHBondContact O-N 3.44Å |
| 244 | S | 80.9 | Confident | 77.7 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 178.5 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | K240 Q241 I242 F246 S247 R248 | K240-S244 WeakPolarHBondContact O-CB 3.24Å; K240-S244 PolarHBondContact O-N 3.41Å; Q241-S244 PolarHBondContact O-N 2.94Å; I242-S244 VanDerWaalsContact C-N 3.35Å; I242-S244 PolarHBondContact O-N 3.44Å; S244-F246 VanDerWaalsContact C-N 3.29Å; S244-F246 PolarHBondContact O-N 2.94Å; S244-S247 PolarHBondContact O-N 3.05Å; S244-R248 VanDerWaalsContact O-CB 3.31Å; S244-R248 WeakPolarHBondContact O-CB 3.46Å; S244-R248 PolarHBondContact O-N 3Å |
| 245 | D | 81.7 | Confident | 77.3 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | -179.7 | -73.6 | -23.9 | 0 | 0 | 0 | 111.4 | Q241 I242 R248 A249 | Q241-D245 PolarHBondContact O-N 3.35Å; I242-D245 PolarHBondContact O-N 3.22Å; D245-R248 IonicContact OD1-CZ 2.73Å; D245-R248 IonicContact OD1-NH1 3.64Å; D245-R248 PolarHBondContact OD1-NH1 3.48Å; D245-R248 IonicContact OD1-NH2 3.91Å; D245-A249 PolarHBondContact O-N 3.17Å |
| 246 | F | 75.6 | Confident | 77.2 | Confident | 62 Ų | 62 | 82.4 Ų | 82.4 | 27% | 0.272 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 176.8 | -158.7 | -105 | 0 | 0 | 0 | 113.7 | T164 M167 I242 E243 S244 R248 A249 N250 | T164-F246 VanDerWaalsContact CA-CZ 3.46Å; T164-F246 HydrophobicContact CG2-CD1 4.13Å; T164-F246 HydrophobicContact CG2-CD2 4.07Å; T164-F246 HydrophobicContact CG2-CE1 3.42Å; T164-F246 VanDerWaalsContact CG2-CE1 3.42Å; T164-F246 HydrophobicContact CG2-CE2 3.35Å; T164-F246 HydrophobicContact CG2-CG 4.43Å; T164-F246 HydrophobicContact CG2-CZ 3.01Å; T164-F246 WeakPolarHBondContact O-CE1 3.39Å; T164-F246 WeakPolarHBondContact O-CZ 3.44Å; M167-F246 HydrophobicContact CB-CE2 4.45Å; M167-F246 HydrophobicContact CB-CZ 3.89Å; I242-F246 WeakPolarHBondContact O-CB 3.48Å; I242-F246 PolarHBondContact O-N 3.09Å; I242-F246 VanDerWaalsContact O-N 3.12Å; E243-F246 PolarHBondContact O-N 3.42Å; S244-F246 VanDerWaalsContact C-N 3.29Å; S244-F246 PolarHBondContact O-N 2.94Å; F246-R248 VanDerWaalsContact C-N 3.28Å; F246-R248 PolarHBondContact O-N 3.32Å; F246-A249 PolarHBondContact O-N 2.99Å; F246-N250 PolarHBondContact O-N 2.9Å |
| 247 | S | 78.9 | Confident | 77 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | E243 S244 N250 K251 | E243-S247 WeakPolarHBondContact O-CB 3.32Å; E243-S247 PolarHBondContact O-N 3.44Å; S244-S247 PolarHBondContact O-N 3.05Å; S247-N250 PolarHBondContact O-N 3.32Å; S247-K251 WeakPolarHBondContact O-CG 3.34Å; S247-K251 PolarHBondContact O-N 2.86Å |
| 248 | R | 80.9 | Confident | 76.2 | Confident | 135 Ų | 135 | 84.7 Ų | 84.7 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.4 | -168 | -174.2 | -59.6 | 130.4 | 8.2 | 111.4 | S244 D245 F246 N250 K251 L252 | S244-R248 VanDerWaalsContact O-CB 3.31Å; S244-R248 WeakPolarHBondContact O-CB 3.46Å; S244-R248 PolarHBondContact O-N 3Å; D245-R248 IonicContact OD1-CZ 2.73Å; D245-R248 IonicContact OD1-NH1 3.64Å; D245-R248 PolarHBondContact OD1-NH1 3.48Å; D245-R248 IonicContact OD1-NH2 3.91Å; F246-R248 VanDerWaalsContact C-N 3.28Å; F246-R248 PolarHBondContact O-N 3.32Å; R248-N250 VanDerWaalsContact C-N 3.34Å; R248-N250 PolarHBondContact O-N 3.45Å; R248-K251 PolarHBondContact O-N 2.88Å; R248-L252 HydrophobicContact CG-CD1 4.27Å; R248-L252 VanDerWaalsContact O-CG 3.27Å; R248-L252 WeakPolarHBondContact O-CG 3.48Å; R248-L252 PolarHBondContact O-N 2.84Å |
| 249 | A | 75.8 | Confident | 75.6 | Confident | 44 Ų | 44 | 85.7 Ų | 85.7 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D245 F246 L253 | D245-A249 PolarHBondContact O-N 3.17Å; F246-A249 PolarHBondContact O-N 2.99Å; A249-L253 WeakPolarHBondContact O-CG 3.46Å; A249-L253 PolarHBondContact O-N 2.68Å |
| 250 | N | 75.6 | Confident | 75.5 | Confident | 24 Ų | 24 | 87.4 Ų | 87.4 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 176.7 | -85.8 | -19.9 | 0 | 0 | 0 | 113 | T164 F246 S247 R248 L252 L253 E254 | T164-N250 WeakPolarHBondContact CB-OD1 3.37Å; T164-N250 WeakPolarHBondContact CG2-OD1 3.46Å; F246-N250 PolarHBondContact O-N 2.9Å; S247-N250 PolarHBondContact O-N 3.32Å; R248-N250 VanDerWaalsContact C-N 3.34Å; R248-N250 PolarHBondContact O-N 3.45Å; N250-L252 VanDerWaalsContact C-N 3.33Å; N250-L252 PolarHBondContact O-N 3.45Å; N250-L253 PolarHBondContact O-N 2.91Å; N250-L253 VanDerWaalsContact O-N 3.15Å; N250-E254 PolarHBondContact O-N 3.37Å |
| 251 | K | 80.3 | Confident | 75.2 | Confident | 130 Ų | 130 | 85.1 Ų | 85.1 | 57% | 0.565 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 178.2 | -75.8 | -176.5 | 178.8 | -177.2 | 0 | 112.1 | S247 R248 L253 E254 D255 | S247-K251 WeakPolarHBondContact O-CG 3.34Å; S247-K251 PolarHBondContact O-N 2.86Å; R248-K251 PolarHBondContact O-N 2.88Å; K251-L253 VanDerWaalsContact C-N 3.33Å; K251-L253 PolarHBondContact O-N 3.48Å; K251-E254 PolarHBondContact O-N 3.25Å; K251-D255 PolarHBondContact O-N 2.88Å |
| 252 | L | 78.6 | Confident | 74.8 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 44% | 0.44 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 175.2 | -68.8 | 171.2 | 0 | 0 | 0 | 110.7 | R248 N250 E254 D255 Y256 | R248-L252 HydrophobicContact CG-CD1 4.27Å; R248-L252 VanDerWaalsContact O-CG 3.27Å; R248-L252 WeakPolarHBondContact O-CG 3.48Å; R248-L252 PolarHBondContact O-N 2.84Å; N250-L252 VanDerWaalsContact C-N 3.33Å; N250-L252 PolarHBondContact O-N 3.45Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-E254 PolarHBondContact O-N 3.5Å; L252-D255 PolarHBondContact O-N 3.08Å; L252-Y256 HydrophobicContact CB-CD2 4.32Å; L252-Y256 HydrophobicContact CB-CE2 4.28Å; L252-Y256 HydrophobicContact CD2-CE2 4.04Å; L252-Y256 WeakPolarHBondContact O-CB 3.32Å; L252-Y256 WeakPolarHBondContact O-CD2 3.37Å; L252-Y256 PolarHBondContact O-N 3.33Å |
| 253 | L | 72.7 | Confident | 74.9 | Confident | 52 Ų | 52 | 81.7 Ų | 81.7 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 178.6 | -74.4 | 168.3 | 0 | 0 | 0 | 113.1 | V156 V161 A249 N250 K251 K257 | V156-L253 HydrophobicContact CG1-CD2 4.27Å; V161-L253 HydrophobicContact CG2-CB 4.06Å; V161-L253 HydrophobicContact CG2-CD1 4.07Å; A249-L253 WeakPolarHBondContact O-CG 3.46Å; A249-L253 PolarHBondContact O-N 2.68Å; N250-L253 PolarHBondContact O-N 2.91Å; N250-L253 VanDerWaalsContact O-N 3.15Å; K251-L253 VanDerWaalsContact C-N 3.33Å; K251-L253 PolarHBondContact O-N 3.48Å; L253-K257 WeakPolarHBondContact O-CB 3.27Å; L253-K257 PolarHBondContact O-N 2.91Å; L253-K257 VanDerWaalsContact O-N 3.13Å |
| 254 | E | 72.9 | Confident | 75.1 | Confident | 127 Ų | 127 | 80.2 Ų | 80.2 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.1 | -45.2 | 176.4 | -75.1 | -172.1 | 156.3 | 0 | 0 | 112.6 | N250 K251 L252 Y256 K257 | N250-E254 PolarHBondContact O-N 3.37Å; K251-E254 PolarHBondContact O-N 3.25Å; L252-E254 VanDerWaalsContact C-N 3.34Å; L252-E254 PolarHBondContact O-N 3.5Å; E254-Y256 VanDerWaalsContact C-N 3.33Å; E254-Y256 PolarHBondContact O-N 3.32Å; E254-K257 WeakPolarHBondContact O-CB 3.37Å; E254-K257 PolarHBondContact O-N 3.16Å |
| 255 | D | 72.6 | Confident | 75.1 | Confident | 124 Ų | 124 | 79.6 Ų | 79.6 | 66% | 0.663 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 179.7 | -71.9 | -24.2 | 0 | 0 | 0 | 111.7 | K251 L252 | K251-D255 PolarHBondContact O-N 2.88Å; L252-D255 PolarHBondContact O-N 3.08Å |
| 256 | Y | 72.1 | Confident | 75.2 | Confident | 148 Ų | 148 | 77.2 Ų | 77.2 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -78.9 | -17.8 | 178.1 | -72 | -62.6 | 0 | 0 | 0 | 114 | L252 E254 L258 S260 | L252-Y256 HydrophobicContact CB-CD2 4.32Å; L252-Y256 HydrophobicContact CB-CE2 4.28Å; L252-Y256 HydrophobicContact CD2-CE2 4.04Å; L252-Y256 WeakPolarHBondContact O-CB 3.32Å; L252-Y256 WeakPolarHBondContact O-CD2 3.37Å; L252-Y256 PolarHBondContact O-N 3.33Å; E254-Y256 VanDerWaalsContact C-N 3.33Å; E254-Y256 PolarHBondContact O-N 3.32Å; Y256-L258 PolarHBondContact O-N 3.31Å; Y256-S260 WeakPolarHBondContact O-CB 3.4Å; Y256-S260 PolarHBondContact O-N 2.84Å |
| 257 | K | 70.6 | Confident | 75.7 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 35% | 0.352 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.4 | -48.7 | -175.3 | 174.2 | 163.7 | -161.8 | 168.8 | 0 | 112.5 | L157 S158 L253 E254 | L157-K257 HydrophobicContact CB-CB 4.42Å; L157-K257 HydrophobicContact CB-CD 3.76Å; L157-K257 HydrophobicContact CB-CG 3.92Å; L157-K257 HydrophobicContact CD1-CB 4Å; L157-K257 HydrophobicContact CD1-CG 3.75Å; L157-K257 HydrophobicContact CD2-CB 3.89Å; L157-K257 HydrophobicContact CD2-CG 4.3Å; L157-K257 HydrophobicContact CG-CB 4.31Å; L157-K257 HydrophobicContact CG-CG 4.19Å; L157-K257 PolarHBondContact O-NZ 2.95Å; S158-K257 PolarHBondContact OG-NZ 2.94Å; L253-K257 WeakPolarHBondContact O-CB 3.27Å; L253-K257 PolarHBondContact O-N 2.91Å; L253-K257 VanDerWaalsContact O-N 3.13Å; E254-K257 WeakPolarHBondContact O-CB 3.37Å; E254-K257 PolarHBondContact O-N 3.16Å |
| 258 | L | 65.8 | Low | 76.2 | Confident | 94 Ų | 94 | 77.5 Ų | 77.5 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76 | -46.6 | -173.8 | -150.3 | 83 | 0 | 0 | 0 | 110.7 | Y256 R262 | Y256-L258 PolarHBondContact O-N 3.31Å; L258-R262 VanDerWaalsContact CD2-NH2 3.26Å; L258-R262 WeakPolarHBondContact O-CD 3.31Å; L258-R262 WeakPolarHBondContact O-CG 3.37Å; L258-R262 PolarHBondContact O-N 3.34Å; L258-R262 PolarHBondContact O-NE 3.4Å |
| 259 | L | 69.1 | Low | 76.5 | Confident | 93 Ų | 93 | 75 Ų | 75 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | -174.9 | -170 | 64.8 | 0 | 0 | 0 | 112.6 | R262 I263 | L259-R262 WeakPolarHBondContact O-CB 3.19Å; L259-R262 PolarHBondContact O-N 2.92Å; L259-I263 HydrophobicContact CD1-CD1 4.25Å; L259-I263 HydrophobicContact CG-CD1 3.94Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.33Å; L259-I263 VanDerWaalsContact O-N 3.13Å |
| 260 | S | 70.6 | Confident | 77.2 | Confident | 51 Ų | 51 | 77.9 Ų | 77.9 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | Y256 R262 I263 L264 | Y256-S260 WeakPolarHBondContact O-CB 3.4Å; Y256-S260 PolarHBondContact O-N 2.84Å; S260-R262 VanDerWaalsContact C-N 3.25Å; S260-R262 PolarHBondContact O-N 2.95Å; S260-I263 PolarHBondContact O-N 3.02Å; S260-L264 WeakPolarHBondContact O-CB 3.46Å; S260-L264 WeakPolarHBondContact O-CD1 3.48Å; S260-L264 WeakPolarHBondContact O-CG 3.36Å; S260-L264 PolarHBondContact O-N 3.47Å |
| 261 | N | 70.1 | Confident | 78 | Confident | 78 Ų | 78 | 80 Ų | 80 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.9 | -36.4 | 179 | -169.2 | 37.1 | 0 | 0 | 0 | 112.1 | A265 | N261-A265 PolarHBondContact O-N 3.26Å; N261-A265 VanDerWaalsContact O-N 3.13Å |
| 262 | R | 74.4 | Confident | 78.6 | Confident | 32 Ų | 32 | 74 Ų | 74 | 12% | 0.121 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.7 | -48.9 | 179.2 | -65.6 | 163 | 177.3 | -136.9 | -20.5 | 111.9 | I98 L99 L258 L259 S260 L264 A265 A266 | I98-R262 HydrophobicContact CG2-CB 4.37Å; I98-R262 HydrophobicContact CG2-CG 3.67Å; I98-R262 WeakPolarHBondContact O-CD 3.43Å; I98-R262 WeakPolarHBondContact O-CG 3.33Å; I98-R262 PolarHBondContact O-NE 3.24Å; I98-R262 PolarHBondContact O-NH1 2.88Å; I98-R262 PolarHBondContact O-NH2 2.93Å; I98-R262 VanDerWaalsContact O-NH2 3.14Å; L99-R262 HydrophobicContact CD2-CB 3.89Å; L99-R262 HydrophobicContact CD2-CG 4.49Å; L99-R262 PolarHBondContact O-NH1 3.44Å; L258-R262 VanDerWaalsContact CD2-NH2 3.26Å; L258-R262 WeakPolarHBondContact O-CD 3.31Å; L258-R262 WeakPolarHBondContact O-CG 3.37Å; L258-R262 PolarHBondContact O-N 3.34Å; L258-R262 PolarHBondContact O-NE 3.4Å; L259-R262 WeakPolarHBondContact O-CB 3.19Å; L259-R262 PolarHBondContact O-N 2.92Å; S260-R262 VanDerWaalsContact C-N 3.25Å; S260-R262 PolarHBondContact O-N 2.95Å; R262-L264 VanDerWaalsContact C-N 3.33Å; R262-A265 PolarHBondContact O-N 3.43Å; R262-A266 PolarHBondContact O-N 2.88Å |
| 263 | I | 78.8 | Confident | 79.3 | Confident | 83 Ų | 83 | 73.3 Ų | 73.3 | 43% | 0.426 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 179.3 | -66.4 | 169.7 | 0 | 0 | 0 | 110.5 | L259 S260 A265 A266 I267 | L259-I263 HydrophobicContact CD1-CD1 4.25Å; L259-I263 HydrophobicContact CG-CD1 3.94Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.33Å; L259-I263 VanDerWaalsContact O-N 3.13Å; S260-I263 PolarHBondContact O-N 3.02Å; I263-A265 PolarHBondContact O-N 3.35Å; I263-A266 VanDerWaalsContact O-CB 3.26Å; I263-A266 WeakPolarHBondContact O-CB 3.49Å; I263-A266 PolarHBondContact O-N 2.92Å; I263-I267 HydrophobicContact CG2-CD1 3.67Å; I263-I267 HydrophobicContact CG2-CG1 4.3Å; I263-I267 WeakPolarHBondContact O-CG1 3.38Å; I263-I267 PolarHBondContact O-N 3.48Å |
| 264 | L | 78.9 | Confident | 80.4 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | 179.1 | -71.2 | 169.2 | 0 | 0 | 0 | 112.5 | I153 S260 R262 A266 I267 F268 | I153-L264 HydrophobicContact CD1-CD1 3.39Å; I153-L264 HydrophobicContact CG1-CD1 4.23Å; S260-L264 WeakPolarHBondContact O-CB 3.46Å; S260-L264 WeakPolarHBondContact O-CD1 3.48Å; S260-L264 WeakPolarHBondContact O-CG 3.36Å; S260-L264 PolarHBondContact O-N 3.47Å; R262-L264 VanDerWaalsContact C-N 3.33Å; L264-A266 VanDerWaalsContact C-N 3.35Å; L264-I267 PolarHBondContact O-N 2.99Å; L264-F268 VanDerWaalsContact O-CB 3.28Å; L264-F268 WeakPolarHBondContact O-CB 3.34Å; L264-F268 PolarHBondContact O-N 2.95Å |
| 265 | A | 81.3 | Confident | 81.5 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N261 R262 I263 F268 L269 | N261-A265 PolarHBondContact O-N 3.26Å; N261-A265 VanDerWaalsContact O-N 3.13Å; R262-A265 PolarHBondContact O-N 3.43Å; I263-A265 PolarHBondContact O-N 3.35Å; A265-F268 PolarHBondContact O-N 3.38Å; A265-L269 PolarHBondContact O-N 3.45Å |
| 266 | A | 83.9 | Confident | 82.6 | Confident | 21 Ų | 21 | 65 Ų | 65 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.3 | -55.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W94 R262 I263 L264 F268 L269 I270 | W94-A266 VanDerWaalsContact CH2-CA 3.41Å; W94-A266 HydrophobicContact CH2-CB 3.26Å; W94-A266 HydrophobicContact CZ2-CB 3.44Å; W94-A266 VanDerWaalsContact CZ2-CB 3.44Å; R262-A266 PolarHBondContact O-N 2.88Å; I263-A266 VanDerWaalsContact O-CB 3.26Å; I263-A266 WeakPolarHBondContact O-CB 3.49Å; I263-A266 PolarHBondContact O-N 2.92Å; L264-A266 VanDerWaalsContact C-N 3.35Å; A266-F268 PolarHBondContact O-N 2.88Å; A266-L269 PolarHBondContact O-N 3.27Å; A266-I270 WeakPolarHBondContact O-CG1 3.21Å; A266-I270 PolarHBondContact O-N 2.77Å |
| 267 | I | 86.6 | Confident | 83.7 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | -177.8 | -68.6 | 169.7 | 0 | 0 | 0 | 109.4 | I263 L264 I270 Y271 | I263-I267 HydrophobicContact CG2-CD1 3.67Å; I263-I267 HydrophobicContact CG2-CG1 4.3Å; I263-I267 WeakPolarHBondContact O-CG1 3.38Å; I263-I267 PolarHBondContact O-N 3.48Å; L264-I267 PolarHBondContact O-N 2.99Å; I267-I270 PolarHBondContact O-N 3.12Å; I267-Y271 VanDerWaalsContact O-CB 3.23Å; I267-Y271 WeakPolarHBondContact O-CB 3.26Å; I267-Y271 PolarHBondContact O-N 2.95Å |
| 268 | F | 87.9 | Confident | 84.9 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 11% | 0.114 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.8 | -172.3 | -104.2 | 0 | 0 | 0 | 112.9 | L138 Q142 L146 L264 A265 A266 Y271 L272 | L138-F268 HydrophobicContact CD2-CE1 3.78Å; L138-F268 HydrophobicContact CD2-CZ 4.37Å; Q142-F268 WeakPolarHBondContact O-CE2 3.38Å; Q142-F268 VanDerWaalsContact O-CZ 3.26Å; Q142-F268 WeakPolarHBondContact O-CZ 3.48Å; L146-F268 HydrophobicContact CB-CD1 3.91Å; L146-F268 HydrophobicContact CB-CD2 3.94Å; L146-F268 HydrophobicContact CB-CE1 3.52Å; L146-F268 HydrophobicContact CB-CE2 3.62Å; L146-F268 HydrophobicContact CB-CG 4.09Å; L146-F268 HydrophobicContact CB-CZ 3.41Å; L146-F268 VanDerWaalsContact CB-CZ 3.41Å; L146-F268 HydrophobicContact CD1-CB 4.15Å; L146-F268 HydrophobicContact CD1-CD1 3.75Å; L146-F268 HydrophobicContact CD1-CD2 4.27Å; L146-F268 HydrophobicContact CD1-CE1 4.22Å; L146-F268 HydrophobicContact CD1-CG 3.76Å; L146-F268 HydrophobicContact CD2-CD1 3.56Å; L146-F268 HydrophobicContact CD2-CE1 3.39Å; L146-F268 HydrophobicContact CD2-CG 4.4Å; L146-F268 HydrophobicContact CD2-CZ 4.18Å; L146-F268 HydrophobicContact CG-CD1 3.92Å; L146-F268 HydrophobicContact CG-CE1 3.87Å; L146-F268 HydrophobicContact CG-CG 4.29Å; L146-F268 HydrophobicContact CG-CZ 4.28Å; L264-F268 VanDerWaalsContact O-CB 3.28Å; L264-F268 WeakPolarHBondContact O-CB 3.34Å; L264-F268 PolarHBondContact O-N 2.95Å; A265-F268 PolarHBondContact O-N 3.38Å; A266-F268 PolarHBondContact O-N 2.88Å; F268-Y271 HydrophobicContact CD2-CD1 4.28Å; F268-Y271 HydrophobicContact CE2-CD1 4.19Å; F268-Y271 WeakPolarHBondContact O-CB 3.34Å; F268-Y271 PolarHBondContact O-N 3.48Å; F268-L272 HydrophobicContact CD1-CD1 3.9Å; F268-L272 HydrophobicContact CD1-CG 4.13Å; F268-L272 HydrophobicContact CE1-CD1 3.47Å; F268-L272 VanDerWaalsContact CE1-CD1 3.47Å; F268-L272 HydrophobicContact CE1-CD2 3.91Å; F268-L272 HydrophobicContact CE1-CG 3.67Å; F268-L272 HydrophobicContact CE2-CD2 4.39Å; F268-L272 HydrophobicContact CE2-CG 4.47Å; F268-L272 HydrophobicContact CZ-CD1 4.11Å; F268-L272 HydrophobicContact CZ-CD2 3.63Å; F268-L272 HydrophobicContact CZ-CG 3.82Å; F268-L272 WeakPolarHBondContact O-CG 3.48Å; F268-L272 PolarHBondContact O-N 3.4Å |
| 269 | L | 88.4 | Confident | 86.4 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 42% | 0.424 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.4 | -176.7 | 67.8 | 0 | 0 | 0 | 111.2 | A265 A266 Y271 L272 I273 | A265-L269 PolarHBondContact O-N 3.45Å; A266-L269 PolarHBondContact O-N 3.27Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3Å; L269-L272 PolarHBondContact O-N 3.13Å; L269-I273 HydrophobicContact CG-CD1 4.48Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 2.81Å; L269-I273 VanDerWaalsContact O-N 3.17Å |
| 270 | I | 90.7 | Very high | 87.7 | Confident | 105 Ų | 105 | 53.8 Ų | 53.8 | 54% | 0.538 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.5 | -65.3 | 168.3 | 0 | 0 | 0 | 110 | A266 I267 L272 I273 V274 | A266-I270 WeakPolarHBondContact O-CG1 3.21Å; A266-I270 PolarHBondContact O-N 2.77Å; I267-I270 PolarHBondContact O-N 3.12Å; I270-L272 VanDerWaalsContact C-N 3.34Å; I270-L272 PolarHBondContact O-N 3.46Å; I270-I273 WeakPolarHBondContact O-CB 3.32Å; I270-I273 PolarHBondContact O-N 3.29Å; I270-I273 VanDerWaalsContact O-N 3.17Å; I270-V274 HydrophobicContact CG2-CG2 4.36Å; I270-V274 WeakPolarHBondContact O-CG2 3.44Å; I270-V274 PolarHBondContact O-N 3.02Å |
| 271 | Y | 92.6 | Very high | 88.9 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 27% | 0.271 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 178.5 | -179.7 | -112.2 | 0 | 0 | 0 | 112.7 | Q142 I267 F268 L269 V274 E275 | Q142-Y271 HydrophobicContact CB-CE1 4.16Å; Q142-Y271 VanDerWaalsContact CD-CE1 3.5Å; Q142-Y271 HydrophobicContact CG-CE1 4.08Å; Q142-Y271 PolarHBondContact NE2-OH 3.19Å; Q142-Y271 VanDerWaalsContact OE1-CE1 3.23Å; Q142-Y271 PolarHBondContact OE1-OH 3.07Å; I267-Y271 VanDerWaalsContact O-CB 3.23Å; I267-Y271 WeakPolarHBondContact O-CB 3.26Å; I267-Y271 PolarHBondContact O-N 2.95Å; F268-Y271 HydrophobicContact CD2-CD1 4.28Å; F268-Y271 HydrophobicContact CE2-CD1 4.19Å; F268-Y271 WeakPolarHBondContact O-CB 3.34Å; F268-Y271 PolarHBondContact O-N 3.48Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3Å; Y271-V274 PolarHBondContact O-N 3.26Å; Y271-E275 HydrophobicContact CD1-CG 4.34Å; Y271-E275 HydrophobicContact CD2-CG 4.23Å; Y271-E275 HydrophobicContact CE1-CG 3.9Å; Y271-E275 HydrophobicContact CE2-CG 3.74Å; Y271-E275 HydrophobicContact CG-CG 4.49Å; Y271-E275 WeakPolarHBondContact O-CB 3.49Å; Y271-E275 WeakPolarHBondContact O-CG 3.4Å; Y271-E275 PolarHBondContact O-N 3.36Å; Y271-E275 PolarHBondContact OH-OE1 2.97Å |
| 272 | L | 92.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 175.1 | -71 | 172.1 | 0 | 0 | 0 | 113 | I134 T137 L138 Q142 F268 L269 I270 S276 | I134-L272 HydrophobicContact CG2-CB 4.41Å; I134-L272 HydrophobicContact CG2-CD1 4.35Å; T137-L272 HydrophobicContact CG2-CD2 3.9Å; L138-L272 HydrophobicContact CD1-CD1 4.48Å; L138-L272 HydrophobicContact CD2-CD1 3.38Å; L138-L272 HydrophobicContact CD2-CD2 4.1Å; L138-L272 HydrophobicContact CD2-CG 4.35Å; L138-L272 HydrophobicContact CG-CD1 3.75Å; L138-L272 HydrophobicContact CG-CD2 4.31Å; Q142-L272 HydrophobicContact CB-CD2 4.1Å; F268-L272 HydrophobicContact CD1-CD1 3.9Å; F268-L272 HydrophobicContact CD1-CG 4.13Å; F268-L272 HydrophobicContact CE1-CD1 3.47Å; F268-L272 VanDerWaalsContact CE1-CD1 3.47Å; F268-L272 HydrophobicContact CE1-CD2 3.91Å; F268-L272 HydrophobicContact CE1-CG 3.67Å; F268-L272 HydrophobicContact CE2-CD2 4.39Å; F268-L272 HydrophobicContact CE2-CG 4.47Å; F268-L272 HydrophobicContact CZ-CD1 4.11Å; F268-L272 HydrophobicContact CZ-CD2 3.63Å; F268-L272 HydrophobicContact CZ-CG 3.82Å; F268-L272 WeakPolarHBondContact O-CG 3.48Å; F268-L272 PolarHBondContact O-N 3.4Å; L269-L272 PolarHBondContact O-N 3.13Å; I270-L272 VanDerWaalsContact C-N 3.34Å; I270-L272 PolarHBondContact O-N 3.46Å; L272-S276 VanDerWaalsContact O-CB 3.27Å; L272-S276 WeakPolarHBondContact O-CB 3.27Å; L272-S276 PolarHBondContact O-N 2.96Å; L272-S276 PolarHBondContact O-OG 2.72Å |
| 273 | I | 93.3 | Very high | 91.1 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 35% | 0.349 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 176.7 | -65.5 | 166.2 | 0 | 0 | 0 | 109.1 | V130 I134 L269 I270 S276 A277 | V130-I273 HydrophobicContact CG1-CG2 4.4Å; I134-I273 HydrophobicContact CD1-CG1 3.79Å; I134-I273 HydrophobicContact CG1-CG1 4.36Å; L269-I273 HydrophobicContact CG-CD1 4.48Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 2.81Å; L269-I273 VanDerWaalsContact O-N 3.17Å; I270-I273 WeakPolarHBondContact O-CB 3.32Å; I270-I273 PolarHBondContact O-N 3.29Å; I270-I273 VanDerWaalsContact O-N 3.17Å; I273-S276 PolarHBondContact O-N 3.21Å; I273-A277 WeakPolarHBondContact O-CB 3.2Å; I273-A277 PolarHBondContact O-N 3.16Å |
| 274 | V | 94.8 | Very high | 91.8 | Very high | 84 Ų | 84 | 52.3 Ų | 52.3 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | I270 Y271 S276 A277 H278 | I270-V274 HydrophobicContact CG2-CG2 4.36Å; I270-V274 WeakPolarHBondContact O-CG2 3.44Å; I270-V274 PolarHBondContact O-N 3.02Å; Y271-V274 PolarHBondContact O-N 3.26Å; V274-S276 VanDerWaalsContact C-N 3.33Å; V274-S276 PolarHBondContact O-N 2.87Å; V274-A277 PolarHBondContact O-N 3.36Å; V274-H278 VanDerWaalsContact O-CB 3.3Å; V274-H278 WeakPolarHBondContact O-CB 3.3Å; V274-H278 PolarHBondContact O-N 3.46Å |
| 275 | E | 95.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -38 | 177.6 | -78.9 | -77.6 | 160 | 0 | 0 | 112.5 | T137 Q142 Y271 Y279 | T137-E275 HydrophobicContact CG2-CB 4.18Å; Q142-E275 HydrophobicContact CG-CB 4.46Å; Q142-E275 HydrophobicContact CG-CG 4.09Å; Q142-E275 PolarHBondContact NE2-OE1 3.23Å; Q142-E275 VanDerWaalsContact NE2-OE1 3.17Å; Q142-E275 PolarHBondContact NE2-OE2 3.49Å; Y271-E275 HydrophobicContact CD1-CG 4.34Å; Y271-E275 HydrophobicContact CD2-CG 4.23Å; Y271-E275 HydrophobicContact CE1-CG 3.9Å; Y271-E275 HydrophobicContact CE2-CG 3.74Å; Y271-E275 HydrophobicContact CG-CG 4.49Å; Y271-E275 WeakPolarHBondContact O-CB 3.49Å; Y271-E275 WeakPolarHBondContact O-CG 3.4Å; Y271-E275 PolarHBondContact O-N 3.36Å; Y271-E275 PolarHBondContact OH-OE1 2.97Å; E275-Y279 WeakPolarHBondContact O-CB 3.33Å; E275-Y279 PolarHBondContact O-N 2.86Å |
| 276 | S | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | T137 L272 I273 V274 Y279 L280 | T137-S276 WeakPolarHBondContact CB-OG 3.45Å; T137-S276 PolarHBondContact OG1-OG 2.92Å; L272-S276 VanDerWaalsContact O-CB 3.27Å; L272-S276 WeakPolarHBondContact O-CB 3.27Å; L272-S276 PolarHBondContact O-N 2.96Å; L272-S276 PolarHBondContact O-OG 2.72Å; I273-S276 PolarHBondContact O-N 3.21Å; V274-S276 VanDerWaalsContact C-N 3.33Å; V274-S276 PolarHBondContact O-N 2.87Å; S276-Y279 PolarHBondContact O-N 3.37Å; S276-L280 PolarHBondContact O-N 2.93Å |
| 277 | A | 96 | Very high | 93.5 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V130 I273 V274 L280 K281 | V130-A277 HydrophobicContact CG1-CB 4.31Å; V130-A277 HydrophobicContact CG2-CB 4.19Å; I273-A277 WeakPolarHBondContact O-CB 3.2Å; I273-A277 PolarHBondContact O-N 3.16Å; V274-A277 PolarHBondContact O-N 3.36Å; A277-L280 PolarHBondContact O-N 3.47Å; A277-K281 WeakPolarHBondContact O-CB 3.4Å; A277-K281 PolarHBondContact O-N 3.42Å |
| 278 | H | 95.9 | Very high | 93.6 | Very high | 115 Ų | 115 | 59.1 Ų | 59.1 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.3 | -177.3 | -88.9 | 0 | 0 | 0 | 111.8 | V274 S282 | V274-H278 VanDerWaalsContact O-CB 3.3Å; V274-H278 WeakPolarHBondContact O-CB 3.3Å; V274-H278 PolarHBondContact O-N 3.46Å; H278-S282 WeakPolarHBondContact O-CB 3.47Å; H278-S282 PolarHBondContact O-N 3.22Å; H278-S282 PolarHBondContact O-OG 3.49Å |
| 279 | Y | 96.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 173 | -178.5 | -79.2 | 0 | 0 | 0 | 111 | M133 E275 S276 K281 S282 Y283 F289 D290 R457 | M133-Y279 HydrophobicContact CE-CD1 3.06Å; M133-Y279 HydrophobicContact CE-CE1 3.5Å; M133-Y279 HydrophobicContact CE-CG 3.79Å; M133-Y279 HydrophobicContact SD-CD1 4.23Å; E275-Y279 WeakPolarHBondContact O-CB 3.33Å; E275-Y279 PolarHBondContact O-N 2.86Å; S276-Y279 PolarHBondContact O-N 3.37Å; Y279-K281 VanDerWaalsContact C-N 3.35Å; Y279-K281 PolarHBondContact O-N 3.43Å; Y279-S282 PolarHBondContact O-N 3.3Å; Y279-Y283 HydrophobicContact CE1-CD2 4.26Å; Y279-Y283 WeakPolarHBondContact O-CB 3.36Å; Y279-Y283 PolarHBondContact O-N 3.22Å; Y279-F289 AromaticContact CD2-CE1 3.96Å; Y279-F289 HydrophobicContact CD2-CE1 3.96Å; Y279-F289 AromaticContact CD2-CZ 3.84Å; Y279-F289 HydrophobicContact CD2-CZ 3.84Å; Y279-F289 HydrophobicContact CE1-CE1 4.46Å; Y279-F289 AromaticContact CE2-CE1 3.75Å; Y279-F289 HydrophobicContact CE2-CE1 3.75Å; Y279-F289 AromaticContact CE2-CZ 3.87Å; Y279-F289 HydrophobicContact CE2-CZ 3.87Å; Y279-F289 HydrophobicContact CG-CE1 4.42Å; Y279-D290 PolarHBondContact OH-OD2 3.37Å; Y279-D290 VanDerWaalsContact OH-OD2 3.07Å; Y279-R457 HydrophobicContact CE1-CB 4.17Å |
| 280 | L | 96.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | -179.4 | -176.7 | 60.9 | 0 | 0 | 0 | 111.6 | P126 C129 V130 M133 S276 A277 S282 Y283 V284 F465 | P126-L280 HydrophobicContact CB-CD2 4.29Å; P126-L280 WeakPolarHBondContact O-CD2 3.38Å; C129-L280 HydrophobicContact CB-CD1 4.44Å; C129-L280 HydrophobicContact CB-CD2 3.83Å; V130-L280 HydrophobicContact CG2-CB 4.4Å; V130-L280 HydrophobicContact CG2-CD2 3.6Å; M133-L280 HydrophobicContact SD-CB 4.4Å; M133-L280 HydrophobicContact SD-CD1 4.46Å; S276-L280 PolarHBondContact O-N 2.93Å; A277-L280 PolarHBondContact O-N 3.47Å; L280-S282 VanDerWaalsContact C-N 3.33Å; L280-S282 PolarHBondContact O-N 2.9Å; L280-Y283 WeakPolarHBondContact O-CB 3.44Å; L280-Y283 PolarHBondContact O-N 3.36Å; L280-Y283 VanDerWaalsContact O-N 3.16Å; L280-V284 HydrophobicContact CD1-CG2 4.13Å; L280-V284 HydrophobicContact CG-CG2 4.41Å; L280-V284 WeakPolarHBondContact O-CG2 3.28Å; L280-V284 PolarHBondContact O-N 3.41Å; L280-F465 HydrophobicContact CD1-CD2 4.04Å; L280-F465 HydrophobicContact CD1-CE2 3.67Å; L280-F465 HydrophobicContact CD2-CE2 4.2Å; L280-F465 HydrophobicContact CG-CE2 4.33Å |
| 281 | K | 96.3 | Very high | 93.5 | Very high | 135 Ų | 135 | 55 Ų | 55 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -55.3 | -49.4 | 174.1 | 179.8 | 179.6 | 178.3 | -178.1 | 0 | 111 | A277 Y279 Y283 V284 I285 | A277-K281 WeakPolarHBondContact O-CB 3.4Å; A277-K281 PolarHBondContact O-N 3.42Å; Y279-K281 VanDerWaalsContact C-N 3.35Å; Y279-K281 PolarHBondContact O-N 3.43Å; K281-Y283 VanDerWaalsContact C-N 3.3Å; K281-Y283 PolarHBondContact O-N 3.43Å; K281-V284 PolarHBondContact O-N 2.84Å; K281-I285 HydrophobicContact CD-CD1 4.32Å; K281-I285 HydrophobicContact CG-CD1 3.56Å; K281-I285 HydrophobicContact CG-CG1 4.44Å; K281-I285 WeakPolarHBondContact O-CB 3.34Å; K281-I285 VanDerWaalsContact O-CG1 3.28Å; K281-I285 WeakPolarHBondContact O-CG1 3.39Å; K281-I285 PolarHBondContact O-N 3.41Å |
| 282 | S | 95.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | H278 Y279 L280 S286 | H278-S282 WeakPolarHBondContact O-CB 3.47Å; H278-S282 PolarHBondContact O-N 3.22Å; H278-S282 PolarHBondContact O-OG 3.49Å; Y279-S282 PolarHBondContact O-N 3.3Å; L280-S282 VanDerWaalsContact C-N 3.33Å; L280-S282 PolarHBondContact O-N 2.9Å; S282-S286 WeakPolarHBondContact O-CB 3.39Å; S282-S286 PolarHBondContact O-N 2.97Å; S282-S286 VanDerWaalsContact O-N 3.07Å |
| 283 | Y | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 177.9 | -175.9 | -81.3 | 0 | 0 | 0 | 112.8 | Y279 L280 K281 R458 A462 Q468 E469 R472 | Y279-Y283 HydrophobicContact CE1-CD2 4.26Å; Y279-Y283 WeakPolarHBondContact O-CB 3.36Å; Y279-Y283 PolarHBondContact O-N 3.22Å; L280-Y283 WeakPolarHBondContact O-CB 3.44Å; L280-Y283 PolarHBondContact O-N 3.36Å; L280-Y283 VanDerWaalsContact O-N 3.16Å; K281-Y283 VanDerWaalsContact C-N 3.3Å; K281-Y283 PolarHBondContact O-N 3.43Å; Y283-R458 HydrophobicContact CE2-CG 4.44Å; Y283-A462 VanDerWaalsContact OH-CA 3.32Å; Y283-A462 WeakPolarHBondContact OH-CA 3.45Å; Y283-A462 WeakPolarHBondContact OH-CB 3.38Å; Y283-A462 PolarHBondContact OH-N 3.49Å; Y283-Q468 HydrophobicContact CE1-CG 4.49Å; Y283-E469 PolarHBondContact OH-OE2 3.46Å; Y283-R472 VanDerWaalsContact CE2-CZ 3.44Å; Y283-R472 PolarHBondContact O-NH1 3.01Å |
| 284 | V | 94.3 | Very high | 92.2 | Very high | 51 Ų | 51 | 53 Ų | 53 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -76.1 | -36.3 | -177.5 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | L280 K281 F465 Q468 | L280-V284 HydrophobicContact CD1-CG2 4.13Å; L280-V284 HydrophobicContact CG-CG2 4.41Å; L280-V284 WeakPolarHBondContact O-CG2 3.28Å; L280-V284 PolarHBondContact O-N 3.41Å; K281-V284 PolarHBondContact O-N 2.84Å; V284-F465 HydrophobicContact CG2-CD1 3.89Å; V284-F465 HydrophobicContact CG2-CD2 4.1Å; V284-F465 HydrophobicContact CG2-CE1 3.93Å; V284-F465 HydrophobicContact CG2-CE2 4.18Å; V284-F465 HydrophobicContact CG2-CG 3.98Å; V284-F465 HydrophobicContact CG2-CZ 4.08Å; V284-Q468 PolarHBondContact O-NE2 3.05Å |
| 285 | I | 94.1 | Very high | 91.7 | Very high | 123 Ų | 123 | 49.8 Ų | 49.8 | 63% | 0.631 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -78.1 | -42.3 | -177.7 | -66.8 | 174.4 | 0 | 0 | 0 | 112 | K281 | K281-I285 HydrophobicContact CD-CD1 4.32Å; K281-I285 HydrophobicContact CG-CD1 3.56Å; K281-I285 HydrophobicContact CG-CG1 4.44Å; K281-I285 WeakPolarHBondContact O-CB 3.34Å; K281-I285 VanDerWaalsContact O-CG1 3.28Å; K281-I285 WeakPolarHBondContact O-CG1 3.39Å; K281-I285 PolarHBondContact O-N 3.41Å |
| 286 | S | 92.8 | Very high | 91.1 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | trans | -110.1 | 122.8 | -169.2 | -179.6 | 0 | 0 | 0 | 0 | 113 | S282 K288 F289 | S282-S286 WeakPolarHBondContact O-CB 3.39Å; S282-S286 PolarHBondContact O-N 2.97Å; S282-S286 VanDerWaalsContact O-N 3.07Å; S286-K288 PolarHBondContact O-N 3.19Å; S286-K288 PolarHBondContact OG-N 3.19Å; S286-F289 PolarHBondContact OG-N 2.91Å | ||
| 287 | V | 91.9 | Very high | 90.5 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -73.3 | -16.3 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | N291 R472 F475 | V287-N291 WeakPolarHBondContact O-CB 3.15Å; V287-N291 PolarHBondContact O-ND2 2.89Å; V287-R472 HydrophobicContact CB-CG 4.21Å; V287-R472 HydrophobicContact CG1-CG 4.28Å; V287-F475 HydrophobicContact CB-CB 4.43Å; V287-F475 HydrophobicContact CB-CG 4.37Å; V287-F475 HydrophobicContact CG2-CB 4.4Å; V287-F475 HydrophobicContact CG2-CD1 4.22Å; V287-F475 HydrophobicContact CG2-CD2 4.05Å; V287-F475 HydrophobicContact CG2-CE2 4.43Å; V287-F475 HydrophobicContact CG2-CG 3.94Å |
| 288 | K | 89.7 | Confident | 90 | Very high | 156 Ų | 156 | 60.9 Ų | 60.9 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -88.4 | -26 | 179.4 | -64.3 | 179.4 | -177.6 | 176 | 0 | 112.1 | S286 D290 F475 | S286-K288 PolarHBondContact O-N 3.19Å; S286-K288 PolarHBondContact OG-N 3.19Å; K288-D290 PolarHBondContact O-N 3.44Å; K288-F475 HydrophobicContact CD-CZ 4.41Å; K288-F475 HydrophobicContact CG-CE1 3.9Å; K288-F475 HydrophobicContact CG-CZ 3.76Å |
| 289 | F | 91.2 | Very high | 89.4 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 30% | 0.303 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 123.9 | -175.2 | 176.7 | -98.5 | 0 | 0 | 0 | 112.2 | Y279 S286 N291 R472 | Y279-F289 AromaticContact CD2-CE1 3.96Å; Y279-F289 HydrophobicContact CD2-CE1 3.96Å; Y279-F289 AromaticContact CD2-CZ 3.84Å; Y279-F289 HydrophobicContact CD2-CZ 3.84Å; Y279-F289 HydrophobicContact CE1-CE1 4.46Å; Y279-F289 AromaticContact CE2-CE1 3.75Å; Y279-F289 HydrophobicContact CE2-CE1 3.75Å; Y279-F289 AromaticContact CE2-CZ 3.87Å; Y279-F289 HydrophobicContact CE2-CZ 3.87Å; Y279-F289 HydrophobicContact CG-CE1 4.42Å; S286-F289 PolarHBondContact OG-N 2.91Å; F289-N291 PolarHBondContact O-N 2.96Å; F289-N291 VanDerWaalsContact O-N 3.09Å; F289-R472 VanDerWaalsContact O-CZ 3.31Å; F289-R472 PolarHBondContact O-NH1 3.46Å; F289-R472 PolarHBondContact O-NH2 3.29Å |
| 290 | D | 85.7 | Confident | 89 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 34.7 | 179 | -159.2 | 33.4 | 0 | 0 | 0 | 113.9 | Y279 K288 Y293 R472 | Y279-D290 PolarHBondContact OH-OD2 3.37Å; Y279-D290 VanDerWaalsContact OH-OD2 3.07Å; K288-D290 PolarHBondContact O-N 3.44Å; D290-Y293 WeakPolarHBondContact O-CE2 3.25Å; D290-Y293 WeakPolarHBondContact OD1-CE2 3.24Å; D290-Y293 PolarHBondContact OD1-OH 3.44Å; D290-R472 PolarHBondContact O-NH2 2.96Å; D290-R472 VanDerWaalsContact O-NH2 3.09Å |
| 291 | N | 88.4 | Confident | 88.5 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -103 | 64.3 | -177 | -164 | 18.7 | 0 | 0 | 0 | 111.6 | V287 F289 R472 | V287-N291 WeakPolarHBondContact O-CB 3.15Å; V287-N291 PolarHBondContact O-ND2 2.89Å; F289-N291 PolarHBondContact O-N 2.96Å; F289-N291 VanDerWaalsContact O-N 3.09Å; N291-R472 PolarHBondContact ND2-O 3.12Å | ||
| 292 | V | 85.4 | Confident | 88 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | trans | -125.5 | 8.4 | -174.9 | -145.5 | 0 | 0 | 0 | 0 | 112.5 | N316 M317 V318 | V292-N316 WeakPolarHBondContact CG1-O 3.43Å; V292-M317 WeakPolarHBondContact O-CA 3.32Å; V292-V318 PolarHBondContact O-N 3.37Å | ||
| 293 | Y | 83.6 | Confident | 87.5 | Confident | 15 Ų | 15 | 64 Ų | 64 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.2 | -171.2 | -58.6 | -82.9 | 0 | 0 | 0 | 112.6 | D290 V318 R455 R458 | D290-Y293 WeakPolarHBondContact O-CE2 3.25Å; D290-Y293 WeakPolarHBondContact OD1-CE2 3.24Å; D290-Y293 PolarHBondContact OD1-OH 3.44Å; Y293-V318 CarbonylContact C-O 3.48Å; Y293-V318 WeakPolarHBondContact CA-O 3.43Å; Y293-V318 HydrophobicContact CD1-CB 3.96Å; Y293-V318 HydrophobicContact CD1-CG1 4.11Å; Y293-V318 HydrophobicContact CE1-CB 4.25Å; Y293-V318 HydrophobicContact CE1-CG1 4.19Å; Y293-R455 HydrophobicContact CE1-CG 3.89Å; Y293-R458 HydrophobicContact CD2-CG 4Å; Y293-R458 HydrophobicContact CE2-CB 4.42Å; Y293-R458 HydrophobicContact CE2-CG 3.93Å |
| 294 | I | 81.4 | Confident | 87.1 | Confident | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.7 | 167.3 | -61.6 | 154.1 | 0 | 0 | 0 | 107.9 | L299 L314 M317 V318 S320 | I294-L299 HydrophobicContact CG2-CD1 3.26Å; I294-L314 HydrophobicContact CD1-CB 4.17Å; I294-L314 HydrophobicContact CD1-CD2 3.51Å; I294-L314 HydrophobicContact CD1-CG 3.76Å; I294-L314 HydrophobicContact CG1-CD2 4.25Å; I294-L314 HydrophobicContact CG1-CG 4.34Å; I294-M317 HydrophobicContact CD1-CB 3.69Å; I294-M317 HydrophobicContact CG1-CB 3.67Å; I294-M317 HydrophobicContact CG1-SD 4.17Å; I294-V318 PolarHBondContact N-O 2.91Å; I294-S320 PolarHBondContact O-N 3Å; I294-S320 VanDerWaalsContact O-N 3.16Å |
| 295 | T | 84.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | trans | -113.4 | 158.8 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | Q297 L298 L299 | T295-Q297 VanDerWaalsContact C-N 3.27Å; T295-Q297 PolarHBondContact O-N 2.98Å; T295-L298 PolarHBondContact O-N 3Å; T295-L298 WeakPolarHBondContact OG1-CB 3.41Å; T295-L298 PolarHBondContact OG1-N 2.65Å; T295-L298 VanDerWaalsContact OG1-N 3.11Å; T295-L299 WeakPolarHBondContact O-CD1 3.49Å; T295-L299 PolarHBondContact O-N 3.45Å | ||
| 296 | R | 82.3 | Confident | 85.9 | Confident | 205 Ų | 205 | 69.3 Ų | 69.3 | 77% | 0.774 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61 | -38.3 | 173 | -70.4 | -177.1 | 178.7 | 172.9 | -2.5 | 112.1 | L298 L299 Q300 | R296-L298 VanDerWaalsContact C-N 3.34Å; R296-L298 PolarHBondContact O-N 2.91Å; R296-L299 PolarHBondContact O-N 3.34Å; R296-Q300 WeakPolarHBondContact O-CB 3.47Å; R296-Q300 PolarHBondContact O-N 3.39Å |
| 297 | Q | 83.1 | Confident | 85.3 | Confident | 111 Ų | 111 | 68.4 Ų | 68.4 | 52% | 0.519 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 177.3 | -69.7 | 173.7 | -18.7 | 0 | 0 | 112.2 | T295 K301 I473 | T295-Q297 VanDerWaalsContact C-N 3.27Å; T295-Q297 PolarHBondContact O-N 2.98Å; Q297-K301 WeakPolarHBondContact O-CB 3.15Å; Q297-K301 PolarHBondContact O-N 2.93Å; Q297-I473 HydrophobicContact CB-CD1 3.68Å |
| 298 | L | 85.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 174.2 | 178.3 | 72 | 0 | 0 | 0 | 111.6 | T295 R296 K301 A302 I473 L476 L477 | T295-L298 PolarHBondContact O-N 3Å; T295-L298 WeakPolarHBondContact OG1-CB 3.41Å; T295-L298 PolarHBondContact OG1-N 2.65Å; T295-L298 VanDerWaalsContact OG1-N 3.11Å; R296-L298 VanDerWaalsContact C-N 3.34Å; R296-L298 PolarHBondContact O-N 2.91Å; L298-K301 PolarHBondContact O-N 3.33Å; L298-A302 WeakPolarHBondContact O-CB 3.5Å; L298-A302 PolarHBondContact O-N 3.46Å; L298-I473 HydrophobicContact CB-CG2 4.29Å; L298-I473 HydrophobicContact CD1-CG2 3.81Å; L298-L476 HydrophobicContact CD1-CD2 4.43Å; L298-L476 HydrophobicContact CD2-CD2 3.86Å; L298-L477 HydrophobicContact CD1-CB 4.4Å |
| 299 | L | 84.6 | Confident | 83.8 | Confident | 91 Ų | 91 | 69.5 Ų | 69.5 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 178.6 | -93 | 73.6 | 0 | 0 | 0 | 111.9 | I294 T295 R296 A302 S303 | I294-L299 HydrophobicContact CG2-CD1 3.26Å; T295-L299 WeakPolarHBondContact O-CD1 3.49Å; T295-L299 PolarHBondContact O-N 3.45Å; R296-L299 PolarHBondContact O-N 3.34Å; L299-A302 PolarHBondContact O-N 3.49Å; L299-S303 PolarHBondContact O-N 3.39Å |
| 300 | Q | 86.6 | Confident | 82.9 | Confident | 118 Ų | 118 | 71 Ų | 71 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61 | -49.8 | 177.5 | -179 | 179.6 | -11.8 | 0 | 0 | 110.6 | R296 A302 S303 E304 | R296-Q300 WeakPolarHBondContact O-CB 3.47Å; R296-Q300 PolarHBondContact O-N 3.39Å; Q300-A302 PolarHBondContact O-N 2.97Å; Q300-S303 WeakPolarHBondContact O-CB 3.29Å; Q300-S303 PolarHBondContact O-N 2.91Å; Q300-S303 VanDerWaalsContact O-N 3.1Å; Q300-E304 VanDerWaalsContact CG-OE1 3.32Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.34Å; Q300-E304 PolarHBondContact NE2-OE1 3Å; Q300-E304 WeakPolarHBondContact O-CG 3.23Å; Q300-E304 PolarHBondContact O-N 3.36Å |
| 301 | K | 85.9 | Confident | 81.9 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 26% | 0.261 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | -179.5 | -170.1 | 159.5 | -166.2 | 163.5 | 0 | 113.1 | Q297 L298 S303 E304 D305 I473 N474 L477 | Q297-K301 WeakPolarHBondContact O-CB 3.15Å; Q297-K301 PolarHBondContact O-N 2.93Å; L298-K301 PolarHBondContact O-N 3.33Å; K301-S303 VanDerWaalsContact C-N 3.29Å; K301-S303 PolarHBondContact O-N 3.49Å; K301-E304 PolarHBondContact O-N 3.24Å; K301-D305 WeakPolarHBondContact O-CB 3.13Å; K301-D305 PolarHBondContact O-N 3.27Å; K301-I473 HydrophobicContact CD-CG2 4.27Å; K301-N474 WeakPolarHBondContact CD-OD1 3.05Å; K301-N474 WeakPolarHBondContact CE-OD1 3.43Å; K301-N474 PolarHBondContact NZ-OD1 3.46Å; K301-L477 HydrophobicContact CG-CD2 4.36Å |
| 302 | A | 85.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L298 L299 Q300 G306 I307 I309 L477 | L298-A302 WeakPolarHBondContact O-CB 3.5Å; L298-A302 PolarHBondContact O-N 3.46Å; L299-A302 PolarHBondContact O-N 3.49Å; Q300-A302 PolarHBondContact O-N 2.97Å; A302-G306 PolarHBondContact O-N 3.34Å; A302-I307 HydrophobicContact CB-CB 4.49Å; A302-I307 PolarHBondContact O-N 3.13Å; A302-I309 HydrophobicContact CB-CD1 3.63Å; A302-I309 HydrophobicContact CB-CG1 3.97Å; A302-L477 HydrophobicContact CB-CD1 3.82Å |
| 303 | S | 85.3 | Confident | 79.9 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 67% | 0.671 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.4 | -38.1 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | L299 Q300 K301 G306 | L299-S303 PolarHBondContact O-N 3.39Å; Q300-S303 WeakPolarHBondContact O-CB 3.29Å; Q300-S303 PolarHBondContact O-N 2.91Å; Q300-S303 VanDerWaalsContact O-N 3.1Å; K301-S303 VanDerWaalsContact C-N 3.29Å; K301-S303 PolarHBondContact O-N 3.49Å; S303-G306 PolarHBondContact O-N 3.41Å |
| 304 | E | 87.2 | Confident | 79.2 | Confident | 126 Ų | 126 | 76.9 Ų | 76.9 | 59% | 0.589 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.7 | -40.7 | 175.8 | -72.3 | 167.6 | -174.5 | 0 | 0 | 111.3 | Q300 K301 G306 | Q300-E304 VanDerWaalsContact CG-OE1 3.32Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.34Å; Q300-E304 PolarHBondContact NE2-OE1 3Å; Q300-E304 WeakPolarHBondContact O-CG 3.23Å; Q300-E304 PolarHBondContact O-N 3.36Å; K301-E304 PolarHBondContact O-N 3.24Å; E304-G306 PolarHBondContact O-N 3.34Å |
| 305 | D | 84.4 | Confident | 78.5 | Confident | 94 Ų | 94 | 84.2 Ų | 84.2 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.6 | 178.2 | -68.3 | -14.1 | 0 | 0 | 0 | 113 | K301 I307 L477 | K301-D305 WeakPolarHBondContact O-CB 3.13Å; K301-D305 PolarHBondContact O-N 3.27Å; D305-I307 VanDerWaalsContact C-N 3.28Å; D305-I307 HydrophobicContact CB-CD1 3.61Å; D305-I307 HydrophobicContact CB-CG1 4.03Å; D305-I307 PolarHBondContact O-N 2.87Å; D305-L477 VanDerWaalsContact OD2-CD2 3.29Å; D305-L477 WeakPolarHBondContact OD2-CD2 3.5Å |
| 306 | G | 79.2 | Confident | 77.7 | Confident | 64 Ų | 64 | 88.5 Ų | 88.5 | 66% | 0.66 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 16.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A302 S303 E304 | A302-G306 PolarHBondContact O-N 3.34Å; S303-G306 PolarHBondContact O-N 3.41Å; E304-G306 PolarHBondContact O-N 3.34Å |
| 307 | I | 80.6 | Confident | 77.3 | Confident | 23 Ų | 23 | 80.5 Ų | 80.5 | 12% | 0.118 | 43% | 0.428 | C | S | . | . | trans | -88.9 | 112.1 | -174.3 | -58 | 158 | 0 | 0 | 0 | 109.7 | A302 D305 I309 L477 Q481 | A302-I307 HydrophobicContact CB-CB 4.49Å; A302-I307 PolarHBondContact O-N 3.13Å; D305-I307 VanDerWaalsContact C-N 3.28Å; D305-I307 HydrophobicContact CB-CD1 3.61Å; D305-I307 HydrophobicContact CB-CG1 4.03Å; D305-I307 PolarHBondContact O-N 2.87Å; I307-I309 PolarHBondContact O-N 2.85Å; I307-L477 HydrophobicContact CD1-CD1 3.66Å; I307-L477 HydrophobicContact CD1-CD2 3.67Å; I307-L477 HydrophobicContact CD1-CG 3.64Å; I307-Q481 HydrophobicContact CD1-CG 4.04Å; I307-Q481 HydrophobicContact CG1-CG 4.4Å; I307-Q481 HydrophobicContact CG2-CG 4.15Å | ||
| 308 | Q | 75.6 | Confident | 77.1 | Confident | 177 Ų | 177 | 75.7 Ų | 75.7 | 83% | 0.827 | 41% | 0.406 | S | S | * | . | trans | -76.7 | 113.2 | 171.4 | -66 | -167.8 | 24.6 | 0 | 0 | 110.3 | E310 Q484 | Q308-E310 PolarHBondContact O-N 3.19Å; Q308-Q484 PolarHBondContact O-NE2 3.16Å | ||
| 309 | I | 75 | Confident | 76.6 | Confident | 48 Ų | 48 | 79 Ų | 79 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | trans | -87.4 | 110.2 | 179.6 | -43.2 | 176.8 | 0 | 0 | 0 | 110.4 | A302 I307 L314 I480 | A302-I309 HydrophobicContact CB-CD1 3.63Å; A302-I309 HydrophobicContact CB-CG1 3.97Å; I307-I309 PolarHBondContact O-N 2.85Å; I309-L314 HydrophobicContact CB-CD1 4.19Å; I309-L314 HydrophobicContact CG2-CD1 3.19Å; I309-I480 HydrophobicContact CG2-CG2 4.05Å | ||
| 310 | E | 71.1 | Confident | 76 | Confident | 101 Ų | 101 | 75 Ų | 75 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | trans | -65.1 | 142.1 | 175.1 | -80.7 | -152.2 | 138 | 0 | 0 | 113.3 | Q308 T312 N313 L314 | Q308-E310 PolarHBondContact O-N 3.19Å; E310-T312 PolarHBondContact O-N 3.4Å; E310-T312 VanDerWaalsContact O-N 3.14Å; E310-N313 PolarHBondContact O-N 2.66Å; E310-N313 VanDerWaalsContact O-N 3.07Å; E310-L314 WeakPolarHBondContact O-CD1 3.33Å | ||
| 311 | P | 65.6 | Low | 75.4 | Confident | 108 Ų | 108 | 73.5 Ų | 73.5 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -56.6 | -33 | 177.6 | -20.2 | 29.4 | 0 | 0 | 0 | 113.4 | N313 L314 K315 | P311-N313 PolarHBondContact O-N 3.5Å; P311-L314 WeakPolarHBondContact O-CB 3.44Å; P311-L314 PolarHBondContact O-N 2.95Å; P311-L314 VanDerWaalsContact O-N 3.1Å; P311-K315 PolarHBondContact O-N 3.31Å |
| 312 | T | 63.8 | Low | 74.9 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -63.9 | -30.6 | -178.7 | -40.6 | 0 | 0 | 0 | 0 | 112.2 | E310 L314 K315 | E310-T312 PolarHBondContact O-N 3.4Å; E310-T312 VanDerWaalsContact O-N 3.14Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-K315 WeakPolarHBondContact O-CB 3.32Å |
| 313 | N | 67.3 | Low | 74.3 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -78.7 | -19.4 | 177.7 | -67.9 | -37.7 | 0 | 0 | 0 | 112.9 | E310 P311 I480 Q484 R487 | E310-N313 PolarHBondContact O-N 2.66Å; E310-N313 VanDerWaalsContact O-N 3.07Å; P311-N313 PolarHBondContact O-N 3.5Å; N313-I480 HydrophobicContact CB-CG2 4.45Å; N313-Q484 WeakPolarHBondContact ND2-CG 3.4Å; N313-R487 PolarHBondContact OD1-NH1 3.21Å |
| 314 | L | 69.3 | Low | 74.1 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 27% | 0.272 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -84.9 | -9 | 174.7 | -82.9 | 74.5 | 0 | 0 | 0 | 113.5 | I294 I309 E310 P311 T312 N316 M317 | I294-L314 HydrophobicContact CD1-CB 4.17Å; I294-L314 HydrophobicContact CD1-CD2 3.51Å; I294-L314 HydrophobicContact CD1-CG 3.76Å; I294-L314 HydrophobicContact CG1-CD2 4.25Å; I294-L314 HydrophobicContact CG1-CG 4.34Å; I309-L314 HydrophobicContact CB-CD1 4.19Å; I309-L314 HydrophobicContact CG2-CD1 3.19Å; E310-L314 WeakPolarHBondContact O-CD1 3.33Å; P311-L314 WeakPolarHBondContact O-CB 3.44Å; P311-L314 PolarHBondContact O-N 2.95Å; P311-L314 VanDerWaalsContact O-N 3.1Å; T312-L314 VanDerWaalsContact C-N 3.34Å; L314-N316 PolarHBondContact O-N 2.96Å; L314-M317 PolarHBondContact O-N 3.03Å |
| 315 | K | 66.5 | Low | 73.7 | Confident | 179 Ų | 179 | 77.7 Ų | 77.7 | 78% | 0.778 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31.4 | -172.5 | -171.6 | 175.8 | 179.4 | -180 | 0 | 114.1 | P311 T312 | P311-K315 PolarHBondContact O-N 3.31Å; T312-K315 WeakPolarHBondContact O-CB 3.32Å |
| 316 | N | 68.2 | Low | 73.6 | Confident | 107 Ų | 107 | 75.3 Ų | 75.3 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 7.7 | 179.4 | -64.3 | -10.8 | 0 | 0 | 0 | 113.4 | V292 L314 Q328 | V292-N316 WeakPolarHBondContact CG1-O 3.43Å; L314-N316 PolarHBondContact O-N 2.96Å; N316-Q328 PolarHBondContact O-OE1 3.43Å |
| 317 | M | 73.9 | Confident | 73.6 | Confident | 36 Ų | 36 | 81.5 Ų | 81.5 | 18% | 0.177 | 42% | 0.423 | C | S | . | . | trans | -105.6 | 150.1 | -178.5 | -59.6 | -164.8 | -179.6 | 0 | 0 | 111.6 | V292 I294 L314 L476 I480 | V292-M317 WeakPolarHBondContact O-CA 3.32Å; I294-M317 HydrophobicContact CD1-CB 3.69Å; I294-M317 HydrophobicContact CG1-CB 3.67Å; I294-M317 HydrophobicContact CG1-SD 4.17Å; L314-M317 PolarHBondContact O-N 3.03Å; M317-L476 HydrophobicContact CE-CD1 3.8Å; M317-L476 HydrophobicContact CE-CG 4.3Å; M317-I480 HydrophobicContact CE-CD1 3.74Å; M317-I480 HydrophobicContact CE-CG1 3.66Å; M317-I480 HydrophobicContact SD-CD1 4.35Å | ||
| 318 | V | 77.8 | Confident | 73.5 | Confident | 10 Ų | 10 | 84.4 Ų | 84.4 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.4 | -173.3 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | V292 Y293 I294 S320 T326 E329 | V292-V318 PolarHBondContact O-N 3.37Å; Y293-V318 CarbonylContact C-O 3.48Å; Y293-V318 WeakPolarHBondContact CA-O 3.43Å; Y293-V318 HydrophobicContact CD1-CB 3.96Å; Y293-V318 HydrophobicContact CD1-CG1 4.11Å; Y293-V318 HydrophobicContact CE1-CB 4.25Å; Y293-V318 HydrophobicContact CE1-CG1 4.19Å; I294-V318 PolarHBondContact N-O 2.91Å; V318-S320 PolarHBondContact O-N 2.98Å; V318-T326 HydrophobicContact CG1-CG2 4.18Å; V318-T326 HydrophobicContact CG2-CG2 4.28Å; V318-E329 WeakPolarHBondContact CG1-OE1 3.24Å; V318-E329 HydrophobicContact CG2-CG 4.43Å |
| 319 | N | 75.6 | Confident | 73.8 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 119.9 | 174.3 | -175.5 | -29.7 | 0 | 0 | 0 | 111 | T321 S322 | N319-T321 PolarHBondContact O-N 3.48Å; N319-T321 PolarHBondContact OD1-N 3.03Å; N319-T321 PolarHBondContact OD1-OG1 3.26Å; N319-T321 VanDerWaalsContact OD1-OG1 3.05Å; N319-S322 PolarHBondContact O-N 3.42Å; N319-S322 PolarHBondContact OD1-N 2.78Å |
| 320 | S | 72.6 | Confident | 74.2 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 5% | 0.049 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.2 | -175.8 | -179.5 | 0 | 0 | 0 | 0 | 114.7 | I294 V318 K459 | I294-S320 PolarHBondContact O-N 3Å; I294-S320 VanDerWaalsContact O-N 3.16Å; V318-S320 PolarHBondContact O-N 2.98Å; S320-K459 WeakPolarHBondContact O-CE 3.34Å; S320-K459 PolarHBondContact O-NZ 3.44Å; S320-K459 VanDerWaalsContact OG-CE 3.27Å; S320-K459 WeakPolarHBondContact OG-CE 3.45Å |
| 321 | T | 72.2 | Confident | 74.8 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -5.8 | -174.8 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | N319 | N319-T321 PolarHBondContact O-N 3.48Å; N319-T321 PolarHBondContact OD1-N 3.03Å; N319-T321 PolarHBondContact OD1-OG1 3.26Å; N319-T321 VanDerWaalsContact OD1-OG1 3.05Å |
| 322 | S | 75.8 | Confident | 75.7 | Confident | 38 Ų | 38 | 78.9 Ų | 78.9 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | trans | -72.6 | 136.9 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | N319 K324 R455 | N319-S322 PolarHBondContact O-N 3.42Å; N319-S322 PolarHBondContact OD1-N 2.78Å; S322-K324 PolarHBondContact O-N 2.9Å; S322-K324 WeakPolarHBondContact OG-CB 3.41Å; S322-K324 PolarHBondContact OG-N 2.98Å; S322-R455 PolarHBondContact O-NH1 3.04Å | ||
| 323 | C | 73 | Confident | 76.8 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 71% | 0.709 | 38% | 0.381 | S | S | * | . | trans | -79.4 | -0 | 168.2 | -65.6 | 0 | 0 | 0 | 0 | 113 | Y452 | C323-Y452 PolarHBondContact O-OH 3.31Š| ||
| 324 | K | 80.7 | Confident | 77.8 | Confident | 168 Ų | 168 | 78.4 Ų | 78.4 | 73% | 0.73 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -82.7 | 131.2 | 177.2 | -62.2 | -175.9 | 177.2 | -178.9 | 0 | 110.2 | S322 R455 | S322-K324 PolarHBondContact O-N 2.9Å; S322-K324 WeakPolarHBondContact OG-CB 3.41Å; S322-K324 PolarHBondContact OG-N 2.98Å; K324-R455 PolarHBondContact O-NH2 3.44Å |
| 325 | I | 79.5 | Confident | 78.8 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 126 | 170.6 | -62.1 | 175.8 | 0 | 0 | 0 | 107.7 | E329 F330 | I325-E329 HydrophobicContact CG2-CB 4.04Å; I325-F330 HydrophobicContact CG2-CB 4.14Å |
| 326 | T | 81.6 | Confident | 79.9 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 154.9 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | V318 Q328 E329 F330 | V318-T326 HydrophobicContact CG1-CG2 4.18Å; V318-T326 HydrophobicContact CG2-CG2 4.28Å; T326-Q328 PolarHBondContact O-N 3.35Å; T326-E329 WeakPolarHBondContact CB-OE2 3.37Å; T326-E329 PolarHBondContact N-OE2 3.4Å; T326-E329 PolarHBondContact O-N 3.4Å; T326-E329 WeakPolarHBondContact OG1-CB 3.15Å; T326-E329 VanDerWaalsContact OG1-CD 3.27Å; T326-E329 VanDerWaalsContact OG1-CG 3.23Å; T326-E329 WeakPolarHBondContact OG1-CG 3.49Å; T326-E329 PolarHBondContact OG1-N 2.78Å; T326-E329 PolarHBondContact OG1-OE2 2.97Å; T326-F330 PolarHBondContact O-N 3.41Å |
| 327 | K | 80 | Confident | 81.1 | Confident | 195 Ų | 195 | 69 Ų | 69 | 85% | 0.848 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.1 | -38.2 | 176.6 | -67.2 | -174.3 | 178.6 | -176.4 | 0 | 111.9 | F330 T331 | K327-F330 PolarHBondContact O-N 2.86Å; K327-T331 WeakPolarHBondContact O-CG2 3.28Å; K327-T331 PolarHBondContact O-N 2.87Å; K327-T331 VanDerWaalsContact O-N 3.09Å |
| 328 | Q | 77.7 | Confident | 82 | Confident | 84 Ų | 84 | 71.3 Ų | 71.3 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.8 | -32.4 | 177.7 | -169.1 | -175 | 9 | 0 | 0 | 113.5 | N316 T326 T331 | N316-Q328 PolarHBondContact O-OE1 3.43Å; T326-Q328 PolarHBondContact O-N 3.35Å; Q328-T331 PolarHBondContact O-OG1 3.27Å |
| 329 | E | 83.4 | Confident | 82.7 | Confident | 15 Ų | 15 | 74 Ų | 74 | 7% | 0.07 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -74.9 | -35.5 | 173.6 | -74.1 | 166.3 | 130.1 | 0 | 0 | 111.3 | V318 I325 T326 K332 C333 V451 R455 | V318-E329 WeakPolarHBondContact CG1-OE1 3.24Å; V318-E329 HydrophobicContact CG2-CG 4.43Å; I325-E329 HydrophobicContact CG2-CB 4.04Å; T326-E329 WeakPolarHBondContact CB-OE2 3.37Å; T326-E329 PolarHBondContact N-OE2 3.4Å; T326-E329 PolarHBondContact O-N 3.4Å; T326-E329 WeakPolarHBondContact OG1-CB 3.15Å; T326-E329 VanDerWaalsContact OG1-CD 3.27Å; T326-E329 VanDerWaalsContact OG1-CG 3.23Å; T326-E329 WeakPolarHBondContact OG1-CG 3.49Å; T326-E329 PolarHBondContact OG1-N 2.78Å; T326-E329 PolarHBondContact OG1-OE2 2.97Å; E329-K332 WeakPolarHBondContact O-CB 3.45Å; E329-K332 PolarHBondContact O-N 3.32Å; E329-C333 PolarHBondContact O-N 3.46Å; E329-V451 HydrophobicContact CB-CG1 4.22Å; E329-V451 HydrophobicContact CB-CG2 4.36Å; E329-V451 HydrophobicContact CG-CG1 4.23Å; E329-V451 VanDerWaalsContact OE1-CG1 3.3Å; E329-V451 WeakPolarHBondContact OE1-CG1 3.23Å; E329-R455 IonicContact OE1-CZ 3.62Å; E329-R455 VanDerWaalsContact OE1-CZ 3.28Å; E329-R455 IonicContact OE1-NE 3.28Å; E329-R455 PolarHBondContact OE1-NE 2.89Å; E329-R455 IonicContact OE1-NH2 3.82Å; E329-R455 PolarHBondContact OE1-NH2 3.07Å; E329-R455 IonicContact OE2-CZ 3.7Å; E329-R455 IonicContact OE2-NH2 3.7Å; E329-R455 PolarHBondContact OE2-NH2 2.89Å |
| 330 | F | 83.4 | Confident | 83.5 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 177 | -172.6 | -100.2 | 0 | 0 | 0 | 112.3 | I325 T326 K327 K332 C333 L334 | I325-F330 HydrophobicContact CG2-CB 4.14Å; T326-F330 PolarHBondContact O-N 3.41Å; K327-F330 PolarHBondContact O-N 2.86Å; F330-K332 PolarHBondContact O-N 2.8Å; F330-C333 WeakPolarHBondContact O-CA 3.28Å; F330-C333 WeakPolarHBondContact O-CB 3.45Å; F330-C333 PolarHBondContact O-N 3.45Å; F330-L334 HydrophobicContact CE1-CD2 3.88Å; F330-L334 HydrophobicContact CE1-CG 4.43Å; F330-L334 HydrophobicContact CZ-CD2 4.32Å; F330-L334 PolarHBondContact O-N 2.83Å |
| 331 | T | 83.8 | Confident | 84.4 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -32.5 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | K327 Q328 C333 L334 | K327-T331 WeakPolarHBondContact O-CG2 3.28Å; K327-T331 PolarHBondContact O-N 2.87Å; K327-T331 VanDerWaalsContact O-N 3.09Å; Q328-T331 PolarHBondContact O-OG1 3.27Å; T331-C333 PolarHBondContact O-N 2.65Å; T331-L334 PolarHBondContact O-N 3.49Å |
| 332 | K | 83.4 | Confident | 85.5 | Confident | 117 Ų | 117 | 73.4 Ų | 73.4 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.7 | -17.5 | 173.1 | -66.3 | 178.5 | -178.1 | 177 | 0 | 113.4 | E329 F330 P336 | E329-K332 WeakPolarHBondContact O-CB 3.45Å; E329-K332 PolarHBondContact O-N 3.32Å; F330-K332 PolarHBondContact O-N 2.8Å; K332-P336 VanDerWaalsContact O-CD 3.26Å; K332-P336 WeakPolarHBondContact O-CD 3.44Å |
| 333 | C | 86.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.014 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -86.8 | -22.9 | 175.5 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | E329 F330 T331 A335 P336 I337 V447 | E329-C333 PolarHBondContact O-N 3.46Å; F330-C333 WeakPolarHBondContact O-CA 3.28Å; F330-C333 WeakPolarHBondContact O-CB 3.45Å; F330-C333 PolarHBondContact O-N 3.45Å; T331-C333 PolarHBondContact O-N 2.65Å; C333-A335 PolarHBondContact O-N 3.32Å; C333-P336 VanDerWaalsContact O-CD 3.25Å; C333-P336 WeakPolarHBondContact O-CD 3.43Å; C333-I337 VanDerWaalsContact O-CG1 3.31Å; C333-I337 WeakPolarHBondContact O-CG1 3.47Å; C333-I337 PolarHBondContact O-N 2.86Å; C333-V447 HydrophobicContact CB-CG1 3.9Å |
| 334 | L | 88.8 | Confident | 87.2 | Confident | 83 Ų | 83 | 75 Ų | 75 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.5 | -50.4 | -177.5 | -69.3 | 175.8 | 0 | 0 | 0 | 113 | F330 T331 I337 V338 | F330-L334 HydrophobicContact CE1-CD2 3.88Å; F330-L334 HydrophobicContact CE1-CG 4.43Å; F330-L334 HydrophobicContact CZ-CD2 4.32Å; F330-L334 PolarHBondContact O-N 2.83Å; T331-L334 PolarHBondContact O-N 3.49Å; L334-I337 WeakPolarHBondContact O-CB 3.34Å; L334-I337 PolarHBondContact O-N 2.92Å; L334-I337 VanDerWaalsContact O-N 3.12Å; L334-V338 WeakPolarHBondContact O-CG2 3Å; L334-V338 PolarHBondContact O-N 2.88Å |
| 335 | A | 90 | Very high | 87.8 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C333 I337 V338 V339 | C333-A335 PolarHBondContact O-N 3.32Å; A335-I337 PolarHBondContact O-N 2.83Å; A335-V338 PolarHBondContact O-N 3.45Å; A335-V339 WeakPolarHBondContact O-CG2 3.48Å; A335-V339 PolarHBondContact O-N 3.15Å |
| 336 | P | 90.4 | Very high | 88.6 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 14% | 0.143 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.3 | -42 | 169.3 | -30.7 | 34.8 | 0 | 0 | 0 | 115.4 | K332 C333 V339 V340 V447 | K332-P336 VanDerWaalsContact O-CD 3.26Å; K332-P336 WeakPolarHBondContact O-CD 3.44Å; C333-P336 VanDerWaalsContact O-CD 3.25Å; C333-P336 WeakPolarHBondContact O-CD 3.43Å; P336-V339 PolarHBondContact O-N 3.38Å; P336-V340 VanDerWaalsContact O-CG2 3.26Å; P336-V340 WeakPolarHBondContact O-CG2 3.26Å; P336-V340 PolarHBondContact O-N 3.29Å; P336-V447 HydrophobicContact CB-CG1 3.95Å; P336-V447 HydrophobicContact CB-CG2 4.21Å |
| 337 | I | 92.3 | Very high | 89.1 | Confident | 51 Ų | 51 | 70.8 Ų | 70.8 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.1 | -52.1 | 177.9 | -69 | 170 | 0 | 0 | 0 | 109.7 | C333 L334 A335 V339 V340 T341 Y444 V447 | C333-I337 VanDerWaalsContact O-CG1 3.31Å; C333-I337 WeakPolarHBondContact O-CG1 3.47Å; C333-I337 PolarHBondContact O-N 2.86Å; L334-I337 WeakPolarHBondContact O-CB 3.34Å; L334-I337 PolarHBondContact O-N 2.92Å; L334-I337 VanDerWaalsContact O-N 3.12Å; A335-I337 PolarHBondContact O-N 2.83Å; I337-V339 VanDerWaalsContact C-N 3.31Å; I337-V339 PolarHBondContact O-N 3.37Å; I337-V340 PolarHBondContact O-N 2.98Å; I337-V340 VanDerWaalsContact O-N 3.17Å; I337-T341 PolarHBondContact O-N 2.95Å; I337-T341 PolarHBondContact O-OG1 3.07Å; I337-Y444 HydrophobicContact CG2-CE1 4.47Å; I337-V447 HydrophobicContact CD1-CG1 4.44Å; I337-V447 HydrophobicContact CG1-CG1 3.76Å |
| 338 | V | 93.1 | Very high | 89.8 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.3 | -46.7 | -180 | 174 | 0 | 0 | 0 | 0 | 111 | L334 A335 V340 T341 L342 | L334-V338 WeakPolarHBondContact O-CG2 3Å; L334-V338 PolarHBondContact O-N 2.88Å; A335-V338 PolarHBondContact O-N 3.45Å; V338-V340 PolarHBondContact O-N 3.01Å; V338-T341 PolarHBondContact O-N 3.41Å; V338-L342 HydrophobicContact CG1-CD1 4.17Å; V338-L342 WeakPolarHBondContact O-CG 2.81Å; V338-L342 PolarHBondContact O-N 3.27Å |
| 339 | V | 91.8 | Very high | 90.6 | Very high | 68 Ų | 68 | 67 Ų | 67 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | A335 P336 I337 T341 L342 Y343 | A335-V339 WeakPolarHBondContact O-CG2 3.48Å; A335-V339 PolarHBondContact O-N 3.15Å; P336-V339 PolarHBondContact O-N 3.38Å; I337-V339 VanDerWaalsContact C-N 3.31Å; I337-V339 PolarHBondContact O-N 3.37Å; V339-T341 VanDerWaalsContact C-N 3.32Å; V339-T341 PolarHBondContact O-N 3.46Å; V339-L342 PolarHBondContact O-N 3.27Å; V339-Y343 HydrophobicContact CG1-CD2 3.88Å; V339-Y343 HydrophobicContact CG1-CE2 3.65Å; V339-Y343 WeakPolarHBondContact O-CD2 2.9Å; V339-Y343 PolarHBondContact O-N 2.78Å; V339-Y343 VanDerWaalsContact O-N 3.16Å |
| 340 | V | 92.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | R144 I148 P336 I337 V338 L342 Y343 F344 Y444 V447 | R144-V340 VanDerWaalsContact CD-CG2 3.46Å; R144-V340 HydrophobicContact CG-CG2 4.29Å; I148-V340 HydrophobicContact CD1-CG2 4.38Å; P336-V340 VanDerWaalsContact O-CG2 3.26Å; P336-V340 WeakPolarHBondContact O-CG2 3.26Å; P336-V340 PolarHBondContact O-N 3.29Å; I337-V340 PolarHBondContact O-N 2.98Å; I337-V340 VanDerWaalsContact O-N 3.17Å; V338-V340 PolarHBondContact O-N 3.01Å; V340-L342 PolarHBondContact O-N 3.02Å; V340-Y343 PolarHBondContact O-N 2.86Å; V340-F344 WeakPolarHBondContact O-CB 3.46Å; V340-F344 PolarHBondContact O-N 3.4Å; V340-Y444 HydrophobicContact CB-CE1 4.47Å; V340-Y444 HydrophobicContact CG1-CD1 4.2Å; V340-Y444 HydrophobicContact CG1-CD2 4.24Å; V340-Y444 HydrophobicContact CG1-CE1 3.96Å; V340-Y444 HydrophobicContact CG1-CE2 3.99Å; V340-Y444 HydrophobicContact CG1-CG 4.33Å; V340-V447 HydrophobicContact CG2-CG2 4.27Å |
| 341 | T | 93.2 | Very high | 91.7 | Very high | 45 Ų | 45 | 65 Ų | 65 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | I337 V338 V339 Y343 F344 I345 Y444 | I337-T341 PolarHBondContact O-N 2.95Å; I337-T341 PolarHBondContact O-OG1 3.07Å; V338-T341 PolarHBondContact O-N 3.41Å; V339-T341 VanDerWaalsContact C-N 3.32Å; V339-T341 PolarHBondContact O-N 3.46Å; T341-Y343 PolarHBondContact O-N 3.02Å; T341-F344 PolarHBondContact O-N 3.27Å; T341-I345 HydrophobicContact CG2-CD1 4.09Å; T341-I345 HydrophobicContact CG2-CG1 4.5Å; T341-I345 VanDerWaalsContact O-CG1 3.29Å; T341-I345 WeakPolarHBondContact O-CG1 3.47Å; T341-I345 PolarHBondContact O-N 3.13Å; T341-Y444 VanDerWaalsContact CA-OH 3.3Å; T341-Y444 WeakPolarHBondContact CA-OH 3.24Å; T341-Y444 WeakPolarHBondContact CB-OH 3.2Å; T341-Y444 PolarHBondContact OG1-OH 3.01Å |
| 342 | L | 94.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 64.5 Ų | 64.5 | 54% | 0.539 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.4 | -70.9 | 170.9 | 0 | 0 | 0 | 112.2 | V338 V339 V340 F344 I345 V346 | V338-L342 HydrophobicContact CG1-CD1 4.17Å; V338-L342 WeakPolarHBondContact O-CG 2.81Å; V338-L342 PolarHBondContact O-N 3.27Å; V339-L342 PolarHBondContact O-N 3.27Å; V340-L342 PolarHBondContact O-N 3.02Å; L342-F344 VanDerWaalsContact C-N 3.29Å; L342-F344 PolarHBondContact O-N 2.99Å; L342-I345 PolarHBondContact O-N 3.43Å; L342-V346 PolarHBondContact O-N 3.02Å; L342-V346 VanDerWaalsContact O-N 3.17Å |
| 343 | Y | 92.4 | Very high | 92.7 | Very high | 112 Ų | 112 | 62 Ų | 62 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 175 | -80.7 | -72.1 | 0 | 0 | 0 | 112.2 | I148 V339 V340 T341 V346 I347 | I148-Y343 HydrophobicContact CD1-CD2 4.08Å; I148-Y343 HydrophobicContact CD1-CE2 4.4Å; I148-Y343 HydrophobicContact CG2-CD1 3.83Å; I148-Y343 HydrophobicContact CG2-CD2 4.02Å; I148-Y343 HydrophobicContact CG2-CE1 3.98Å; I148-Y343 HydrophobicContact CG2-CE2 4.17Å; I148-Y343 HydrophobicContact CG2-CG 3.86Å; V339-Y343 HydrophobicContact CG1-CD2 3.88Å; V339-Y343 HydrophobicContact CG1-CE2 3.65Å; V339-Y343 WeakPolarHBondContact O-CD2 2.9Å; V339-Y343 PolarHBondContact O-N 2.78Å; V339-Y343 VanDerWaalsContact O-N 3.16Å; V340-Y343 PolarHBondContact O-N 2.86Å; T341-Y343 PolarHBondContact O-N 3.02Å; Y343-V346 PolarHBondContact O-N 3.39Å; Y343-I347 WeakPolarHBondContact O-CG1 3.37Å; Y343-I347 PolarHBondContact O-N 3.06Å |
| 344 | F | 91.2 | Very high | 93 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 178.6 | -177.9 | -126.3 | 0 | 0 | 0 | 112.5 | V340 T341 L342 V346 I347 I348 C440 | V340-F344 WeakPolarHBondContact O-CB 3.46Å; V340-F344 PolarHBondContact O-N 3.4Å; T341-F344 PolarHBondContact O-N 3.27Å; L342-F344 VanDerWaalsContact C-N 3.29Å; L342-F344 PolarHBondContact O-N 2.99Å; F344-V346 VanDerWaalsContact C-N 3.33Å; F344-V346 PolarHBondContact O-N 3.42Å; F344-I347 PolarHBondContact O-N 3.24Å; F344-I348 HydrophobicContact CD1-CD1 3.56Å; F344-I348 HydrophobicContact CD1-CG1 4.47Å; F344-I348 HydrophobicContact CD2-CD1 4.09Å; F344-I348 HydrophobicContact CD2-CG1 4.14Å; F344-I348 HydrophobicContact CE1-CD1 3.18Å; F344-I348 HydrophobicContact CE1-CG1 4.15Å; F344-I348 HydrophobicContact CE2-CD1 3.77Å; F344-I348 HydrophobicContact CE2-CG1 3.79Å; F344-I348 HydrophobicContact CG-CD1 4.03Å; F344-I348 HydrophobicContact CG-CG1 4.49Å; F344-I348 HydrophobicContact CZ-CD1 3.31Å; F344-I348 HydrophobicContact CZ-CG1 3.81Å; F344-I348 WeakPolarHBondContact O-CG1 2.97Å; F344-I348 PolarHBondContact O-N 3.43Å; F344-C440 HydrophobicContact CD2-CB 3.82Å; F344-C440 WeakPolarHBondContact CD2-SG 3.34Å; F344-C440 HydrophobicContact CE2-CB 3.85Å |
| 345 | I | 94.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 62.1 Ų | 62.1 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 174.2 | -70.3 | 164.2 | 0 | 0 | 0 | 110.4 | T341 L342 I347 I348 F349 | T341-I345 HydrophobicContact CG2-CD1 4.09Å; T341-I345 HydrophobicContact CG2-CG1 4.5Å; T341-I345 VanDerWaalsContact O-CG1 3.29Å; T341-I345 WeakPolarHBondContact O-CG1 3.47Å; T341-I345 PolarHBondContact O-N 3.13Å; L342-I345 PolarHBondContact O-N 3.43Å; I345-I347 PolarHBondContact O-N 3.15Å; I345-I348 PolarHBondContact O-N 2.97Å; I345-F349 VanDerWaalsContact O-CB 3.32Å; I345-F349 WeakPolarHBondContact O-CB 3.47Å; I345-F349 PolarHBondContact O-N 3.46Å |
| 346 | V | 94.8 | Very high | 93.3 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | L342 Y343 F344 F349 I350 | L342-V346 PolarHBondContact O-N 3.02Å; L342-V346 VanDerWaalsContact O-N 3.17Å; Y343-V346 PolarHBondContact O-N 3.39Å; F344-V346 VanDerWaalsContact C-N 3.33Å; F344-V346 PolarHBondContact O-N 3.42Å; V346-F349 PolarHBondContact O-N 3.14Å; V346-I350 WeakPolarHBondContact O-CG1 3.2Å; V346-I350 PolarHBondContact O-N 2.72Å |
| 347 | I | 93.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 176.9 | -75.8 | 165.7 | 0 | 0 | 0 | 111.2 | L155 Y343 F344 I345 F349 I350 M351 L436 | L155-I347 HydrophobicContact CD2-CG1 4.1Å; Y343-I347 WeakPolarHBondContact O-CG1 3.37Å; Y343-I347 PolarHBondContact O-N 3.06Å; F344-I347 PolarHBondContact O-N 3.24Å; I345-I347 PolarHBondContact O-N 3.15Å; I347-F349 VanDerWaalsContact C-N 3.31Å; I347-F349 PolarHBondContact O-N 2.98Å; I347-I350 PolarHBondContact O-N 3.09Å; I347-M351 HydrophobicContact CG2-CG 4.49Å; I347-M351 HydrophobicContact CG2-SD 3.91Å; I347-M351 VanDerWaalsContact O-CG 3.32Å; I347-M351 WeakPolarHBondContact O-CG 3.31Å; I347-M351 PolarHBondContact O-N 2.91Å; I347-L436 HydrophobicContact CD1-CD1 4.37Å; I347-L436 HydrophobicContact CG2-CD2 3.27Å; I347-L436 HydrophobicContact CG2-CG 3.77Å |
| 348 | I | 93.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 35% | 0.349 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -45 | 178.1 | -69.7 | 164.5 | 0 | 0 | 0 | 110.3 | F344 I345 I350 M351 V352 | F344-I348 HydrophobicContact CD1-CD1 3.56Å; F344-I348 HydrophobicContact CD1-CG1 4.47Å; F344-I348 HydrophobicContact CD2-CD1 4.09Å; F344-I348 HydrophobicContact CD2-CG1 4.14Å; F344-I348 HydrophobicContact CE1-CD1 3.18Å; F344-I348 HydrophobicContact CE1-CG1 4.15Å; F344-I348 HydrophobicContact CE2-CD1 3.77Å; F344-I348 HydrophobicContact CE2-CG1 3.79Å; F344-I348 HydrophobicContact CG-CD1 4.03Å; F344-I348 HydrophobicContact CG-CG1 4.49Å; F344-I348 HydrophobicContact CZ-CD1 3.31Å; F344-I348 HydrophobicContact CZ-CG1 3.81Å; F344-I348 WeakPolarHBondContact O-CG1 2.97Å; F344-I348 PolarHBondContact O-N 3.43Å; I345-I348 PolarHBondContact O-N 2.97Å; I348-I350 VanDerWaalsContact C-N 3.33Å; I348-I350 PolarHBondContact O-N 3.19Å; I348-M351 WeakPolarHBondContact O-CB 3.08Å; I348-M351 PolarHBondContact O-N 3.26Å; I348-M351 VanDerWaalsContact O-N 3.16Å; I348-V352 HydrophobicContact CG2-CG2 4.12Å; I348-V352 WeakPolarHBondContact O-CG2 2.84Å; I348-V352 PolarHBondContact O-N 3.14Å |
| 349 | F | 95.8 | Very high | 93.2 | Very high | 131 Ų | 131 | 63.5 Ų | 63.5 | 58% | 0.575 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.8 | -47.3 | 179.7 | 174.4 | -98.4 | 0 | 0 | 0 | 111.6 | I345 V346 I347 V352 L353 | I345-F349 VanDerWaalsContact O-CB 3.32Å; I345-F349 WeakPolarHBondContact O-CB 3.47Å; I345-F349 PolarHBondContact O-N 3.46Å; V346-F349 PolarHBondContact O-N 3.14Å; I347-F349 VanDerWaalsContact C-N 3.31Å; I347-F349 PolarHBondContact O-N 2.98Å; F349-V352 PolarHBondContact O-N 3.46Å; F349-L353 WeakPolarHBondContact O-CB 3.38Å; F349-L353 PolarHBondContact O-N 3.14Å |
| 350 | I | 94.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 178 | -62 | -64.9 | 0 | 0 | 0 | 111.7 | L155 I159 I160 I163 V346 I347 I348 L353 D354 | L155-I350 HydrophobicContact CD1-CB 3.96Å; L155-I350 HydrophobicContact CD1-CG2 3.71Å; L155-I350 HydrophobicContact CD2-CB 4.42Å; L155-I350 HydrophobicContact CD2-CG1 4.39Å; L155-I350 HydrophobicContact CD2-CG2 4.46Å; L155-I350 HydrophobicContact CG-CG2 4.16Å; I159-I350 HydrophobicContact CG2-CG2 3.87Å; I160-I350 HydrophobicContact CG1-CG2 4.25Å; I163-I350 HydrophobicContact CD1-CG2 4.12Å; V346-I350 WeakPolarHBondContact O-CG1 3.2Å; V346-I350 PolarHBondContact O-N 2.72Å; I347-I350 PolarHBondContact O-N 3.09Å; I348-I350 VanDerWaalsContact C-N 3.33Å; I348-I350 PolarHBondContact O-N 3.19Å; I350-L353 HydrophobicContact CD1-CD2 4.41Å; I350-L353 WeakPolarHBondContact O-CB 3.33Å; I350-L353 PolarHBondContact O-N 2.9Å; I350-D354 PolarHBondContact O-N 3.16Å |
| 351 | M | 92.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 22% | 0.217 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 172.9 | -74.2 | 175.7 | 57.9 | 0 | 0 | 112.6 | I159 I347 I348 L353 D354 H355 R433 L436 | I159-M351 HydrophobicContact CD1-CG 3.6Å; I159-M351 HydrophobicContact CD1-SD 4.49Å; I347-M351 HydrophobicContact CG2-CG 4.49Å; I347-M351 HydrophobicContact CG2-SD 3.91Å; I347-M351 VanDerWaalsContact O-CG 3.32Å; I347-M351 WeakPolarHBondContact O-CG 3.31Å; I347-M351 PolarHBondContact O-N 2.91Å; I348-M351 WeakPolarHBondContact O-CB 3.08Å; I348-M351 PolarHBondContact O-N 3.26Å; I348-M351 VanDerWaalsContact O-N 3.16Å; M351-L353 VanDerWaalsContact C-N 3.33Å; M351-D354 PolarHBondContact O-N 3.13Å; M351-H355 PolarHBondContact O-N 3.04Å; M351-R433 HydrophobicContact CE-CB 3.83Å; M351-R433 HydrophobicContact CE-CG 3.58Å; M351-L436 HydrophobicContact SD-CD2 3.92Å |
| 352 | V | 94.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 65.1 Ų | 65.1 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | I348 F349 D354 H355 I356 | I348-V352 HydrophobicContact CG2-CG2 4.12Å; I348-V352 WeakPolarHBondContact O-CG2 2.84Å; I348-V352 PolarHBondContact O-N 3.14Å; F349-V352 PolarHBondContact O-N 3.46Å; V352-D354 PolarHBondContact O-N 3.37Å; V352-H355 WeakPolarHBondContact O-CB 3.42Å; V352-H355 PolarHBondContact O-N 3.47Å; V352-I356 HydrophobicContact CG1-CD1 3.74Å; V352-I356 HydrophobicContact CG1-CG1 4.28Å; V352-I356 VanDerWaalsContact O-CG1 3.3Å; V352-I356 WeakPolarHBondContact O-CG1 3.47Å; V352-I356 PolarHBondContact O-N 2.9Å |
| 353 | L | 94.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 65.3 Ų | 65.3 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.7 | -176.4 | 64.3 | 0 | 0 | 0 | 112.2 | I163 F349 I350 M351 H355 I356 V357 | I163-L353 HydrophobicContact CD1-CD2 4.37Å; I163-L353 HydrophobicContact CD1-CG 4.39Å; F349-L353 WeakPolarHBondContact O-CB 3.38Å; F349-L353 PolarHBondContact O-N 3.14Å; I350-L353 HydrophobicContact CD1-CD2 4.41Å; I350-L353 WeakPolarHBondContact O-CB 3.33Å; I350-L353 PolarHBondContact O-N 2.9Å; M351-L353 VanDerWaalsContact C-N 3.33Å; L353-H355 VanDerWaalsContact C-N 3.3Å; L353-H355 PolarHBondContact O-N 3.04Å; L353-I356 PolarHBondContact O-N 3.3Å; L353-V357 HydrophobicContact CD1-CG2 4.36Å; L353-V357 HydrophobicContact CG-CG2 4.46Å; L353-V357 WeakPolarHBondContact O-CG2 3.22Å; L353-V357 PolarHBondContact O-N 2.78Å |
| 354 | D | 94.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 174.8 | -176.2 | 40.9 | 0 | 0 | 0 | 112.2 | I159 N162 I163 I350 M351 V352 V357 Y358 P428 | I159-D354 HydrophobicContact CG2-CB 3.64Å; N162-D354 PolarHBondContact ND2-OD1 2.97Å; N162-D354 PolarHBondContact ND2-OD2 3.46Å; I163-D354 HydrophobicContact CD1-CB 3.93Å; I163-D354 HydrophobicContact CG1-CB 3.63Å; I163-D354 WeakPolarHBondContact CG1-OD1 3.37Å; I350-D354 PolarHBondContact O-N 3.16Å; M351-D354 PolarHBondContact O-N 3.13Å; V352-D354 PolarHBondContact O-N 3.37Å; D354-V357 PolarHBondContact O-N 2.86Å; D354-Y358 WeakPolarHBondContact O-CB 3.34Å; D354-Y358 PolarHBondContact O-N 3Å; D354-P428 WeakPolarHBondContact OD2-CB 3.27Å |
| 355 | H | 92.7 | Very high | 89.8 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 176 | -162.8 | 55.4 | 0 | 0 | 0 | 112.6 | M351 V352 L353 Y358 H359 | M351-H355 PolarHBondContact O-N 3.04Å; V352-H355 WeakPolarHBondContact O-CB 3.42Å; V352-H355 PolarHBondContact O-N 3.47Å; L353-H355 VanDerWaalsContact C-N 3.3Å; L353-H355 PolarHBondContact O-N 3.04Å; H355-Y358 PolarHBondContact O-N 3.35Å; H355-H359 AromaticContact CD2-CD2 3.66Å; H355-H359 AromaticContact CD2-NE2 3.97Å; H355-H359 AromaticContact CE1-CD2 3.37Å; H355-H359 PolarHBondContact CE1-CD2 3.46Å; H355-H359 AromaticContact CE1-NE2 3.03Å; H355-H359 PolarHBondContact CE1-NE2 3.49Å; H355-H359 AromaticContact CG-CD2 3.9Å; H355-H359 AromaticContact ND1-CD2 3.72Å; H355-H359 AromaticContact ND1-NE2 3.8Å; H355-H359 AromaticContact NE2-CD2 3.36Å; H355-H359 PolarHBondContact NE2-CD2 3.45Å; H355-H359 AromaticContact NE2-NE2 3.16Å; H355-H359 PolarHBondContact NE2-NE2 2.92Å; H355-H359 VanDerWaalsContact NE2-NE2 3.16Å; H355-H359 WeakPolarHBondContact O-CB 3.27Å; H355-H359 PolarHBondContact O-CD2 2.81Å; H355-H359 VanDerWaalsContact O-CD2 3.3Å; H355-H359 PolarHBondContact O-N 2.9Å |
| 356 | I | 92.5 | Very high | 88.6 | Confident | 98 Ų | 98 | 57.4 Ų | 57.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 174.8 | -69.4 | 167.5 | 0 | 0 | 0 | 110.2 | V352 L353 H359 L360 | V352-I356 HydrophobicContact CG1-CD1 3.74Å; V352-I356 HydrophobicContact CG1-CG1 4.28Å; V352-I356 VanDerWaalsContact O-CG1 3.3Å; V352-I356 WeakPolarHBondContact O-CG1 3.47Å; V352-I356 PolarHBondContact O-N 2.9Å; L353-I356 PolarHBondContact O-N 3.3Å; I356-H359 PolarHBondContact O-N 3.18Å; I356-L360 VanDerWaalsContact O-CB 3.3Å; I356-L360 WeakPolarHBondContact O-CB 3.33Å; I356-L360 PolarHBondContact O-N 3.42Å |
| 357 | V | 91.1 | Very high | 87.2 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 179.4 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | I163 N166 M167 L353 D354 H359 L360 V361 | I163-V357 HydrophobicContact CG2-CG2 4.34Å; N166-V357 HydrophobicContact CB-CG1 3.69Å; M167-V357 HydrophobicContact CG-CG1 4.18Å; M167-V357 HydrophobicContact SD-CG1 4.11Å; L353-V357 HydrophobicContact CD1-CG2 4.36Å; L353-V357 HydrophobicContact CG-CG2 4.46Å; L353-V357 WeakPolarHBondContact O-CG2 3.22Å; L353-V357 PolarHBondContact O-N 2.78Å; D354-V357 PolarHBondContact O-N 2.86Å; V357-H359 VanDerWaalsContact C-N 3.34Å; V357-H359 PolarHBondContact O-N 3.18Å; V357-L360 WeakPolarHBondContact O-CB 3.34Å; V357-L360 PolarHBondContact O-N 3.06Å; V357-V361 VanDerWaalsContact O-CG2 3.28Å; V357-V361 WeakPolarHBondContact O-CG2 3.16Å; V357-V361 PolarHBondContact O-N 3.1Å |
| 358 | Y | 91.3 | Very high | 85.8 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -45.8 | 174.4 | 171.2 | -103.4 | 0 | 0 | 0 | 112.1 | D354 H355 V361 T362 P425 S426 A427 P428 | D354-Y358 WeakPolarHBondContact O-CB 3.34Å; D354-Y358 PolarHBondContact O-N 3Å; H355-Y358 PolarHBondContact O-N 3.35Å; Y358-V361 PolarHBondContact O-N 3.35Å; Y358-T362 HydrophobicContact CD2-CG2 4.2Å; Y358-T362 HydrophobicContact CE1-CG2 4.16Å; Y358-T362 HydrophobicContact CE2-CG2 3.73Å; Y358-T362 WeakPolarHBondContact O-CG2 3.44Å; Y358-T362 PolarHBondContact O-N 3.47Å; Y358-T362 PolarHBondContact O-OG1 3.29Å; Y358-P425 HydrophobicContact CD2-CB 4.24Å; Y358-P425 HydrophobicContact CE2-CB 4.25Å; Y358-P425 HydrophobicContact CE2-CG 4.25Å; Y358-S426 WeakPolarHBondContact CD2-O 3.48Å; Y358-A427 HydrophobicContact CD2-CB 4.46Å; Y358-A427 HydrophobicContact CE2-CB 3.83Å; Y358-P428 HydrophobicContact CG-CG 4.41Å |
| 359 | H | 89.9 | Confident | 84.4 | Confident | 85 Ų | 85 | 62.6 Ų | 62.6 | 39% | 0.394 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 177.3 | -86.1 | -63.4 | 0 | 0 | 0 | 113.2 | H355 I356 V357 V361 T362 V363 | H355-H359 AromaticContact CD2-CD2 3.66Å; H355-H359 AromaticContact CD2-NE2 3.97Å; H355-H359 AromaticContact CE1-CD2 3.37Å; H355-H359 PolarHBondContact CE1-CD2 3.46Å; H355-H359 AromaticContact CE1-NE2 3.03Å; H355-H359 PolarHBondContact CE1-NE2 3.49Å; H355-H359 AromaticContact CG-CD2 3.9Å; H355-H359 AromaticContact ND1-CD2 3.72Å; H355-H359 AromaticContact ND1-NE2 3.8Å; H355-H359 AromaticContact NE2-CD2 3.36Å; H355-H359 PolarHBondContact NE2-CD2 3.45Å; H355-H359 AromaticContact NE2-NE2 3.16Å; H355-H359 PolarHBondContact NE2-NE2 2.92Å; H355-H359 VanDerWaalsContact NE2-NE2 3.16Å; H355-H359 WeakPolarHBondContact O-CB 3.27Å; H355-H359 PolarHBondContact O-CD2 2.81Å; H355-H359 VanDerWaalsContact O-CD2 3.3Å; H355-H359 PolarHBondContact O-N 2.9Å; I356-H359 PolarHBondContact O-N 3.18Å; V357-H359 VanDerWaalsContact C-N 3.34Å; V357-H359 PolarHBondContact O-N 3.18Å; H359-V361 VanDerWaalsContact C-N 3.34Å; H359-V361 PolarHBondContact O-N 3.33Å; H359-T362 VanDerWaalsContact CA-OG1 3.24Å; H359-T362 WeakPolarHBondContact CA-OG1 3.49Å; H359-T362 PolarHBondContact O-N 2.95Å; H359-T362 PolarHBondContact O-OG1 3.14Å; H359-V363 WeakPolarHBondContact O-CB 3.47Å; H359-V363 WeakPolarHBondContact O-CG2 3.42Å; H359-V363 PolarHBondContact O-N 3.15Å |
| 360 | L | 86.8 | Confident | 82.8 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 53% | 0.534 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.7 | -49.8 | 174.6 | -177.8 | 65.8 | 0 | 0 | 0 | 110.1 | I356 V357 V363 S364 | I356-L360 VanDerWaalsContact O-CB 3.3Å; I356-L360 WeakPolarHBondContact O-CB 3.33Å; I356-L360 PolarHBondContact O-N 3.42Å; V357-L360 WeakPolarHBondContact O-CB 3.34Å; V357-L360 PolarHBondContact O-N 3.06Å; L360-V363 PolarHBondContact O-N 3.29Å; L360-S364 WeakPolarHBondContact O-CB 3.5Å; L360-S364 PolarHBondContact O-N 2.9Å; L360-S364 PolarHBondContact O-OG 3.11Å |
| 361 | V | 85.2 | Confident | 81.4 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 112 | N166 V169 V170 V357 Y358 H359 V363 G365 P425 | N166-V361 HydrophobicContact CB-CG2 4.22Å; N166-V361 WeakPolarHBondContact O-CG2 3.38Å; V169-V361 HydrophobicContact CB-CG1 3.98Å; V169-V361 HydrophobicContact CG1-CG1 3.52Å; V170-V361 HydrophobicContact CG2-CG2 3.48Å; V170-V361 VanDerWaalsContact CG2-CG2 3.48Å; V357-V361 VanDerWaalsContact O-CG2 3.28Å; V357-V361 WeakPolarHBondContact O-CG2 3.16Å; V357-V361 PolarHBondContact O-N 3.1Å; Y358-V361 PolarHBondContact O-N 3.35Å; H359-V361 VanDerWaalsContact C-N 3.34Å; H359-V361 PolarHBondContact O-N 3.33Å; V361-V363 VanDerWaalsContact C-N 3.34Å; V361-V363 PolarHBondContact O-N 2.77Å; V361-G365 PolarHBondContact O-N 2.95Å; V361-P425 HydrophobicContact CB-CB 4.3Å; V361-P425 HydrophobicContact CG1-CB 3.73Å; V361-P425 HydrophobicContact CG1-CG 4.28Å |
| 362 | T | 85.5 | Confident | 79.8 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | -178.9 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | Y358 H359 P366 P425 | Y358-T362 HydrophobicContact CD2-CG2 4.2Å; Y358-T362 HydrophobicContact CE1-CG2 4.16Å; Y358-T362 HydrophobicContact CE2-CG2 3.73Å; Y358-T362 WeakPolarHBondContact O-CG2 3.44Å; Y358-T362 PolarHBondContact O-N 3.47Å; Y358-T362 PolarHBondContact O-OG1 3.29Å; H359-T362 VanDerWaalsContact CA-OG1 3.24Å; H359-T362 WeakPolarHBondContact CA-OG1 3.49Å; H359-T362 PolarHBondContact O-N 2.95Å; H359-T362 PolarHBondContact O-OG1 3.14Å; T362-P366 WeakPolarHBondContact O-CD 3.34Å; T362-P425 HydrophobicContact CG2-CB 4.38Å; T362-P425 HydrophobicContact CG2-CG 3.56Å |
| 363 | V | 82.6 | Confident | 78.5 | Confident | 107 Ų | 107 | 66.1 Ų | 66.1 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -81.5 | -42.6 | 177.2 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | H359 L360 V361 | H359-V363 WeakPolarHBondContact O-CB 3.47Å; H359-V363 WeakPolarHBondContact O-CG2 3.42Å; H359-V363 PolarHBondContact O-N 3.15Å; L360-V363 PolarHBondContact O-N 3.29Å; V361-V363 VanDerWaalsContact C-N 3.34Å; V361-V363 PolarHBondContact O-N 2.77Å |
| 364 | S | 72.8 | Confident | 77 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.5 | -28.9 | -176.4 | 70.1 | 0 | 0 | 0 | 0 | 113 | L360 W367 L368 | L360-S364 WeakPolarHBondContact O-CB 3.5Å; L360-S364 PolarHBondContact O-N 2.9Å; L360-S364 PolarHBondContact O-OG 3.11Å; S364-W367 PolarHBondContact O-N 3.3Å; S364-L368 WeakPolarHBondContact O-CB 3.4Å; S364-L368 WeakPolarHBondContact O-CD1 3.48Å; S364-L368 PolarHBondContact O-N 3.35Å |
| 365 | G | 71.6 | Confident | 75.7 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 8% | 0.082 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.4 | -59.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V361 W367 L368 L369 | V361-G365 PolarHBondContact O-N 2.95Å; G365-W367 PolarHBondContact O-N 3.4Å; G365-L368 PolarHBondContact O-N 2.76Å; G365-L369 VanDerWaalsContact O-CG 3.26Å; G365-L369 WeakPolarHBondContact O-CG 3.16Å; G365-L369 PolarHBondContact O-N 3.29Å |
| 366 | P | 69.9 | Low | 74.5 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 176.9 | -24.1 | 34.3 | 0 | 0 | 0 | 113.1 | T362 L368 L369 D370 | T362-P366 WeakPolarHBondContact O-CD 3.34Å; P366-L368 PolarHBondContact O-N 2.92Å; P366-L369 PolarHBondContact O-N 3.04Å; P366-D370 PolarHBondContact O-N 2.05Å |
| 367 | W | 65.8 | Low | 73.6 | Confident | 195 Ų | 195 | 68.3 Ų | 68.3 | 74% | 0.739 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.2 | -37 | -178.5 | -175.9 | 79.4 | 0 | 0 | 0 | 113.5 | S364 G365 L369 | S364-W367 PolarHBondContact O-N 3.3Å; G365-W367 PolarHBondContact O-N 3.4Å; W367-L369 VanDerWaalsContact C-N 3.34Å |
| 368 | L | 64.3 | Low | 72.8 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.9 | -27.9 | 175.1 | -102 | 93.1 | 0 | 0 | 0 | 112.9 | V173 S364 G365 P366 | V173-L368 HydrophobicContact CG1-CB 3.86Å; V173-L368 HydrophobicContact CG1-CD2 3.71Å; V173-L368 HydrophobicContact CG1-CG 4.37Å; S364-L368 WeakPolarHBondContact O-CB 3.4Å; S364-L368 WeakPolarHBondContact O-CD1 3.48Å; S364-L368 PolarHBondContact O-N 3.35Å; G365-L368 PolarHBondContact O-N 2.76Å; P366-L368 PolarHBondContact O-N 2.92Å |
| 369 | L | 63.8 | Low | 72.2 | Confident | 28 Ų | 28 | 70.4 Ų | 70.4 | 15% | 0.147 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -85.8 | -23.9 | -178 | -64.9 | 172.1 | 0 | 0 | 0 | 112.5 | G365 P366 W367 A418 C421 Y422 | G365-L369 VanDerWaalsContact O-CG 3.26Å; G365-L369 WeakPolarHBondContact O-CG 3.16Å; G365-L369 PolarHBondContact O-N 3.29Å; P366-L369 PolarHBondContact O-N 3.04Å; W367-L369 VanDerWaalsContact C-N 3.34Å; L369-A418 HydrophobicContact CB-CB 4.46Å; L369-A418 HydrophobicContact CD2-CB 4.45Å; L369-A418 WeakPolarHBondContact O-CB 3.36Å; L369-C421 HydrophobicContact CD2-CB 3.71Å; L369-Y422 HydrophobicContact CD1-CD2 4.1Å |
| 370 | D | 63.1 | Low | 71.5 | Confident | 136 Ų | 136 | 68 Ų | 68 | 73% | 0.727 | 40% | 0.404 | S | S | * | . | trans | -94.5 | 24.9 | 179 | -81.7 | -21.7 | 0 | 0 | 0 | 114 | P366 P372 | P366-D370 PolarHBondContact O-N 2.05Å; D370-P372 WeakPolarHBondContact O-CD 3.09Å; D370-P372 VanDerWaalsContact O-N 3.09Å | ||
| 371 | V | 63.7 | Low | 71.1 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 34% | 0.339 | 41% | 0.411 | S | S | . | . | trans | -64.1 | 114.2 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | P416 | V371-P416 HydrophobicContact CB-CG 4.08Å; V371-P416 HydrophobicContact CG1-CG 4.36Å | ||
| 372 | P | 60.7 | Low | 70.6 | Confident | 95 Ų | 95 | 73.4 Ų | 73.4 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | trans | -65.5 | 150.1 | -175.6 | 27 | -33.9 | 0 | 0 | 0 | 110.3 | D370 T374 | D370-P372 WeakPolarHBondContact O-CD 3.09Å; D370-P372 VanDerWaalsContact O-N 3.09Å; P372-T374 PolarHBondContact O-N 3.31Å | ||
| 373 | A | 66 | Low | 70 | Confident | 66 Ų | 66 | 77 Ų | 77 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | trans | -63.5 | 107 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F414 | A373-F414 CarbonylContact C-O 3.4Å; A373-F414 WeakPolarHBondContact CA-O 3.09Å; A373-F414 VanDerWaalsContact CB-O 3.25Å; A373-F414 WeakPolarHBondContact CB-O 3.02Å | ||
| 374 | T | 64.4 | Low | 69.3 | Low | 68 Ų | 68 | 73.1 Ų | 73.1 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.5 | -179.2 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | P372 F414 | P372-T374 PolarHBondContact O-N 3.31Å; T374-F414 PolarHBondContact N-O 3.44Å; T374-F414 VanDerWaalsContact O-CB 3.31Å; T374-F414 WeakPolarHBondContact O-CB 3.41Å; T374-F414 PolarHBondContact O-N 3.46Å |
| 375 | S | 65.4 | Low | 69.2 | Low | 99 Ų | 99 | 76.1 Ų | 76.1 | 69% | 0.692 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.3 | 168.8 | 50 | 0 | 0 | 0 | 0 | 110.2 | W412 | S375-W412 CarbonylContact C-O 3.4Å; S375-W412 VanDerWaalsContact CA-O 3.31Å; S375-W412 WeakPolarHBondContact CA-O 3.4Å |
| 376 | V | 68.8 | Low | 69 | Low | 63 Ų | 63 | 78.3 Ų | 78.3 | 38% | 0.382 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.4 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | W412 | V376-W412 HydrophobicContact CB-CD2 4.11Å; V376-W412 HydrophobicContact CB-CE3 4.41Å; V376-W412 HydrophobicContact CB-CH2 3.8Å; V376-W412 HydrophobicContact CB-CZ2 3.46Å; V376-W412 VanDerWaalsContact CB-CZ2 3.46Å; V376-W412 HydrophobicContact CB-CZ3 4.26Å; V376-W412 HydrophobicContact CG1-CH2 3.32Å; V376-W412 HydrophobicContact CG1-CZ2 3.38Å; V376-W412 HydrophobicContact CG1-CZ3 3.99Å; V376-W412 HydrophobicContact CG2-CZ2 4.22Å; V376-W412 PolarHBondContact N-O 3.44Å; V376-W412 PolarHBondContact O-N 3.48Å |
| 377 | S | 72.3 | Confident | 68.7 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.1 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | Y410 D411 | S377-Y410 WeakPolarHBondContact CA-O 3.33Å; S377-D411 WeakPolarHBondContact CB-OD1 3.38Å |
| 378 | I | 75.4 | Confident | 68.9 | Low | 57 Ų | 57 | 77.1 Ų | 77.1 | 29% | 0.292 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.2 | 169.2 | -73.5 | 166.2 | 0 | 0 | 0 | 108.7 | F192 V380 Q409 Y410 W412 | F192-I378 HydrophobicContact CE1-CD1 3.63Å; F192-I378 HydrophobicContact CE2-CD1 4.41Å; F192-I378 HydrophobicContact CZ-CD1 3.44Å; F192-I378 VanDerWaalsContact CZ-CD1 3.44Å; I378-V380 HydrophobicContact CG2-CG2 3.93Å; I378-Q409 WeakPolarHBondContact O-CA 3.29Å; I378-Y410 PolarHBondContact N-O 3.35Å; I378-Y410 PolarHBondContact O-N 3.12Å; I378-W412 HydrophobicContact CB-CZ3 4.05Å; I378-W412 HydrophobicContact CD1-CH2 3.37Å; I378-W412 HydrophobicContact CD1-CZ3 3.38Å; I378-W412 HydrophobicContact CG1-CH2 3.62Å; I378-W412 HydrophobicContact CG1-CZ3 3.45Å; I378-W412 VanDerWaalsContact CG1-CZ3 3.45Å |
| 379 | A | 77.3 | Confident | 69 | Low | 56 Ų | 56 | 80.3 Ų | 80.3 | 46% | 0.463 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 110.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 380 | V | 77.2 | Confident | 69.2 | Low | 35 Ų | 35 | 81.7 Ų | 81.7 | 21% | 0.212 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.7 | 172.6 | -177 | 0 | 0 | 0 | 0 | 108.4 | A195 I378 H407 K408 Y410 | A195-V380 HydrophobicContact CB-CG2 4.45Å; I378-V380 HydrophobicContact CG2-CG2 3.93Å; V380-H407 WeakPolarHBondContact O-CA 3.4Å; V380-K408 PolarHBondContact N-O 2.8Å; V380-K408 PolarHBondContact O-N 3.29Å; V380-K408 VanDerWaalsContact O-N 3.07Å; V380-Y410 HydrophobicContact CB-CE2 4.23Å; V380-Y410 HydrophobicContact CG2-CD2 4.09Å; V380-Y410 HydrophobicContact CG2-CE2 3.9Å |
| 381 | K | 77.9 | Confident | 69.3 | Low | 159 Ų | 159 | 79.9 Ų | 79.9 | 69% | 0.691 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.5 | 175.2 | -74 | 177.5 | -179.7 | 179.8 | 0 | 108.4 | L406 H407 | K381-L406 CarbonylContact C-O 3.56Å; K381-L406 WeakPolarHBondContact CA-O 3.39Å; K381-H407 WeakPolarHBondContact CE-CE1 3.23Å; K381-H407 WeakPolarHBondContact CG-ND1 3.46Å |
| 382 | Y | 73.3 | Confident | 69.4 | Low | 64 Ų | 64 | 79.1 Ų | 79.1 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.1 | 177.8 | -177.4 | -110.7 | 0 | 0 | 0 | 109.9 | L199 A203 I384 N405 L406 | L199-Y382 HydrophobicContact CD1-CD1 3.59Å; L199-Y382 HydrophobicContact CD1-CD2 3.72Å; L199-Y382 HydrophobicContact CD1-CE1 4.06Å; L199-Y382 HydrophobicContact CD1-CE2 4.22Å; L199-Y382 HydrophobicContact CD1-CG 3.38Å; A203-Y382 HydrophobicContact CB-CE1 4.36Å; Y382-I384 HydrophobicContact CD1-CD1 4.33Å; Y382-I384 HydrophobicContact CD1-CG1 4.28Å; Y382-I384 HydrophobicContact CE1-CD1 3.27Å; Y382-I384 HydrophobicContact CE1-CG1 3.44Å; Y382-I384 VanDerWaalsContact CE1-CG1 3.44Å; Y382-I384 HydrophobicContact CE2-CG1 4.41Å; Y382-I384 VanDerWaalsContact OH-CD1 3.29Å; Y382-I384 WeakPolarHBondContact OH-CD1 3.45Å; Y382-I384 WeakPolarHBondContact OH-CG1 3.49Å; Y382-N405 CarbonylContact O-C 3.56Å; Y382-N405 WeakPolarHBondContact O-CA 3.22Å; Y382-L406 PolarHBondContact N-O 3.22Å; Y382-L406 PolarHBondContact O-N 2.86Å |
| 383 | K | 73.8 | Confident | 69.8 | Low | 119 Ų | 119 | 81.4 Ų | 81.4 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.8 | 179.1 | -68.7 | -170.3 | 172.9 | -158.7 | 0 | 109.5 | A404 | K383-A404 WeakPolarHBondContact CA-O 3.4Å |
| 384 | I | 68.9 | Low | 69.9 | Low | 26 Ų | 26 | 82.8 Ų | 82.8 | 13% | 0.133 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.4 | 171.5 | -61.6 | 165 | 0 | 0 | 0 | 108.3 | V206 Y382 L403 A404 | V206-I384 HydrophobicContact CB-CD1 4.33Å; V206-I384 HydrophobicContact CG1-CD1 4.13Å; V206-I384 HydrophobicContact CG1-CG2 4.38Å; V206-I384 HydrophobicContact CG2-CD1 3.76Å; Y382-I384 HydrophobicContact CD1-CD1 4.33Å; Y382-I384 HydrophobicContact CD1-CG1 4.28Å; Y382-I384 HydrophobicContact CE1-CD1 3.27Å; Y382-I384 HydrophobicContact CE1-CG1 3.44Å; Y382-I384 VanDerWaalsContact CE1-CG1 3.44Å; Y382-I384 HydrophobicContact CE2-CG1 4.41Å; Y382-I384 VanDerWaalsContact OH-CD1 3.29Å; Y382-I384 WeakPolarHBondContact OH-CD1 3.45Å; Y382-I384 WeakPolarHBondContact OH-CG1 3.49Å; I384-L403 HydrophobicContact CG2-CB 4.36Å; I384-L403 PolarHBondContact O-N 3.06Å; I384-A404 HydrophobicContact CB-CB 4.44Å; I384-A404 HydrophobicContact CD1-CB 4.15Å; I384-A404 PolarHBondContact N-O 2.96Å |
| 385 | H | 70.4 | Confident | 70 | Confident | 91 Ų | 91 | 85 Ų | 85 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.1 | 170.6 | -64.7 | -81.8 | 0 | 0 | 0 | 108.9 | D400 E402 | H385-D400 HydrophobicContact CB-CB 4.27Å; H385-E402 WeakPolarHBondContact CE1-CG 3.44Å; H385-E402 IonicContact CE1-OE1 3.19Å; H385-E402 PolarHBondContact CE1-OE1 3.43Å; H385-E402 WeakPolarHBondContact ND1-CG 3.31Å |
| 386 | L | 65.7 | Low | 70.2 | Confident | 53 Ų | 53 | 85 Ų | 85 | 28% | 0.277 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.9 | 171.1 | -169.8 | 67.5 | 0 | 0 | 0 | 108.6 | F388 T401 L403 | L386-F388 HydrophobicContact CD2-CE1 3.93Å; L386-F388 HydrophobicContact CD2-CE2 3.64Å; L386-F388 HydrophobicContact CD2-CZ 3.23Å; L386-F388 HydrophobicContact CG-CE1 4.39Å; L386-F388 HydrophobicContact CG-CE2 4Å; L386-F388 HydrophobicContact CG-CZ 3.92Å; L386-T401 PolarHBondContact N-O 3.42Å; L386-T401 PolarHBondContact O-N 2.84Å; L386-T401 VanDerWaalsContact O-N 3.13Å; L386-L403 HydrophobicContact CB-CD1 3.61Å; L386-L403 HydrophobicContact CB-CD2 4.24Å; L386-L403 HydrophobicContact CB-CG 4.43Å; L386-L403 HydrophobicContact CD2-CD1 3.95Å; L386-L403 HydrophobicContact CD2-CD2 4Å; L386-L403 HydrophobicContact CG-CD1 4.45Å |
| 387 | R | 64.3 | Low | 69.9 | Low | 149 Ų | 149 | 86.6 Ų | 86.6 | 56% | 0.562 | 48% | 0.479 | S | S | * | . | trans | -112.5 | 118.7 | 176.6 | -176.8 | 176 | -70.3 | 174.9 | -1.8 | 108.8 | P389 D400 | R387-P389 VanDerWaalsContact O-CD 3.27Å; R387-P389 WeakPolarHBondContact O-CD 3.44Å; R387-D400 IonicContact CZ-OD1 2.64Å; R387-D400 IonicContact CZ-OD2 3.73Å; R387-D400 IonicContact NE-OD1 2.78Å; R387-D400 PolarHBondContact NE-OD1 3.17Å; R387-D400 IonicContact NE-OD2 3.34Å; R387-D400 IonicContact NH2-OD1 2.76Å; R387-D400 PolarHBondContact NH2-OD1 2.97Å; R387-D400 IonicContact NH2-OD2 2.84Å; R387-D400 PolarHBondContact NH2-OD2 3.24Å | ||
| 388 | F | 69.6 | Low | 69.6 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 40% | 0.395 | 47% | 0.472 | S | S | . | . | trans | -87.9 | 106.7 | 175.2 | -65.8 | -79.5 | 0 | 0 | 0 | 109.8 | L386 G390 L391 C392 | L386-F388 HydrophobicContact CD2-CE1 3.93Å; L386-F388 HydrophobicContact CD2-CE2 3.64Å; L386-F388 HydrophobicContact CD2-CZ 3.23Å; L386-F388 HydrophobicContact CG-CE1 4.39Å; L386-F388 HydrophobicContact CG-CE2 4Å; L386-F388 HydrophobicContact CG-CZ 3.92Å; F388-G390 VanDerWaalsContact C-N 3.25Å; F388-G390 PolarHBondContact O-N 3.45Å; F388-L391 HydrophobicContact CB-CB 4.39Å; F388-L391 HydrophobicContact CB-CD1 4.01Å; F388-L391 HydrophobicContact CG-CD1 4.46Å; F388-L391 PolarHBondContact O-N 3.42Å; F388-L391 VanDerWaalsContact O-N 3.15Å; F388-C392 PolarHBondContact O-N 2.87Å | ||
| 389 | P | 67.5 | Low | 69.1 | Low | 110 Ų | 110 | 93.3 Ų | 93.3 | 71% | 0.714 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -61.1 | -33.8 | -171.2 | -21.8 | 33.6 | 0 | 0 | 0 | 113.1 | R387 L391 C392 | R387-P389 VanDerWaalsContact O-CD 3.27Å; R387-P389 WeakPolarHBondContact O-CD 3.44Å; P389-L391 VanDerWaalsContact C-N 3.34Å; P389-L391 PolarHBondContact O-N 2.99Å; P389-C392 PolarHBondContact O-N 3.24Å |
| 390 | G | 68.4 | Low | 68.6 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -67.6 | -27.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F388 I393 | F388-G390 VanDerWaalsContact C-N 3.25Å; F388-G390 PolarHBondContact O-N 3.45Å; G390-I393 WeakPolarHBondContact O-CD1 3.21Å |
| 391 | L | 65.4 | Low | 68.1 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -84.2 | -16.6 | 175.9 | -78 | 160.3 | 0 | 0 | 0 | 112.6 | F388 P389 I393 I397 | F388-L391 HydrophobicContact CB-CB 4.39Å; F388-L391 HydrophobicContact CB-CD1 4.01Å; F388-L391 HydrophobicContact CG-CD1 4.46Å; F388-L391 PolarHBondContact O-N 3.42Å; F388-L391 VanDerWaalsContact O-N 3.15Å; P389-L391 VanDerWaalsContact C-N 3.34Å; P389-L391 PolarHBondContact O-N 2.99Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 PolarHBondContact O-N 3.41Å; L391-I397 HydrophobicContact CD2-CG2 4Å |
| 392 | C | 65.8 | Low | 67.6 | Low | 41 Ų | 41 | 93 Ų | 93 | 28% | 0.277 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -86.8 | 9.6 | -179.5 | -69 | 0 | 0 | 0 | 0 | 114.5 | F388 P389 I394 C398 | F388-C392 PolarHBondContact O-N 2.87Å; P389-C392 PolarHBondContact O-N 3.24Å; C392-I394 VanDerWaalsContact C-N 3.26Å; C392-C398 HydrophobicContact CB-CB 3.83Å; C392-C398 WeakPolarHBondContact CB-SG 3.26Å; C392-C398 WeakPolarHBondContact SG-CB 3.09Å; C392-C398 CovalentContact SG-SG 2.05Å; C392-C398 PolarHBondContact SG-SG 3.49Å |
| 393 | I | 68.6 | Low | 67.1 | Low | 143 Ų | 143 | 93.2 Ų | 93.2 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -70.5 | -28.7 | 168.6 | -55.8 | 172.6 | 0 | 0 | 0 | 110.2 | G390 L391 | G390-I393 WeakPolarHBondContact O-CD1 3.21Å; L391-I393 VanDerWaalsContact C-N 3.27Å; L391-I393 PolarHBondContact O-N 3.41Å |
| 394 | I | 68.3 | Low | 66.8 | Low | 95 Ų | 95 | 87.9 Ų | 87.9 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -109.9 | 111.3 | 174 | -58.6 | 172.7 | 0 | 0 | 0 | 108.5 | C392 A396 I397 C398 | C392-I394 VanDerWaalsContact C-N 3.26Å; I394-A396 HydrophobicContact CG2-CB 4.26Å; I394-A396 PolarHBondContact O-N 3.15Å; I394-A396 VanDerWaalsContact O-N 3.1Å; I394-I397 HydrophobicContact CB-CD1 4.2Å; I394-I397 HydrophobicContact CB-CG1 4.39Å; I394-I397 HydrophobicContact CD1-CD1 4.09Å; I394-I397 HydrophobicContact CG2-CD1 4Å; I394-I397 HydrophobicContact CG2-CG1 4.03Å; I394-I397 PolarHBondContact O-N 3.19Å; I394-C398 PolarHBondContact O-N 3.49Å |
| 395 | P | 66.4 | Low | 67.1 | Low | 115 Ų | 115 | 90.5 Ų | 90.5 | 75% | 0.747 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.6 | -175.1 | -25.6 | 33.1 | 0 | 0 | 0 | 114.2 | I397 | P395-I397 PolarHBondContact O-N 3.43Š|
| 396 | A | 68.4 | Low | 67.3 | Low | 99 Ų | 99 | 87.1 Ų | 87.1 | 82% | 0.818 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I394 | I394-A396 HydrophobicContact CG2-CB 4.26Å; I394-A396 PolarHBondContact O-N 3.15Å; I394-A396 VanDerWaalsContact O-N 3.1Å |
| 397 | I | 63 | Low | 68 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -10.8 | -174.5 | -50.3 | 174.3 | 0 | 0 | 0 | 110.9 | L391 I394 P395 R399 | L391-I397 HydrophobicContact CD2-CG2 4Å; I394-I397 HydrophobicContact CB-CD1 4.2Å; I394-I397 HydrophobicContact CB-CG1 4.39Å; I394-I397 HydrophobicContact CD1-CD1 4.09Å; I394-I397 HydrophobicContact CG2-CD1 4Å; I394-I397 HydrophobicContact CG2-CG1 4.03Å; I394-I397 PolarHBondContact O-N 3.19Å; P395-I397 PolarHBondContact O-N 3.43Å; I397-R399 PolarHBondContact O-N 3.26Å |
| 398 | C | 65.5 | Low | 68.8 | Low | 47 Ų | 47 | 87 Ų | 87 | 32% | 0.318 | 48% | 0.478 | S | S | . | . | trans | -69.2 | 99.3 | 173.3 | -167.2 | 0 | 0 | 0 | 0 | 109.6 | C392 I394 | C392-C398 HydrophobicContact CB-CB 3.83Å; C392-C398 WeakPolarHBondContact CB-SG 3.26Å; C392-C398 WeakPolarHBondContact SG-CB 3.09Å; C392-C398 CovalentContact SG-SG 2.05Å; C392-C398 PolarHBondContact SG-SG 3.49Å; I394-C398 PolarHBondContact O-N 3.49Å | ||
| 399 | R | 65.1 | Low | 69.3 | Low | 217 Ų | 217 | 88 Ų | 88 | 82% | 0.819 | 48% | 0.484 | S | S | * | . | trans | -119.9 | 123.3 | 172.2 | -134.4 | 179.5 | -163.8 | -175 | 4.2 | 108.5 | I397 T401 | I397-R399 PolarHBondContact O-N 3.26Å; R399-T401 PolarHBondContact O-N 2.92Å | ||
| 400 | D | 68.3 | Low | 69.8 | Low | 64 Ų | 64 | 83.4 Ų | 83.4 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | trans | -71.9 | 115.3 | 170.8 | -70.6 | -28.5 | 0 | 0 | 0 | 108 | H385 R387 | H385-D400 HydrophobicContact CB-CB 4.27Å; R387-D400 IonicContact CZ-OD1 2.64Å; R387-D400 IonicContact CZ-OD2 3.73Å; R387-D400 IonicContact NE-OD1 2.78Å; R387-D400 PolarHBondContact NE-OD1 3.17Å; R387-D400 IonicContact NE-OD2 3.34Å; R387-D400 IonicContact NH2-OD1 2.76Å; R387-D400 PolarHBondContact NH2-OD1 2.97Å; R387-D400 IonicContact NH2-OD2 2.84Å; R387-D400 PolarHBondContact NH2-OD2 3.24Å | ||
| 401 | T | 65.3 | Low | 70.2 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 43% | 0.429 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.4 | 178.4 | -42.5 | 0 | 0 | 0 | 0 | 108.4 | L386 R399 L403 | L386-T401 PolarHBondContact N-O 3.42Å; L386-T401 PolarHBondContact O-N 2.84Å; L386-T401 VanDerWaalsContact O-N 3.13Å; R399-T401 PolarHBondContact O-N 2.92Å; T401-L403 HydrophobicContact CG2-CD1 4.29Å; T401-L403 PolarHBondContact O-N 2.81Å |
| 402 | E | 67.4 | Low | 70.5 | Confident | 110 Ų | 110 | 83.2 Ų | 83.2 | 51% | 0.514 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 112.3 | 173.5 | -75.4 | -171.7 | 172.8 | 0 | 0 | 109.3 | H385 | H385-E402 WeakPolarHBondContact CE1-CG 3.44Å; H385-E402 IonicContact CE1-OE1 3.19Å; H385-E402 PolarHBondContact CE1-OE1 3.43Å; H385-E402 WeakPolarHBondContact ND1-CG 3.31Å |
| 403 | L | 63.1 | Low | 70.6 | Confident | 68 Ų | 68 | 86.4 Ų | 86.4 | 36% | 0.356 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -30.3 | -180 | -109.1 | 68.7 | 0 | 0 | 0 | 112.8 | V206 I384 L386 T401 | V206-L403 HydrophobicContact CG1-CB 4.09Å; V206-L403 HydrophobicContact CG1-CD2 3.6Å; V206-L403 HydrophobicContact CG1-CG 4.39Å; V206-L403 HydrophobicContact CG2-CB 4.21Å; I384-L403 HydrophobicContact CG2-CB 4.36Å; I384-L403 PolarHBondContact O-N 3.06Å; L386-L403 HydrophobicContact CB-CD1 3.61Å; L386-L403 HydrophobicContact CB-CD2 4.24Å; L386-L403 HydrophobicContact CB-CG 4.43Å; L386-L403 HydrophobicContact CD2-CD1 3.95Å; L386-L403 HydrophobicContact CD2-CD2 4Å; L386-L403 HydrophobicContact CG-CD1 4.45Å; T401-L403 HydrophobicContact CG2-CD1 4.29Å; T401-L403 PolarHBondContact O-N 2.81Å |
| 404 | A | 67.3 | Low | 70.5 | Confident | 6 Ų | 6 | 81 Ų | 81 | 5% | 0.05 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 142.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E202 V206 K383 I384 | E202-A404 HydrophobicContact CG-CB 3.99Å; V206-A404 HydrophobicContact CG2-CB 3.32Å; K383-A404 WeakPolarHBondContact CA-O 3.4Å; I384-A404 HydrophobicContact CB-CB 4.44Å; I384-A404 HydrophobicContact CD1-CB 4.15Å; I384-A404 PolarHBondContact N-O 2.96Å |
| 405 | N | 75.5 | Confident | 70.2 | Confident | 81 Ų | 81 | 80 Ų | 80 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 96.3 | 177.3 | -177.5 | 10.7 | 0 | 0 | 0 | 109.3 | Y382 | Y382-N405 CarbonylContact O-C 3.56Å; Y382-N405 WeakPolarHBondContact O-CA 3.22Å |
| 406 | L | 74.4 | Confident | 69.9 | Low | 21 Ų | 21 | 75.3 Ų | 75.3 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 111.9 | 173.2 | -178.4 | 68 | 0 | 0 | 0 | 109 | D198 L199 E202 K381 Y382 K408 | D198-L406 HydrophobicContact CB-CD2 4.32Å; L199-L406 HydrophobicContact CB-CD2 4.45Å; L199-L406 HydrophobicContact CD1-CD2 4.43Å; E202-L406 HydrophobicContact CB-CB 4.49Å; E202-L406 HydrophobicContact CG-CB 4.19Å; K381-L406 CarbonylContact C-O 3.56Å; K381-L406 WeakPolarHBondContact CA-O 3.39Å; Y382-L406 PolarHBondContact N-O 3.22Å; Y382-L406 PolarHBondContact O-N 2.86Å; L406-K408 HydrophobicContact CD1-CB 4.34Å |
| 407 | H | 81.5 | Confident | 69.3 | Low | 115 Ų | 115 | 78.2 Ų | 78.2 | 53% | 0.532 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 105.1 | 166.5 | -174.1 | 33.3 | 0 | 0 | 0 | 109.1 | V380 K381 | V380-H407 WeakPolarHBondContact O-CA 3.4Å; K381-H407 WeakPolarHBondContact CE-CE1 3.23Å; K381-H407 WeakPolarHBondContact CG-ND1 3.46Å |
| 408 | K | 79.6 | Confident | 68.9 | Low | 85 Ų | 85 | 75.1 Ų | 75.1 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.2 | -179.2 | -167.5 | 163.4 | 170 | -170.6 | 0 | 110.5 | D198 V380 L406 Y410 | D198-K408 IonicContact OD2-NZ 2.71Å; D198-K408 PolarHBondContact OD2-NZ 3.01Å; V380-K408 PolarHBondContact N-O 2.8Å; V380-K408 PolarHBondContact O-N 3.29Å; V380-K408 VanDerWaalsContact O-N 3.07Å; L406-K408 HydrophobicContact CD1-CB 4.34Å; K408-Y410 HydrophobicContact CB-CE2 3.99Å; K408-Y410 HydrophobicContact CD-CE1 4.22Å; K408-Y410 HydrophobicContact CD-CE2 4.47Å; K408-Y410 WeakPolarHBondContact CD-OH 3.46Å; K408-Y410 HydrophobicContact CG-CE1 4.35Å; K408-Y410 HydrophobicContact CG-CE2 4Å |
| 409 | Q | 80.8 | Confident | 68.3 | Low | 110 Ų | 110 | 81.3 Ų | 81.3 | 51% | 0.514 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.9 | 177 | -174.6 | 172.9 | -27.9 | 0 | 0 | 109 | I378 D411 | I378-Q409 WeakPolarHBondContact O-CA 3.29Å; Q409-D411 WeakPolarHBondContact CG-OD1 3.43Å; Q409-D411 PolarHBondContact NE2-OD1 3.46Å |
| 410 | Y | 77.7 | Confident | 68 | Low | 13 Ų | 13 | 82.1 Ų | 82.1 | 5% | 0.051 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.7 | 179 | -60.1 | -91.7 | 0 | 0 | 0 | 107.8 | L191 A195 D198 S377 I378 V380 K408 | L191-Y410 HydrophobicContact CD2-CD1 4.28Å; A195-Y410 WeakPolarHBondContact CA-OH 3.43Å; A195-Y410 HydrophobicContact CB-CD1 4.41Å; A195-Y410 HydrophobicContact CB-CD2 4.07Å; A195-Y410 HydrophobicContact CB-CE1 4.04Å; A195-Y410 HydrophobicContact CB-CE2 3.68Å; A195-Y410 HydrophobicContact CB-CG 4.42Å; D198-Y410 WeakPolarHBondContact CB-OH 3.39Å; D198-Y410 PolarHBondContact OD2-OH 3.19Å; S377-Y410 WeakPolarHBondContact CA-O 3.33Å; I378-Y410 PolarHBondContact N-O 3.35Å; I378-Y410 PolarHBondContact O-N 3.12Å; V380-Y410 HydrophobicContact CB-CE2 4.23Å; V380-Y410 HydrophobicContact CG2-CD2 4.09Å; V380-Y410 HydrophobicContact CG2-CE2 3.9Å; K408-Y410 HydrophobicContact CB-CE2 3.99Å; K408-Y410 HydrophobicContact CD-CE1 4.22Å; K408-Y410 HydrophobicContact CD-CE2 4.47Å; K408-Y410 WeakPolarHBondContact CD-OH 3.46Å; K408-Y410 HydrophobicContact CG-CE1 4.35Å; K408-Y410 HydrophobicContact CG-CE2 4Å |
| 411 | D | 76.9 | Confident | 68.2 | Low | 101 Ų | 101 | 79.6 Ų | 79.6 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.3 | -179.7 | -57.1 | -44.5 | 0 | 0 | 0 | 109.9 | S377 Q409 | S377-D411 WeakPolarHBondContact CB-OD1 3.38Å; Q409-D411 WeakPolarHBondContact CG-OD1 3.43Å; Q409-D411 PolarHBondContact NE2-OD1 3.46Å |
| 412 | W | 71.7 | Confident | 68.5 | Low | 50 Ų | 50 | 83.3 Ų | 83.3 | 19% | 0.189 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.3 | 168.8 | 76.9 | 92.3 | 0 | 0 | 0 | 111.8 | L191 S375 V376 I378 | L191-W412 HydrophobicContact CD1-CB 3.46Å; L191-W412 VanDerWaalsContact CD1-CB 3.46Å; L191-W412 HydrophobicContact CD1-CG 4.3Å; S375-W412 CarbonylContact C-O 3.4Å; S375-W412 VanDerWaalsContact CA-O 3.31Å; S375-W412 WeakPolarHBondContact CA-O 3.4Å; V376-W412 HydrophobicContact CB-CD2 4.11Å; V376-W412 HydrophobicContact CB-CE3 4.41Å; V376-W412 HydrophobicContact CB-CH2 3.8Å; V376-W412 HydrophobicContact CB-CZ2 3.46Å; V376-W412 VanDerWaalsContact CB-CZ2 3.46Å; V376-W412 HydrophobicContact CB-CZ3 4.26Å; V376-W412 HydrophobicContact CG1-CH2 3.32Å; V376-W412 HydrophobicContact CG1-CZ2 3.38Å; V376-W412 HydrophobicContact CG1-CZ3 3.99Å; V376-W412 HydrophobicContact CG2-CZ2 4.22Å; V376-W412 PolarHBondContact N-O 3.44Å; V376-W412 PolarHBondContact O-N 3.48Å; I378-W412 HydrophobicContact CB-CZ3 4.05Å; I378-W412 HydrophobicContact CD1-CH2 3.37Å; I378-W412 HydrophobicContact CD1-CZ3 3.38Å; I378-W412 HydrophobicContact CG1-CH2 3.62Å; I378-W412 HydrophobicContact CG1-CZ3 3.45Å; I378-W412 VanDerWaalsContact CG1-CZ3 3.45Å |
| 413 | T | 67.6 | Low | 68.9 | Low | 108 Ų | 108 | 81.3 Ų | 81.3 | 66% | 0.663 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 414 | F | 66 | Low | 69.8 | Low | 30 Ų | 30 | 85.4 Ų | 85.4 | 13% | 0.132 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 122.3 | 166.6 | -178.9 | -96.9 | 0 | 0 | 0 | 108.5 | F181 S184 A373 T374 P416 | F181-F414 HydrophobicContact CB-CE2 4.15Å; F181-F414 HydrophobicContact CB-CZ 4.11Å; F181-F414 HydrophobicContact CD2-CD2 4.42Å; F181-F414 AromaticContact CD2-CE2 3.35Å; F181-F414 HydrophobicContact CD2-CE2 3.35Å; F181-F414 AromaticContact CD2-CZ 3.58Å; F181-F414 HydrophobicContact CD2-CZ 3.58Å; F181-F414 HydrophobicContact CE2-CE2 4.03Å; F181-F414 HydrophobicContact CE2-CZ 4.48Å; F181-F414 HydrophobicContact CG-CE2 4.05Å; F181-F414 HydrophobicContact CG-CZ 4.29Å; S184-F414 VanDerWaalsContact CB-CD2 3.44Å; A373-F414 CarbonylContact C-O 3.4Å; A373-F414 WeakPolarHBondContact CA-O 3.09Å; A373-F414 VanDerWaalsContact CB-O 3.25Å; A373-F414 WeakPolarHBondContact CB-O 3.02Å; T374-F414 PolarHBondContact N-O 3.44Å; T374-F414 VanDerWaalsContact O-CB 3.31Å; T374-F414 WeakPolarHBondContact O-CB 3.41Å; T374-F414 PolarHBondContact O-N 3.46Å; F414-P416 HydrophobicContact CD1-CG 4.49Å; F414-P416 HydrophobicContact CE1-CB 4.19Å; F414-P416 HydrophobicContact CE1-CG 3.89Å |
| 415 | S | 62.9 | Low | 70.6 | Confident | 73 Ų | 73 | 86.2 Ų | 86.2 | 51% | 0.51 | 42% | 0.421 | S | S | . | . | trans | -132.4 | 106.9 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | S184 E417 | S184-S415 PolarHBondContact OG-O 3.34Å; S415-E417 PolarHBondContact O-N 3.47Å | ||
| 416 | P | 60 | Low | 71.3 | Confident | 17 Ų | 17 | 84.6 Ų | 84.6 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | trans | -68.7 | 125.8 | 171.6 | 24.4 | -23.5 | 0 | 0 | 0 | 108.8 | V371 F414 A418 | V371-P416 HydrophobicContact CB-CG 4.08Å; V371-P416 HydrophobicContact CG1-CG 4.36Å; F414-P416 HydrophobicContact CD1-CG 4.49Å; F414-P416 HydrophobicContact CE1-CB 4.19Å; F414-P416 HydrophobicContact CE1-CG 3.89Å; P416-A418 VanDerWaalsContact C-N 3.27Å; P416-A418 PolarHBondContact O-N 3.29Å | ||
| 417 | E | 56.5 | Low | 72 | Confident | 160 Ų | 160 | 86.3 Ų | 86.3 | 75% | 0.748 | 43% | 0.433 | S | S | * | . | trans | -76.7 | 78.8 | -180 | -143 | 167.6 | -160.4 | 0 | 0 | 109.3 | S415 | S415-E417 PolarHBondContact O-N 3.47Š| ||
| 418 | A | 54.4 | Low | 72.5 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 26% | 0.256 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -78.8 | -22.6 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L369 P416 R420 C421 | L369-A418 HydrophobicContact CB-CB 4.46Å; L369-A418 HydrophobicContact CD2-CB 4.45Å; L369-A418 WeakPolarHBondContact O-CB 3.36Å; P416-A418 VanDerWaalsContact C-N 3.27Å; P416-A418 PolarHBondContact O-N 3.29Å; A418-R420 VanDerWaalsContact C-N 3.26Å; A418-R420 PolarHBondContact O-N 2.76Å; A418-C421 PolarHBondContact O-N 3.49Å |
| 419 | L | 52.3 | Low | 73 | Confident | 177 Ų | 177 | 80.6 Ų | 80.6 | 93% | 0.927 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -71.5 | -9.2 | -161.3 | -136.9 | 90.1 | 0 | 0 | 0 | 115.8 | ||
| 420 | R | 59.6 | Low | 73.5 | Confident | 235 Ų | 235 | 80.6 Ų | 80.6 | 89% | 0.887 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -105.9 | 6 | -176.1 | -69.2 | -171.9 | -177.9 | -170.1 | 2.5 | 115 | A418 | A418-R420 VanDerWaalsContact C-N 3.26Å; A418-R420 PolarHBondContact O-N 2.76Å |
| 421 | C | 71.9 | Confident | 74.2 | Confident | 10 Ų | 10 | 89 Ų | 89 | 7% | 0.068 | 45% | 0.446 | C | S | . | . | trans | -112 | 2.2 | -162.5 | -68.5 | 0 | 0 | 0 | 0 | 115.3 | C176 L369 A418 | C176-C421 HydrophobicContact CB-CB 3.32Å; C176-C421 WeakPolarHBondContact CB-SG 3.27Å; C176-C421 VanDerWaalsContact SG-CA 3.53Å; C176-C421 WeakPolarHBondContact SG-CB 3.42Å; C176-C421 CovalentContact SG-SG 2.01Å; C176-C421 PolarHBondContact SG-SG 3.41Å; L369-C421 HydrophobicContact CD2-CB 3.71Å; A418-C421 PolarHBondContact O-N 3.49Å | ||
| 422 | Y | 71.6 | Confident | 74.8 | Confident | 149 Ų | 149 | 85.3 Ų | 85.3 | 58% | 0.584 | 43% | 0.427 | S | S | * | . | trans | -77.7 | 123 | 177.8 | -177.9 | -101.2 | 0 | 0 | 0 | 111.4 | L369 | L369-Y422 HydrophobicContact CD1-CD2 4.1Š| ||
| 423 | I | 75.8 | Confident | 75.8 | Confident | 68 Ų | 68 | 87.2 Ų | 87.2 | 35% | 0.349 | 43% | 0.434 | S | S | . | . | trans | -121.3 | 135.6 | 168.2 | -60.5 | -176.2 | 0 | 0 | 0 | 107.9 | V169 H172 | V169-I423 HydrophobicContact CG1-CB 4.13Å; V169-I423 HydrophobicContact CG2-CB 4.26Å; V169-I423 HydrophobicContact CG2-CG2 3.78Å; H172-I423 HydrophobicContact CB-CD1 3.67Å; H172-I423 VanDerWaalsContact ND1-CD1 3.29Å; H172-I423 WeakPolarHBondContact ND1-CD1 3.3Å | ||
| 424 | E | 80.8 | Confident | 77.1 | Confident | 154 Ų | 154 | 86.7 Ų | 86.7 | 72% | 0.72 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 126.4 | 179.7 | -167.9 | 170.3 | -174.9 | 0 | 0 | 111.3 | ||
| 425 | P | 85.9 | Confident | 78.4 | Confident | 23 Ų | 23 | 89.7 Ų | 89.7 | 15% | 0.149 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 151.2 | 177.1 | 27.4 | -31.5 | 0 | 0 | 0 | 112.5 | Y358 V361 T362 | Y358-P425 HydrophobicContact CD2-CB 4.24Å; Y358-P425 HydrophobicContact CE2-CB 4.25Å; Y358-P425 HydrophobicContact CE2-CG 4.25Å; V361-P425 HydrophobicContact CB-CB 4.3Å; V361-P425 HydrophobicContact CG1-CB 3.73Å; V361-P425 HydrophobicContact CG1-CG 4.28Å; T362-P425 HydrophobicContact CG2-CB 4.38Å; T362-P425 HydrophobicContact CG2-CG 3.56Å |
| 426 | S | 88.4 | Confident | 79.9 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 116.2 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | N162 N166 Y358 | N162-S426 PolarHBondContact ND2-O 2.85Å; N162-S426 VanDerWaalsContact OD1-CB 3.23Å; N162-S426 WeakPolarHBondContact OD1-CB 3.21Å; N162-S426 PolarHBondContact OD1-O 3.45Å; N162-S426 PolarHBondContact OD1-OG 3.5Å; N166-S426 PolarHBondContact ND2-O 2.87Å; N166-S426 PolarHBondContact OD1-N 3.1Å; N166-S426 PolarHBondContact OD1-O 3.39Å; Y358-S426 WeakPolarHBondContact CD2-O 3.48Å |
| 427 | A | 90.1 | Very high | 81.5 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 142.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y358 D429 | Y358-A427 HydrophobicContact CD2-CB 4.46Å; Y358-A427 HydrophobicContact CE2-CB 3.83Å; A427-D429 PolarHBondContact O-N 2.88Å |
| 428 | P | 91.1 | Very high | 83.3 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 12% | 0.123 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 124.5 | 176.7 | -25.3 | 34.1 | 0 | 0 | 0 | 113.5 | D354 Y358 L430 | D354-P428 WeakPolarHBondContact OD2-CB 3.27Å; Y358-P428 HydrophobicContact CG-CG 4.41Å; P428-L430 PolarHBondContact O-N 3.34Å |
| 429 | D | 90.2 | Very high | 85.3 | Confident | 61 Ų | 61 | 83.9 Ų | 83.9 | 33% | 0.326 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 120.2 | -177.5 | -172.5 | -16.5 | 0 | 0 | 0 | 112.4 | A427 R431 V432 R433 | A427-D429 PolarHBondContact O-N 2.88Å; D429-R431 VanDerWaalsContact C-N 3.34Å; D429-R431 PolarHBondContact O-N 3.47Å; D429-R431 WeakPolarHBondContact OD1-CB 3.41Å; D429-R431 IonicContact OD1-CZ 3.78Å; D429-R431 PolarHBondContact OD1-N 3.4Å; D429-R431 IonicContact OD1-NE 3.46Å; D429-R431 IonicContact OD1-NH2 2.76Å; D429-R431 IonicContact OD2-CZ 3.29Å; D429-R431 IonicContact OD2-NE 3.43Å; D429-R431 IonicContact OD2-NH2 3.62Å; D429-R431 PolarHBondContact OD2-NH2 3.35Å; D429-V432 HydrophobicContact CB-CB 4.34Å; D429-V432 HydrophobicContact CB-CG2 3.96Å; D429-V432 PolarHBondContact O-N 3.41Å; D429-R433 PolarHBondContact O-N 2.92Å |
| 430 | L | 91.4 | Very high | 87.2 | Confident | 110 Ų | 110 | 76 Ų | 76 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.7 | -39.4 | 176.5 | -178.5 | 63.4 | 0 | 0 | 0 | 113.1 | P428 V432 R433 V434 | P428-L430 PolarHBondContact O-N 3.34Å; L430-V432 VanDerWaalsContact C-N 3.32Å; L430-V432 PolarHBondContact O-N 2.77Å; L430-R433 PolarHBondContact O-N 2.64Å; L430-V434 HydrophobicContact CD1-CG2 4.21Å; L430-V434 HydrophobicContact CG-CG2 4.32Å; L430-V434 WeakPolarHBondContact O-CG2 3.5Å; L430-V434 PolarHBondContact O-N 3.29Å |
| 431 | R | 92.1 | Very high | 88.8 | Confident | 189 Ų | 189 | 69.5 Ų | 69.5 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | -177.9 | -65.1 | -177.3 | -60.4 | -106.4 | -11.6 | 111.3 | D429 R433 V434 F435 | D429-R431 VanDerWaalsContact C-N 3.34Å; D429-R431 PolarHBondContact O-N 3.47Å; D429-R431 WeakPolarHBondContact OD1-CB 3.41Å; D429-R431 IonicContact OD1-CZ 3.78Å; D429-R431 PolarHBondContact OD1-N 3.4Å; D429-R431 IonicContact OD1-NE 3.46Å; D429-R431 IonicContact OD1-NH2 2.76Å; D429-R431 IonicContact OD2-CZ 3.29Å; D429-R431 IonicContact OD2-NE 3.43Å; D429-R431 IonicContact OD2-NH2 3.62Å; D429-R431 PolarHBondContact OD2-NH2 3.35Å; R431-R433 VanDerWaalsContact C-N 3.33Å; R431-R433 PolarHBondContact O-N 2.82Å; R431-V434 PolarHBondContact O-N 2.93Å; R431-F435 VanDerWaalsContact O-CB 3.27Å; R431-F435 WeakPolarHBondContact O-CB 3.41Å; R431-F435 PolarHBondContact O-N 2.87Å |
| 432 | V | 91.2 | Very high | 89.9 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | V154 I159 D429 L430 F435 L436 | V154-V432 HydrophobicContact CG1-CG1 3.77Å; I159-V432 HydrophobicContact CD1-CG1 4.37Å; I159-V432 HydrophobicContact CG1-CG1 4.23Å; D429-V432 HydrophobicContact CB-CB 4.34Å; D429-V432 HydrophobicContact CB-CG2 3.96Å; D429-V432 PolarHBondContact O-N 3.41Å; L430-V432 VanDerWaalsContact C-N 3.32Å; L430-V432 PolarHBondContact O-N 2.77Å; V432-F435 PolarHBondContact O-N 3.49Å; V432-L436 WeakPolarHBondContact O-CB 3.47Å; V432-L436 PolarHBondContact O-N 2.93Å |
| 433 | R | 92.4 | Very high | 91 | Very high | 89 Ų | 89 | 64.8 Ų | 64.8 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 177.7 | -62.7 | -169 | -67.4 | -144.7 | -6.3 | 112.6 | M351 D429 L430 R431 F435 L436 G437 | M351-R433 HydrophobicContact CE-CB 3.83Å; M351-R433 HydrophobicContact CE-CG 3.58Å; D429-R433 PolarHBondContact O-N 2.92Å; L430-R433 PolarHBondContact O-N 2.64Å; R431-R433 VanDerWaalsContact C-N 3.33Å; R431-R433 PolarHBondContact O-N 2.82Å; R433-F435 VanDerWaalsContact C-N 3.34Å; R433-L436 PolarHBondContact O-N 3.27Å; R433-G437 PolarHBondContact O-N 2.98Å |
| 434 | V | 94.3 | Very high | 91.8 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | L430 R431 L436 G437 L438 | L430-V434 HydrophobicContact CD1-CG2 4.21Å; L430-V434 HydrophobicContact CG-CG2 4.32Å; L430-V434 WeakPolarHBondContact O-CG2 3.5Å; L430-V434 PolarHBondContact O-N 3.29Å; R431-V434 PolarHBondContact O-N 2.93Å; V434-L436 PolarHBondContact O-N 3.38Å; V434-G437 PolarHBondContact O-N 3.31Å; V434-L438 PolarHBondContact O-N 3.5Å |
| 435 | F | 93.4 | Very high | 92.3 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 177.2 | -178.5 | -106.8 | 0 | 0 | 0 | 112.1 | V154 R431 V432 R433 L438 L439 | V154-F435 HydrophobicContact CG1-CD1 4.4Å; V154-F435 HydrophobicContact CG2-CD1 4.43Å; V154-F435 HydrophobicContact CG2-CE1 4.02Å; R431-F435 VanDerWaalsContact O-CB 3.27Å; R431-F435 WeakPolarHBondContact O-CB 3.41Å; R431-F435 PolarHBondContact O-N 2.87Å; V432-F435 PolarHBondContact O-N 3.49Å; R433-F435 VanDerWaalsContact C-N 3.34Å; F435-L438 WeakPolarHBondContact O-CB 3.3Å; F435-L438 PolarHBondContact O-N 2.93Å; F435-L439 HydrophobicContact CD1-CD1 3.98Å; F435-L439 HydrophobicContact CD1-CG 4.43Å; F435-L439 HydrophobicContact CE1-CD1 3.45Å; F435-L439 VanDerWaalsContact CE1-CD1 3.45Å; F435-L439 HydrophobicContact CE1-CG 4.05Å; F435-L439 HydrophobicContact CZ-CD1 3.89Å; F435-L439 HydrophobicContact CZ-CD2 4.18Å; F435-L439 HydrophobicContact CZ-CG 4.12Å; F435-L439 WeakPolarHBondContact O-CG 3.4Å; F435-L439 PolarHBondContact O-N 2.93Å |
| 436 | L | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -39 | 178.7 | -161.4 | 59.4 | 0 | 0 | 0 | 111.9 | L155 I159 I347 M351 V432 R433 V434 L438 L439 C440 | L155-L436 HydrophobicContact CD1-CD2 4.37Å; I159-L436 HydrophobicContact CD1-CD2 3.9Å; I347-L436 HydrophobicContact CD1-CD1 4.37Å; I347-L436 HydrophobicContact CG2-CD2 3.27Å; I347-L436 HydrophobicContact CG2-CG 3.77Å; M351-L436 HydrophobicContact SD-CD2 3.92Å; V432-L436 WeakPolarHBondContact O-CB 3.47Å; V432-L436 PolarHBondContact O-N 2.93Å; R433-L436 PolarHBondContact O-N 3.27Å; V434-L436 PolarHBondContact O-N 3.38Å; L436-L438 VanDerWaalsContact C-N 3.35Å; L436-L438 PolarHBondContact O-N 3.11Å; L436-L439 HydrophobicContact CD1-CD1 4.49Å; L436-L439 PolarHBondContact O-N 3.33Å; L436-C440 PolarHBondContact O-N 2.78Å; L436-C440 PolarHBondContact O-SG 3.49Å |
| 437 | G | 93.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 38% | 0.381 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R433 V434 C440 L441 | R433-G437 PolarHBondContact O-N 2.98Å; V434-G437 PolarHBondContact O-N 3.31Å; G437-C440 WeakPolarHBondContact O-CB 3.5Å; G437-C440 PolarHBondContact O-N 3.13Å; G437-L441 PolarHBondContact O-N 2.88Å |
| 438 | L | 95.4 | Very high | 92.7 | Very high | 96 Ų | 96 | 60.5 Ų | 60.5 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 174.9 | -179 | 64.7 | 0 | 0 | 0 | 111.8 | V434 F435 L436 C440 L441 V442 | V434-L438 PolarHBondContact O-N 3.5Å; F435-L438 WeakPolarHBondContact O-CB 3.3Å; F435-L438 PolarHBondContact O-N 2.93Å; L436-L438 VanDerWaalsContact C-N 3.35Å; L436-L438 PolarHBondContact O-N 3.11Å; L438-C440 VanDerWaalsContact C-N 3.25Å; L438-C440 PolarHBondContact O-N 3.46Å; L438-L441 PolarHBondContact O-N 3.47Å; L438-V442 HydrophobicContact CD1-CG2 4.34Å; L438-V442 HydrophobicContact CG-CG2 4.46Å; L438-V442 VanDerWaalsContact O-CG2 3.31Å; L438-V442 WeakPolarHBondContact O-CG2 3.27Å; L438-V442 PolarHBondContact O-N 3.32Å |
| 439 | L | 94.7 | Very high | 92.6 | Very high | 24 Ų | 24 | 63.5 Ų | 63.5 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 175.5 | -71.8 | -179.7 | 0 | 0 | 0 | 111.7 | I147 T150 F435 L436 V442 S443 | I147-L439 HydrophobicContact CG2-CB 4.09Å; I147-L439 HydrophobicContact CG2-CD2 4.27Å; I147-L439 VanDerWaalsContact CG2-O 3.31Å; I147-L439 WeakPolarHBondContact CG2-O 3.29Å; T150-L439 HydrophobicContact CG2-CD1 4.23Å; F435-L439 HydrophobicContact CD1-CD1 3.98Å; F435-L439 HydrophobicContact CD1-CG 4.43Å; F435-L439 HydrophobicContact CE1-CD1 3.45Å; F435-L439 VanDerWaalsContact CE1-CD1 3.45Å; F435-L439 HydrophobicContact CE1-CG 4.05Å; F435-L439 HydrophobicContact CZ-CD1 3.89Å; F435-L439 HydrophobicContact CZ-CD2 4.18Å; F435-L439 HydrophobicContact CZ-CG 4.12Å; F435-L439 WeakPolarHBondContact O-CG 3.4Å; F435-L439 PolarHBondContact O-N 2.93Å; L436-L439 HydrophobicContact CD1-CD1 4.49Å; L436-L439 PolarHBondContact O-N 3.33Å; L439-V442 PolarHBondContact O-N 3.11Å; L439-S443 WeakPolarHBondContact O-CB 3.44Å; L439-S443 PolarHBondContact O-N 3.33Å |
| 440 | C | 92.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 176 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | F344 L436 G437 L438 V442 S443 Y444 | F344-C440 HydrophobicContact CD2-CB 3.82Å; F344-C440 WeakPolarHBondContact CD2-SG 3.34Å; F344-C440 HydrophobicContact CE2-CB 3.85Å; L436-C440 PolarHBondContact O-N 2.78Å; L436-C440 PolarHBondContact O-SG 3.49Å; G437-C440 WeakPolarHBondContact O-CB 3.5Å; G437-C440 PolarHBondContact O-N 3.13Å; L438-C440 VanDerWaalsContact C-N 3.25Å; L438-C440 PolarHBondContact O-N 3.46Å; C440-V442 PolarHBondContact O-N 3.36Å; C440-S443 WeakPolarHBondContact O-CB 3.44Å; C440-S443 PolarHBondContact O-N 2.94Å; C440-S443 VanDerWaalsContact O-N 3.15Å; C440-Y444 WeakPolarHBondContact O-CD2 3.47Å; C440-Y444 PolarHBondContact O-N 3.06Å; C440-Y444 VanDerWaalsContact O-N 3.07Å |
| 441 | L | 94.2 | Very high | 92.6 | Very high | 100 Ų | 100 | 56 Ų | 56 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 175.8 | 178.4 | 63.6 | 0 | 0 | 0 | 111.5 | G437 L438 S443 Y444 I445 | G437-L441 PolarHBondContact O-N 2.88Å; L438-L441 PolarHBondContact O-N 3.47Å; L441-S443 VanDerWaalsContact C-N 3.3Å; L441-S443 PolarHBondContact O-N 3.14Å; L441-Y444 PolarHBondContact O-N 3.47Å; L441-I445 HydrophobicContact CD1-CD1 4.19Å; L441-I445 HydrophobicContact CG-CD1 3.96Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.31Å |
| 442 | V | 94.2 | Very high | 92.5 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 33% | 0.333 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | I147 L438 L439 C440 Y444 I445 M446 | I147-V442 HydrophobicContact CD1-CG1 3.77Å; L438-V442 HydrophobicContact CD1-CG2 4.34Å; L438-V442 HydrophobicContact CG-CG2 4.46Å; L438-V442 VanDerWaalsContact O-CG2 3.31Å; L438-V442 WeakPolarHBondContact O-CG2 3.27Å; L438-V442 PolarHBondContact O-N 3.32Å; L439-V442 PolarHBondContact O-N 3.11Å; C440-V442 PolarHBondContact O-N 3.36Å; V442-Y444 PolarHBondContact O-N 3.36Å; V442-I445 PolarHBondContact O-N 3.28Å; V442-M446 HydrophobicContact CG1-CG 4.1Å; V442-M446 WeakPolarHBondContact O-CB 3.31Å; V442-M446 WeakPolarHBondContact O-CG 3.36Å; V442-M446 PolarHBondContact O-N 3.03Å |
| 443 | S | 94.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 176.7 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | L439 C440 L441 M446 V447 | L439-S443 WeakPolarHBondContact O-CB 3.44Å; L439-S443 PolarHBondContact O-N 3.33Å; C440-S443 WeakPolarHBondContact O-CB 3.44Å; C440-S443 PolarHBondContact O-N 2.94Å; C440-S443 VanDerWaalsContact O-N 3.15Å; L441-S443 VanDerWaalsContact C-N 3.3Å; L441-S443 PolarHBondContact O-N 3.14Å; S443-M446 WeakPolarHBondContact O-CB 3.38Å; S443-M446 PolarHBondContact O-N 2.71Å; S443-V447 WeakPolarHBondContact O-CG2 3.31Å; S443-V447 PolarHBondContact O-N 2.86Å |
| 444 | Y | 92.6 | Very high | 92.4 | Very high | 70 Ų | 70 | 48 Ų | 48 | 28% | 0.275 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 175.1 | -79.6 | -72.4 | 0 | 0 | 0 | 112.4 | I337 V340 T341 C440 L441 V442 M446 V447 | I337-Y444 HydrophobicContact CG2-CE1 4.47Å; V340-Y444 HydrophobicContact CB-CE1 4.47Å; V340-Y444 HydrophobicContact CG1-CD1 4.2Å; V340-Y444 HydrophobicContact CG1-CD2 4.24Å; V340-Y444 HydrophobicContact CG1-CE1 3.96Å; V340-Y444 HydrophobicContact CG1-CE2 3.99Å; V340-Y444 HydrophobicContact CG1-CG 4.33Å; T341-Y444 VanDerWaalsContact CA-OH 3.3Å; T341-Y444 WeakPolarHBondContact CA-OH 3.24Å; T341-Y444 WeakPolarHBondContact CB-OH 3.2Å; T341-Y444 PolarHBondContact OG1-OH 3.01Å; C440-Y444 WeakPolarHBondContact O-CD2 3.47Å; C440-Y444 PolarHBondContact O-N 3.06Å; C440-Y444 VanDerWaalsContact O-N 3.07Å; L441-Y444 PolarHBondContact O-N 3.47Å; V442-Y444 PolarHBondContact O-N 3.36Å; Y444-M446 PolarHBondContact O-N 3.07Å; Y444-V447 WeakPolarHBondContact O-CB 3.43Å; Y444-V447 PolarHBondContact O-N 3.43Å; Y444-V447 VanDerWaalsContact O-N 3.11Å |
| 445 | I | 92.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 43.8 Ų | 43.8 | 40% | 0.4 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.2 | -68.1 | 169.4 | 0 | 0 | 0 | 110.2 | L441 V442 V447 L448 L449 | L441-I445 HydrophobicContact CD1-CD1 4.19Å; L441-I445 HydrophobicContact CG-CD1 3.96Å; L441-I445 WeakPolarHBondContact O-CG1 3.46Å; L441-I445 PolarHBondContact O-N 3.31Å; V442-I445 PolarHBondContact O-N 3.28Å; I445-V447 PolarHBondContact O-N 3.29Å; I445-L448 WeakPolarHBondContact O-CB 3Å; I445-L448 PolarHBondContact O-N 2.91Å; I445-L449 HydrophobicContact CG2-CD1 3.68Å; I445-L449 HydrophobicContact CG2-CG 3.96Å; I445-L449 WeakPolarHBondContact O-CG 2.97Å; I445-L449 PolarHBondContact O-N 3.42Å |
| 446 | M | 92.2 | Very high | 92.2 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -28.6 | 178.9 | -74.1 | -73.9 | -76.6 | 0 | 0 | 113.3 | L138 G139 I147 V442 S443 Y444 L448 L449 E450 | L138-M446 WeakPolarHBondContact O-CE 3.48Å; G139-M446 VanDerWaalsContact CA-CE 3.48Å; I147-M446 HydrophobicContact CD1-CG 3.99Å; V442-M446 HydrophobicContact CG1-CG 4.1Å; V442-M446 WeakPolarHBondContact O-CB 3.31Å; V442-M446 WeakPolarHBondContact O-CG 3.36Å; V442-M446 PolarHBondContact O-N 3.03Å; S443-M446 WeakPolarHBondContact O-CB 3.38Å; S443-M446 PolarHBondContact O-N 2.71Å; Y444-M446 PolarHBondContact O-N 3.07Å; M446-L448 VanDerWaalsContact C-N 3.32Å; M446-L448 PolarHBondContact O-N 3.43Å; M446-L449 PolarHBondContact O-N 3.28Å; M446-L449 HydrophobicContact SD-CD1 4.42Å; M446-E450 VanDerWaalsContact O-CB 3.29Å; M446-E450 WeakPolarHBondContact O-CB 3.09Å; M446-E450 PolarHBondContact O-N 3.24Å |
| 447 | V | 92 | Very high | 92.2 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -36.7 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | C333 P336 I337 V340 S443 Y444 I445 | C333-V447 HydrophobicContact CB-CG1 3.9Å; P336-V447 HydrophobicContact CB-CG1 3.95Å; P336-V447 HydrophobicContact CB-CG2 4.21Å; I337-V447 HydrophobicContact CD1-CG1 4.44Å; I337-V447 HydrophobicContact CG1-CG1 3.76Å; V340-V447 HydrophobicContact CG2-CG2 4.27Å; S443-V447 WeakPolarHBondContact O-CG2 3.31Å; S443-V447 PolarHBondContact O-N 2.86Å; Y444-V447 WeakPolarHBondContact O-CB 3.43Å; Y444-V447 PolarHBondContact O-N 3.43Å; Y444-V447 VanDerWaalsContact O-N 3.11Å; I445-V447 PolarHBondContact O-N 3.29Å |
| 448 | L | 87.4 | Confident | 92.1 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 44% | 0.44 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -75.1 | -43.9 | 174.7 | -59.7 | 178 | 0 | 0 | 0 | 110.9 | I445 M446 E450 V451 | I445-L448 WeakPolarHBondContact O-CB 3Å; I445-L448 PolarHBondContact O-N 2.91Å; M446-L448 VanDerWaalsContact C-N 3.32Å; M446-L448 PolarHBondContact O-N 3.43Å; L448-E450 PolarHBondContact O-N 2.76Å; L448-V451 PolarHBondContact O-N 3.02Å |
| 449 | L | 89.5 | Confident | 92 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 43% | 0.429 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -25.8 | 177.7 | -65.6 | -178.7 | 0 | 0 | 0 | 112.7 | I445 M446 V451 Y452 A453 | I445-L449 HydrophobicContact CG2-CD1 3.68Å; I445-L449 HydrophobicContact CG2-CG 3.96Å; I445-L449 WeakPolarHBondContact O-CG 2.97Å; I445-L449 PolarHBondContact O-N 3.42Å; M446-L449 PolarHBondContact O-N 3.28Å; M446-L449 HydrophobicContact SD-CD1 4.42Å; L449-V451 PolarHBondContact O-N 3.09Å; L449-V451 VanDerWaalsContact O-N 3.15Å; L449-Y452 HydrophobicContact CD2-CD2 4.45Å; L449-Y452 PolarHBondContact O-N 2.99Å; L449-A453 WeakPolarHBondContact O-CB 3.25Å; L449-A453 PolarHBondContact O-N 3.2Å |
| 450 | E | 91.9 | Very high | 92 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.5 | -30.1 | 178.5 | 176 | 167.7 | -166.6 | 0 | 0 | 113.2 | G139 K141 R144 M446 L448 R454 | G139-E450 WeakPolarHBondContact O-CA 3.31Å; K141-E450 PolarHBondContact N-OE1 3.48Å; R144-E450 IonicContact CZ-OE2 2.98Å; R144-E450 IonicContact NH1-OE2 3.4Å; R144-E450 PolarHBondContact NH1-OE2 2.83Å; R144-E450 IonicContact NH2-OE2 2.67Å; R144-E450 PolarHBondContact NH2-OE2 2.97Å; M446-E450 VanDerWaalsContact O-CB 3.29Å; M446-E450 WeakPolarHBondContact O-CB 3.09Å; M446-E450 PolarHBondContact O-N 3.24Å; L448-E450 PolarHBondContact O-N 2.76Å; E450-R454 WeakPolarHBondContact O-CB 3.47Å; E450-R454 VanDerWaalsContact O-CG 3.3Å; E450-R454 WeakPolarHBondContact O-CG 3.48Å; E450-R454 PolarHBondContact O-N 3.48Å; E450-R454 VanDerWaalsContact O-N 3.11Å; E450-R454 PolarHBondContact O-NE 3.08Å; E450-R454 VanDerWaalsContact O-NE 3.13Å |
| 451 | V | 90.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 173.7 | -180 | 0 | 0 | 0 | 0 | 110.3 | E329 L448 L449 R454 R455 | E329-V451 HydrophobicContact CB-CG1 4.22Å; E329-V451 HydrophobicContact CB-CG2 4.36Å; E329-V451 HydrophobicContact CG-CG1 4.23Å; E329-V451 VanDerWaalsContact OE1-CG1 3.3Å; E329-V451 WeakPolarHBondContact OE1-CG1 3.23Å; L448-V451 PolarHBondContact O-N 3.02Å; L449-V451 PolarHBondContact O-N 3.09Å; L449-V451 VanDerWaalsContact O-N 3.15Å; V451-R454 PolarHBondContact O-N 3.3Å; V451-R455 WeakPolarHBondContact O-CG 3.35Å; V451-R455 PolarHBondContact O-N 3.45Å |
| 452 | Y | 89.8 | Confident | 92 | Very high | 75 Ų | 75 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.7 | -39.8 | -179.9 | -58.9 | -72.2 | 0 | 0 | 0 | 112.1 | C323 L449 R454 R455 I456 | C323-Y452 PolarHBondContact O-OH 3.31Å; L449-Y452 HydrophobicContact CD2-CD2 4.45Å; L449-Y452 PolarHBondContact O-N 2.99Å; Y452-R454 VanDerWaalsContact C-N 3.31Å; Y452-R454 PolarHBondContact O-N 2.88Å; Y452-R455 CarbonylContact O-C 3.59Å; Y452-R455 PolarHBondContact O-N 2.86Å; Y452-R455 VanDerWaalsContact O-N 3.12Å; Y452-I456 VanDerWaalsContact O-CG1 3.3Å; Y452-I456 WeakPolarHBondContact O-CG1 3.42Å; Y452-I456 PolarHBondContact O-N 2.84Å |
| 453 | A | 92.5 | Very high | 92 | Very high | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.2 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P136 G139 T140 L449 R455 I456 R457 | P136-A453 WeakPolarHBondContact O-CB 2.79Å; G139-A453 VanDerWaalsContact O-CB 3.3Å; G139-A453 WeakPolarHBondContact O-CB 3.45Å; T140-A453 HydrophobicContact CG2-CB 3.99Å; L449-A453 WeakPolarHBondContact O-CB 3.25Å; L449-A453 PolarHBondContact O-N 3.2Å; A453-R455 PolarHBondContact O-N 2.95Å; A453-I456 PolarHBondContact O-N 2.88Å; A453-R457 WeakPolarHBondContact O-CG 2.93Å; A453-R457 PolarHBondContact O-N 3.37Å |
| 454 | R | 89.6 | Confident | 92.1 | Very high | 53 Ų | 53 | 36 Ų | 36 | 20% | 0.2 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 173.8 | -77.5 | -178.4 | -80.1 | -168 | -1.7 | 112.3 | E450 V451 Y452 I456 R457 R458 | E450-R454 WeakPolarHBondContact O-CB 3.47Å; E450-R454 VanDerWaalsContact O-CG 3.3Å; E450-R454 WeakPolarHBondContact O-CG 3.48Å; E450-R454 PolarHBondContact O-N 3.48Å; E450-R454 VanDerWaalsContact O-N 3.11Å; E450-R454 PolarHBondContact O-NE 3.08Å; E450-R454 VanDerWaalsContact O-NE 3.13Å; V451-R454 PolarHBondContact O-N 3.3Å; Y452-R454 VanDerWaalsContact C-N 3.31Å; Y452-R454 PolarHBondContact O-N 2.88Å; R454-I456 VanDerWaalsContact C-N 3.34Å; R454-I456 PolarHBondContact O-N 2.92Å; R454-R457 PolarHBondContact O-N 2.01Å; R454-R458 PolarHBondContact O-N 2.63Å; R454-R458 VanDerWaalsContact O-N 3.09Å |
| 455 | R | 91.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 177.7 | -66.5 | 171.9 | 179.5 | -165.7 | 6.8 | 112.5 | Y293 S322 K324 E329 V451 Y452 A453 K459 | Y293-R455 HydrophobicContact CE1-CG 3.89Å; S322-R455 PolarHBondContact O-NH1 3.04Å; K324-R455 PolarHBondContact O-NH2 3.44Å; E329-R455 IonicContact OE1-CZ 3.62Å; E329-R455 VanDerWaalsContact OE1-CZ 3.28Å; E329-R455 IonicContact OE1-NE 3.28Å; E329-R455 PolarHBondContact OE1-NE 2.89Å; E329-R455 IonicContact OE1-NH2 3.82Å; E329-R455 PolarHBondContact OE1-NH2 3.07Å; E329-R455 IonicContact OE2-CZ 3.7Å; E329-R455 IonicContact OE2-NH2 3.7Å; E329-R455 PolarHBondContact OE2-NH2 2.89Å; V451-R455 WeakPolarHBondContact O-CG 3.35Å; V451-R455 PolarHBondContact O-N 3.45Å; Y452-R455 CarbonylContact O-C 3.59Å; Y452-R455 PolarHBondContact O-N 2.86Å; Y452-R455 VanDerWaalsContact O-N 3.12Å; A453-R455 PolarHBondContact O-N 2.95Å; R455-K459 WeakPolarHBondContact O-CG 3.33Å; R455-K459 PolarHBondContact O-N 2.95Å |
| 456 | I | 91.8 | Very high | 92.2 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 44% | 0.436 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.2 | -49.4 | 175.2 | -68.2 | 165.9 | 0 | 0 | 0 | 109.7 | P136 Y452 A453 R454 R458 K459 V460 | P136-I456 HydrophobicContact CB-CB 4.13Å; P136-I456 HydrophobicContact CB-CG2 3.74Å; P136-I456 HydrophobicContact CG-CG2 4.07Å; Y452-I456 VanDerWaalsContact O-CG1 3.3Å; Y452-I456 WeakPolarHBondContact O-CG1 3.42Å; Y452-I456 PolarHBondContact O-N 2.84Å; A453-I456 PolarHBondContact O-N 2.88Å; R454-I456 VanDerWaalsContact C-N 3.34Å; R454-I456 PolarHBondContact O-N 2.92Å; I456-R458 VanDerWaalsContact C-N 3.26Å; I456-R458 PolarHBondContact O-N 3.27Å; I456-K459 PolarHBondContact O-N 3.42Å; I456-V460 HydrophobicContact CG2-CG2 4.08Å; I456-V460 WeakPolarHBondContact O-CG2 3.42Å; I456-V460 PolarHBondContact O-N 3.09Å |
| 457 | R | 93.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.2 | -46.9 | 176.4 | -73.5 | -167.3 | -58.1 | 172.8 | 3.8 | 111.8 | M133 P136 T137 Y279 A453 R454 V460 S461 | M133-R457 HydrophobicContact CE-CB 3.7Å; M133-R457 HydrophobicContact CE-CG 3.86Å; P136-R457 HydrophobicContact CB-CG 3.77Å; P136-R457 HydrophobicContact CG-CG 3.83Å; T137-R457 WeakPolarHBondContact OG1-CD 3.49Å; Y279-R457 HydrophobicContact CE1-CB 4.17Å; A453-R457 WeakPolarHBondContact O-CG 2.93Å; A453-R457 PolarHBondContact O-N 3.37Å; R454-R457 PolarHBondContact O-N 2.01Å; R457-V460 PolarHBondContact O-N 2.97Å; R457-S461 PolarHBondContact O-N 2.83Å; R457-S461 PolarHBondContact O-OG 2.81Å; R457-S461 VanDerWaalsContact O-OG 3.07Å |
| 458 | R | 92.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.7 | -177.2 | -91.2 | -177.5 | -158.7 | -10 | 112.8 | Y283 Y293 R454 I456 S461 A462 E469 | Y283-R458 HydrophobicContact CE2-CG 4.44Å; Y293-R458 HydrophobicContact CD2-CG 4Å; Y293-R458 HydrophobicContact CE2-CB 4.42Å; Y293-R458 HydrophobicContact CE2-CG 3.93Å; R454-R458 PolarHBondContact O-N 2.63Å; R454-R458 VanDerWaalsContact O-N 3.09Å; I456-R458 VanDerWaalsContact C-N 3.26Å; I456-R458 PolarHBondContact O-N 3.27Å; R458-S461 PolarHBondContact O-N 2.86Å; R458-A462 WeakPolarHBondContact O-CB 3.34Å; R458-A462 PolarHBondContact O-N 2.93Å; R458-E469 IonicContact CZ-OE1 3.7Å; R458-E469 IonicContact NH1-OE1 2.77Å; R458-E469 IonicContact NH2-OE1 2.8Å; R458-E469 PolarHBondContact NH2-OE1 2.97Å; R458-E469 IonicContact NH2-OE2 2.62Å |
| 459 | K | 92.3 | Very high | 92.6 | Very high | 88 Ų | 88 | 36.1 Ų | 36.1 | 38% | 0.383 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 176.7 | -76.5 | 177.7 | -177.8 | 173 | 0 | 112.6 | S320 R455 I456 A462 S463 | S320-K459 WeakPolarHBondContact O-CE 3.34Å; S320-K459 PolarHBondContact O-NZ 3.44Å; S320-K459 VanDerWaalsContact OG-CE 3.27Å; S320-K459 WeakPolarHBondContact OG-CE 3.45Å; R455-K459 WeakPolarHBondContact O-CG 3.33Å; R455-K459 PolarHBondContact O-N 2.95Å; I456-K459 PolarHBondContact O-N 3.42Å; K459-A462 PolarHBondContact O-N 3.39Å; K459-S463 PolarHBondContact O-N 3.36Å |
| 460 | V | 95 | Very high | 92.7 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -54.3 | 174.7 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | W60 T132 M133 I456 R457 A462 S463 F464 | W60-V460 HydrophobicContact CH2-CG1 4.37Å; W60-V460 HydrophobicContact CH2-CG2 4Å; W60-V460 HydrophobicContact CZ2-CG2 4.33Å; T132-V460 HydrophobicContact CG2-CG1 3.92Å; T132-V460 HydrophobicContact CG2-CG2 4.32Å; M133-V460 HydrophobicContact CG-CB 4.28Å; M133-V460 HydrophobicContact CG-CG1 3.78Å; I456-V460 HydrophobicContact CG2-CG2 4.08Å; I456-V460 WeakPolarHBondContact O-CG2 3.42Å; I456-V460 PolarHBondContact O-N 3.09Å; R457-V460 PolarHBondContact O-N 2.97Å; V460-A462 VanDerWaalsContact C-N 3.31Å; V460-A462 PolarHBondContact O-N 2.96Å; V460-S463 WeakPolarHBondContact O-CB 3.29Å; V460-S463 PolarHBondContact O-N 3.25Å; V460-S463 VanDerWaalsContact O-N 3.08Å; V460-F464 HydrophobicContact CG1-CD2 4.04Å; V460-F464 HydrophobicContact CG1-CE2 3.97Å; V460-F464 VanDerWaalsContact O-CD2 3.28Å; V460-F464 WeakPolarHBondContact O-CD2 3.32Å; V460-F464 PolarHBondContact O-N 3.43Å |
| 461 | S | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.4 | -40.4 | 178.8 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | M133 R457 R458 S463 F464 F465 | M133-S461 PolarHBondContact SD-OG 3.43Å; R457-S461 PolarHBondContact O-N 2.83Å; R457-S461 PolarHBondContact O-OG 2.81Å; R457-S461 VanDerWaalsContact O-OG 3.07Å; R458-S461 PolarHBondContact O-N 2.86Å; S461-S463 VanDerWaalsContact C-N 3.34Å; S461-S463 PolarHBondContact O-N 2.95Å; S461-F464 PolarHBondContact O-N 3.46Å; S461-F465 PolarHBondContact O-N 2.81Å |
| 462 | A | 93.3 | Very high | 93 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y283 R458 K459 V460 E469 | Y283-A462 VanDerWaalsContact OH-CA 3.32Å; Y283-A462 WeakPolarHBondContact OH-CA 3.45Å; Y283-A462 WeakPolarHBondContact OH-CB 3.38Å; Y283-A462 PolarHBondContact OH-N 3.49Å; R458-A462 WeakPolarHBondContact O-CB 3.34Å; R458-A462 PolarHBondContact O-N 2.93Å; K459-A462 PolarHBondContact O-N 3.39Å; V460-A462 VanDerWaalsContact C-N 3.31Å; V460-A462 PolarHBondContact O-N 2.96Å; A462-E469 HydrophobicContact CB-CB 4.43Å; A462-E469 HydrophobicContact CB-CG 4.14Å |
| 463 | S | 93.8 | Very high | 93 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 16% | 0.161 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.9 | -38.6 | 177.3 | -162.4 | 0 | 0 | 0 | 0 | 112.3 | W60 S64 K459 V460 S461 | W60-S463 PolarHBondContact NE1-OG 3.4Å; S64-S463 PolarHBondContact OG-OG 3.43Å; S64-S463 VanDerWaalsContact OG-OG 3.06Å; K459-S463 PolarHBondContact O-N 3.36Å; V460-S463 WeakPolarHBondContact O-CB 3.29Å; V460-S463 PolarHBondContact O-N 3.25Å; V460-S463 VanDerWaalsContact O-N 3.08Å; S461-S463 VanDerWaalsContact C-N 3.34Å; S461-S463 PolarHBondContact O-N 2.95Å |
| 464 | F | 95.1 | Very high | 93 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77 | -40.3 | -179.2 | -82.1 | -102 | 0 | 0 | 0 | 112.3 | W60 Y63 S64 H125 R128 C129 V460 S461 | W60-F464 HydrophobicContact CH2-CE2 4.35Å; W60-F464 HydrophobicContact CZ2-CE2 4.39Å; Y63-F464 AromaticContact CD1-CZ 3.73Å; Y63-F464 HydrophobicContact CD1-CZ 3.73Å; Y63-F464 HydrophobicContact CE1-CE1 4.4Å; Y63-F464 AromaticContact CE1-CZ 3.62Å; Y63-F464 HydrophobicContact CE1-CZ 3.62Å; S64-F464 WeakPolarHBondContact O-CA 3.33Å; H125-F464 AromaticContact CD2-CD1 3.94Å; H125-F464 AromaticContact CE1-CD1 3.9Å; H125-F464 PolarHBondContact CE1-O 2.93Å; H125-F464 AromaticContact NE2-CD1 3.46Å; H125-F464 WeakPolarHBondContact NE2-CD1 3.17Å; H125-F464 PolarHBondContact NE2-O 3Å; R128-F464 HydrophobicContact CB-CE1 3.58Å; R128-F464 HydrophobicContact CB-CZ 4.17Å; C129-F464 HydrophobicContact CB-CB 4.11Å; C129-F464 HydrophobicContact CB-CD1 3.58Å; C129-F464 HydrophobicContact CB-CD2 4.12Å; C129-F464 HydrophobicContact CB-CE1 3.99Å; C129-F464 HydrophobicContact CB-CE2 4.45Å; C129-F464 HydrophobicContact CB-CG 3.66Å; C129-F464 HydrophobicContact CB-CZ 4.38Å; V460-F464 HydrophobicContact CG1-CD2 4.04Å; V460-F464 HydrophobicContact CG1-CE2 3.97Å; V460-F464 VanDerWaalsContact O-CD2 3.28Å; V460-F464 WeakPolarHBondContact O-CD2 3.32Å; V460-F464 PolarHBondContact O-N 3.43Å; S461-F464 PolarHBondContact O-N 3.46Å |
| 465 | F | 95.1 | Very high | 93.1 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 18% | 0.18 | 21% | 0.206 | C | C | . | . | trans | -114.2 | 65.9 | -174 | -65.8 | -91.7 | 0 | 0 | 0 | 111.7 | H125 P126 C129 L280 V284 S461 T467 Q468 E469 | H125-F465 AromaticContact CE1-CZ 3.97Å; H125-F465 AromaticContact ND1-CZ 3.84Å; P126-F465 HydrophobicContact CB-CZ 4.19Å; P126-F465 HydrophobicContact CG-CZ 4.18Å; C129-F465 HydrophobicContact CB-CE2 4.3Å; L280-F465 HydrophobicContact CD1-CD2 4.04Å; L280-F465 HydrophobicContact CD1-CE2 3.67Å; L280-F465 HydrophobicContact CD2-CE2 4.2Å; L280-F465 HydrophobicContact CG-CE2 4.33Å; V284-F465 HydrophobicContact CG2-CD1 3.89Å; V284-F465 HydrophobicContact CG2-CD2 4.1Å; V284-F465 HydrophobicContact CG2-CE1 3.93Å; V284-F465 HydrophobicContact CG2-CE2 4.18Å; V284-F465 HydrophobicContact CG2-CG 3.98Å; V284-F465 HydrophobicContact CG2-CZ 4.08Å; S461-F465 PolarHBondContact O-N 2.81Å; F465-T467 PolarHBondContact O-N 3.11Å; F465-Q468 HydrophobicContact CB-CB 4.05Å; F465-Q468 PolarHBondContact O-N 3.28Å; F465-Q468 VanDerWaalsContact O-N 3.16Å; F465-E469 PolarHBondContact O-N 3.29Å | ||
| 466 | K | 92.6 | Very high | 93 | Very high | 92 Ų | 92 | 42.2 Ų | 42.2 | 40% | 0.4 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.1 | -46.8 | -176.8 | -64 | -176.4 | -177.9 | 175.3 | 0 | 112.8 | D61 Q468 E469 E470 | D61-K466 IonicContact OD1-NZ 2.71Å; D61-K466 PolarHBondContact OD1-NZ 3.05Å; K466-Q468 VanDerWaalsContact C-N 3.3Å; K466-Q468 PolarHBondContact O-N 3.14Å; K466-E469 WeakPolarHBondContact O-CB 3.17Å; K466-E469 PolarHBondContact O-N 2.82Å; K466-E469 VanDerWaalsContact O-N 3.11Å; K466-E470 PolarHBondContact O-N 2.96Å |
| 467 | T | 92.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 38.4 Ų | 38.4 | 59% | 0.589 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.9 | -37 | 178.2 | -46.6 | 0 | 0 | 0 | 0 | 113 | F465 K471 | F465-T467 PolarHBondContact O-N 3.11Å; T467-K471 WeakPolarHBondContact O-CG 3.34Å; T467-K471 PolarHBondContact O-N 2.96Å |
| 468 | Q | 93.5 | Very high | 92.7 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.1 | -36.9 | 177 | -177.9 | 63.5 | 2.9 | 0 | 0 | 111.2 | Y283 V284 F465 K466 E470 K471 R472 | Y283-Q468 HydrophobicContact CE1-CG 4.49Å; V284-Q468 PolarHBondContact O-NE2 3.05Å; F465-Q468 HydrophobicContact CB-CB 4.05Å; F465-Q468 PolarHBondContact O-N 3.28Å; F465-Q468 VanDerWaalsContact O-N 3.16Å; K466-Q468 VanDerWaalsContact C-N 3.3Å; K466-Q468 PolarHBondContact O-N 3.14Å; Q468-E470 VanDerWaalsContact C-N 3.35Å; Q468-K471 PolarHBondContact O-N 2.97Å; Q468-R472 VanDerWaalsContact O-CG 3.25Å; Q468-R472 WeakPolarHBondContact O-CG 3.31Å; Q468-R472 PolarHBondContact O-N 3.13Å |
| 469 | E | 93.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.5 | 177.7 | 64.5 | 174.4 | 0 | 0 | 111.7 | Y283 R458 A462 F465 K466 K471 R472 I473 | Y283-E469 PolarHBondContact OH-OE2 3.46Å; R458-E469 IonicContact CZ-OE1 3.7Å; R458-E469 IonicContact NH1-OE1 2.77Å; R458-E469 IonicContact NH2-OE1 2.8Å; R458-E469 PolarHBondContact NH2-OE1 2.97Å; R458-E469 IonicContact NH2-OE2 2.62Å; A462-E469 HydrophobicContact CB-CB 4.43Å; A462-E469 HydrophobicContact CB-CG 4.14Å; F465-E469 PolarHBondContact O-N 3.29Å; K466-E469 WeakPolarHBondContact O-CB 3.17Å; K466-E469 PolarHBondContact O-N 2.82Å; K466-E469 VanDerWaalsContact O-N 3.11Å; E469-K471 PolarHBondContact O-N 3.25Å; E469-R472 WeakPolarHBondContact O-CB 3.32Å; E469-R472 PolarHBondContact O-N 3.49Å; E469-R472 VanDerWaalsContact O-N 3.15Å; E469-R472 IonicContact OE2-NE 3.41Å; E469-I473 HydrophobicContact CG-CD1 3.98Å; E469-I473 HydrophobicContact CG-CG1 4.5Å; E469-I473 VanDerWaalsContact O-CG1 3.32Å; E469-I473 WeakPolarHBondContact O-CG1 3.42Å; E469-I473 PolarHBondContact O-N 3.42Å |
| 470 | E | 92.6 | Very high | 92.2 | Very high | 110 Ų | 110 | 44.7 Ų | 44.7 | 51% | 0.514 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 174.2 | -71.8 | 169.5 | -166.7 | 0 | 0 | 112.4 | K466 Q468 R472 I473 N474 | K466-E470 PolarHBondContact O-N 2.96Å; Q468-E470 VanDerWaalsContact C-N 3.35Å; E470-R472 VanDerWaalsContact C-N 3.29Å; E470-R472 PolarHBondContact O-N 3.48Å; E470-I473 PolarHBondContact O-N 3.18Å; E470-N474 PolarHBondContact O-N 2.83Å; E470-N474 PolarHBondContact O-ND2 2.64Å; E470-N474 PolarHBondContact O-OD1 3.29Å |
| 471 | K | 93.4 | Very high | 91.8 | Very high | 120 Ų | 120 | 47.4 Ų | 47.4 | 52% | 0.522 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 174.7 | -70.4 | 176.4 | -177.6 | 178.8 | 0 | 111.9 | T467 Q468 E469 N474 F475 | T467-K471 WeakPolarHBondContact O-CG 3.34Å; T467-K471 PolarHBondContact O-N 2.96Å; Q468-K471 PolarHBondContact O-N 2.97Å; E469-K471 PolarHBondContact O-N 3.25Å; K471-N474 PolarHBondContact O-N 3.23Å; K471-F475 WeakPolarHBondContact O-CB 3.03Å; K471-F475 PolarHBondContact O-N 2.58Å |
| 472 | R | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 178 | -71.9 | 167 | 62 | 120.1 | 10.2 | 112.3 | Y283 V287 F289 D290 N291 Q468 E469 E470 L476 | Y283-R472 VanDerWaalsContact CE2-CZ 3.44Å; Y283-R472 PolarHBondContact O-NH1 3.01Å; V287-R472 HydrophobicContact CB-CG 4.21Å; V287-R472 HydrophobicContact CG1-CG 4.28Å; F289-R472 VanDerWaalsContact O-CZ 3.31Å; F289-R472 PolarHBondContact O-NH1 3.46Å; F289-R472 PolarHBondContact O-NH2 3.29Å; D290-R472 PolarHBondContact O-NH2 2.96Å; D290-R472 VanDerWaalsContact O-NH2 3.09Å; N291-R472 PolarHBondContact ND2-O 3.12Å; Q468-R472 VanDerWaalsContact O-CG 3.25Å; Q468-R472 WeakPolarHBondContact O-CG 3.31Å; Q468-R472 PolarHBondContact O-N 3.13Å; E469-R472 WeakPolarHBondContact O-CB 3.32Å; E469-R472 PolarHBondContact O-N 3.49Å; E469-R472 VanDerWaalsContact O-N 3.15Å; E469-R472 IonicContact OE2-NE 3.41Å; E470-R472 VanDerWaalsContact C-N 3.29Å; E470-R472 PolarHBondContact O-N 3.48Å; R472-L476 WeakPolarHBondContact O-CB 3.4Å; R472-L476 PolarHBondContact O-N 3.21Å |
| 473 | I | 91.3 | Very high | 91 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 175.1 | -70.8 | 169.6 | 0 | 0 | 0 | 109.9 | Q297 L298 K301 E469 E470 F475 L476 L477 | Q297-I473 HydrophobicContact CB-CD1 3.68Å; L298-I473 HydrophobicContact CB-CG2 4.29Å; L298-I473 HydrophobicContact CD1-CG2 3.81Å; K301-I473 HydrophobicContact CD-CG2 4.27Å; E469-I473 HydrophobicContact CG-CD1 3.98Å; E469-I473 HydrophobicContact CG-CG1 4.5Å; E469-I473 VanDerWaalsContact O-CG1 3.32Å; E469-I473 WeakPolarHBondContact O-CG1 3.42Å; E469-I473 PolarHBondContact O-N 3.42Å; E470-I473 PolarHBondContact O-N 3.18Å; I473-F475 VanDerWaalsContact C-N 3.34Å; I473-F475 PolarHBondContact O-N 2.82Å; I473-L476 PolarHBondContact O-N 3.49Å; I473-L476 VanDerWaalsContact O-N 3.14Å; I473-L477 WeakPolarHBondContact O-CB 3.47Å; I473-L477 PolarHBondContact O-N 3.39Å |
| 474 | N | 91.8 | Very high | 90.5 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 178 | -65.4 | -13.2 | 0 | 0 | 0 | 111.9 | K301 E470 K471 L476 L477 K478 | K301-N474 WeakPolarHBondContact CD-OD1 3.05Å; K301-N474 WeakPolarHBondContact CE-OD1 3.43Å; K301-N474 PolarHBondContact NZ-OD1 3.46Å; E470-N474 PolarHBondContact O-N 2.83Å; E470-N474 PolarHBondContact O-ND2 2.64Å; E470-N474 PolarHBondContact O-OD1 3.29Å; K471-N474 PolarHBondContact O-N 3.23Å; N474-L476 VanDerWaalsContact C-N 3.33Å; N474-L476 PolarHBondContact O-N 3.34Å; N474-L477 PolarHBondContact O-N 2.66Å; N474-K478 WeakPolarHBondContact O-CG 3.35Å; N474-K478 PolarHBondContact O-N 3.46Å |
| 475 | F | 91.8 | Very high | 89.9 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 28% | 0.281 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.7 | 173 | -97.4 | 0 | 0 | 0 | 111.8 | V287 K288 K471 I473 K479 | V287-F475 HydrophobicContact CB-CB 4.43Å; V287-F475 HydrophobicContact CB-CG 4.37Å; V287-F475 HydrophobicContact CG2-CB 4.4Å; V287-F475 HydrophobicContact CG2-CD1 4.22Å; V287-F475 HydrophobicContact CG2-CD2 4.05Å; V287-F475 HydrophobicContact CG2-CE2 4.43Å; V287-F475 HydrophobicContact CG2-CG 3.94Å; K288-F475 HydrophobicContact CD-CZ 4.41Å; K288-F475 HydrophobicContact CG-CE1 3.9Å; K288-F475 HydrophobicContact CG-CZ 3.76Å; K471-F475 WeakPolarHBondContact O-CB 3.03Å; K471-F475 PolarHBondContact O-N 2.58Å; I473-F475 VanDerWaalsContact C-N 3.34Å; I473-F475 PolarHBondContact O-N 2.82Å; F475-K479 HydrophobicContact CE1-CD 4.39Å; F475-K479 WeakPolarHBondContact O-CB 3.41Å; F475-K479 PolarHBondContact O-N 3.25Å |
| 476 | L | 89.6 | Confident | 89.3 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 179.2 | -172.3 | 62.1 | 0 | 0 | 0 | 111.6 | L298 M317 R472 I473 N474 K479 I480 | L298-L476 HydrophobicContact CD1-CD2 4.43Å; L298-L476 HydrophobicContact CD2-CD2 3.86Å; M317-L476 HydrophobicContact CE-CD1 3.8Å; M317-L476 HydrophobicContact CE-CG 4.3Å; R472-L476 WeakPolarHBondContact O-CB 3.4Å; R472-L476 PolarHBondContact O-N 3.21Å; I473-L476 PolarHBondContact O-N 3.49Å; I473-L476 VanDerWaalsContact O-N 3.14Å; N474-L476 VanDerWaalsContact C-N 3.33Å; N474-L476 PolarHBondContact O-N 3.34Å; L476-K479 WeakPolarHBondContact O-CB 3.39Å; L476-K479 PolarHBondContact O-N 3.41Å; L476-I480 HydrophobicContact CG-CD1 4.34Å; L476-I480 VanDerWaalsContact O-CG1 3.31Å; L476-I480 WeakPolarHBondContact O-CG1 3.44Å; L476-I480 PolarHBondContact O-N 3.15Å |
| 477 | L | 88.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 176.7 | -170.1 | 63.2 | 0 | 0 | 0 | 111.4 | L298 K301 A302 D305 I307 I473 N474 K479 I480 Q481 | L298-L477 HydrophobicContact CD1-CB 4.4Å; K301-L477 HydrophobicContact CG-CD2 4.36Å; A302-L477 HydrophobicContact CB-CD1 3.82Å; D305-L477 VanDerWaalsContact OD2-CD2 3.29Å; D305-L477 WeakPolarHBondContact OD2-CD2 3.5Å; I307-L477 HydrophobicContact CD1-CD1 3.66Å; I307-L477 HydrophobicContact CD1-CD2 3.67Å; I307-L477 HydrophobicContact CD1-CG 3.64Å; I473-L477 WeakPolarHBondContact O-CB 3.47Å; I473-L477 PolarHBondContact O-N 3.39Å; N474-L477 PolarHBondContact O-N 2.66Å; L477-K479 PolarHBondContact O-N 3.29Å; L477-I480 WeakPolarHBondContact O-CA 3.49Å; L477-I480 WeakPolarHBondContact O-CB 3.32Å; L477-I480 PolarHBondContact O-N 2.89Å; L477-Q481 PolarHBondContact O-N 3.4Å |
| 478 | K | 90.2 | Very high | 87.9 | Confident | 148 Ų | 148 | 61.5 Ų | 61.5 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56.4 | -38.5 | 173.9 | -72.6 | -175.5 | 178 | -169.2 | 0 | 112.4 | N474 I480 Q481 A482 | N474-K478 WeakPolarHBondContact O-CG 3.35Å; N474-K478 PolarHBondContact O-N 3.46Å; K478-I480 VanDerWaalsContact C-N 3.34Å; K478-Q481 PolarHBondContact O-N 2.76Å; K478-A482 WeakPolarHBondContact O-CB 3.48Å; K478-A482 PolarHBondContact O-N 3.45Å |
| 479 | K | 88.1 | Confident | 87 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.8 | -32.8 | 176.6 | -177.8 | 179.3 | 179.6 | -179.2 | 0 | 112.7 | F475 L476 L477 K483 | F475-K479 HydrophobicContact CE1-CD 4.39Å; F475-K479 WeakPolarHBondContact O-CB 3.41Å; F475-K479 PolarHBondContact O-N 3.25Å; L476-K479 WeakPolarHBondContact O-CB 3.39Å; L476-K479 PolarHBondContact O-N 3.41Å; L477-K479 PolarHBondContact O-N 3.29Å; K479-K483 WeakPolarHBondContact O-CG 3.33Å; K479-K483 PolarHBondContact O-N 2.93Å |
| 480 | I | 85.8 | Confident | 85.8 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.1 | -47.9 | 175 | -68.6 | 163.6 | 0 | 0 | 0 | 109.6 | I309 N313 M317 L476 L477 K478 K483 Q484 | I309-I480 HydrophobicContact CG2-CG2 4.05Å; N313-I480 HydrophobicContact CB-CG2 4.45Å; M317-I480 HydrophobicContact CE-CD1 3.74Å; M317-I480 HydrophobicContact CE-CG1 3.66Å; M317-I480 HydrophobicContact SD-CD1 4.35Å; L476-I480 HydrophobicContact CG-CD1 4.34Å; L476-I480 VanDerWaalsContact O-CG1 3.31Å; L476-I480 WeakPolarHBondContact O-CG1 3.44Å; L476-I480 PolarHBondContact O-N 3.15Å; L477-I480 WeakPolarHBondContact O-CA 3.49Å; L477-I480 WeakPolarHBondContact O-CB 3.32Å; L477-I480 PolarHBondContact O-N 2.89Å; K478-I480 VanDerWaalsContact C-N 3.34Å; I480-K483 WeakPolarHBondContact O-CB 3.36Å; I480-K483 PolarHBondContact O-N 2.8Å; I480-K483 VanDerWaalsContact O-N 3.13Å; I480-Q484 PolarHBondContact O-N 3.49Å; I480-Q484 VanDerWaalsContact O-N 3.08Å |
| 481 | Q | 86.4 | Confident | 84.4 | Confident | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.1 | -52.1 | 178 | -70.2 | 175.4 | -54 | 0 | 0 | 111.7 | I307 L477 K478 K483 Q484 D485 | I307-Q481 HydrophobicContact CD1-CG 4.04Å; I307-Q481 HydrophobicContact CG1-CG 4.4Å; I307-Q481 HydrophobicContact CG2-CG 4.15Å; L477-Q481 PolarHBondContact O-N 3.4Å; K478-Q481 PolarHBondContact O-N 2.76Å; Q481-K483 PolarHBondContact O-N 3.34Å; Q481-Q484 WeakPolarHBondContact O-CA 3.45Å; Q481-Q484 WeakPolarHBondContact O-CB 3.5Å; Q481-Q484 PolarHBondContact O-N 2.81Å; Q481-D485 PolarHBondContact O-N 3.25Å |
| 482 | A | 86.6 | Confident | 82.7 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.1 | -30.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K478 T486 | K478-A482 WeakPolarHBondContact O-CB 3.48Å; K478-A482 PolarHBondContact O-N 3.45Å; A482-T486 WeakPolarHBondContact O-CB 3.43Å; A482-T486 PolarHBondContact O-N 3.49Å; A482-T486 VanDerWaalsContact O-N 3.11Å; A482-T486 PolarHBondContact O-OG1 2.86Å |
| 483 | K | 84.6 | Confident | 81 | Confident | 110 Ų | 110 | 79 Ų | 79 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -75 | -30.6 | 174.3 | -78.8 | -176.6 | 172.8 | -164.3 | 0 | 113.3 | K479 I480 Q481 R487 | K479-K483 WeakPolarHBondContact O-CG 3.33Å; K479-K483 PolarHBondContact O-N 2.93Å; I480-K483 WeakPolarHBondContact O-CB 3.36Å; I480-K483 PolarHBondContact O-N 2.8Å; I480-K483 VanDerWaalsContact O-N 3.13Å; Q481-K483 PolarHBondContact O-N 3.34Å; K483-R487 WeakPolarHBondContact O-CG 3.46Å; K483-R487 PolarHBondContact O-N 3.49Å |
| 484 | Q | 83.5 | Confident | 79.1 | Confident | 27 Ų | 27 | 85.2 Ų | 85.2 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.3 | -52.3 | 173.2 | -72.5 | 174.5 | -62.1 | 0 | 0 | 109.6 | Q308 N313 I480 Q481 T486 R487 E488 | Q308-Q484 PolarHBondContact O-NE2 3.16Å; N313-Q484 WeakPolarHBondContact ND2-CG 3.4Å; I480-Q484 PolarHBondContact O-N 3.49Å; I480-Q484 VanDerWaalsContact O-N 3.08Å; Q481-Q484 WeakPolarHBondContact O-CA 3.45Å; Q481-Q484 WeakPolarHBondContact O-CB 3.5Å; Q481-Q484 PolarHBondContact O-N 2.81Å; Q484-T486 VanDerWaalsContact C-N 3.28Å; Q484-T486 PolarHBondContact O-N 3.34Å; Q484-R487 WeakPolarHBondContact O-CA 3.47Å; Q484-R487 WeakPolarHBondContact O-CB 3.35Å; Q484-R487 PolarHBondContact O-N 2.59Å; Q484-E488 PolarHBondContact O-N 3.31Å |
| 485 | D | 83 | Confident | 76.9 | Confident | 87 Ų | 87 | 91 Ų | 91 | 47% | 0.465 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57 | -42.2 | 178.7 | -52.6 | -19.8 | 0 | 0 | 0 | 111.7 | Q481 R487 E488 N489 | Q481-D485 PolarHBondContact O-N 3.25Å; D485-R487 VanDerWaalsContact C-N 3.31Å; D485-R487 PolarHBondContact O-N 2.84Å; D485-E488 PolarHBondContact O-N 3.33Å; D485-N489 WeakPolarHBondContact O-CB 3.49Å; D485-N489 VanDerWaalsContact O-CG 3.29Å; D485-N489 PolarHBondContact O-N 3.45Å |
| 486 | T | 83 | Confident | 74.8 | Confident | 78 Ų | 78 | 92 Ų | 92 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | A482 Q484 N490 | A482-T486 WeakPolarHBondContact O-CB 3.43Å; A482-T486 PolarHBondContact O-N 3.49Å; A482-T486 VanDerWaalsContact O-N 3.11Å; A482-T486 PolarHBondContact O-OG1 2.86Å; Q484-T486 VanDerWaalsContact C-N 3.28Å; Q484-T486 PolarHBondContact O-N 3.34Å; T486-N490 VanDerWaalsContact O-CB 3.28Å; T486-N490 WeakPolarHBondContact O-CB 3.21Å; T486-N490 PolarHBondContact O-N 3.28Å; T486-N490 PolarHBondContact O-ND2 2.93Å; T486-N490 VanDerWaalsContact O-ND2 3.1Å |
| 487 | R | 77.7 | Confident | 73.1 | Confident | 105 Ų | 105 | 97.8 Ų | 97.8 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.9 | -44.9 | 177.1 | -83.9 | -175.8 | -179.7 | 160.8 | 8 | 111.5 | N313 K483 Q484 D485 N490 I491 | N313-R487 PolarHBondContact OD1-NH1 3.21Å; K483-R487 WeakPolarHBondContact O-CG 3.46Å; K483-R487 PolarHBondContact O-N 3.49Å; Q484-R487 WeakPolarHBondContact O-CA 3.47Å; Q484-R487 WeakPolarHBondContact O-CB 3.35Å; Q484-R487 PolarHBondContact O-N 2.59Å; D485-R487 VanDerWaalsContact C-N 3.31Å; D485-R487 PolarHBondContact O-N 2.84Å; R487-N490 PolarHBondContact O-N 3.06Å; R487-I491 WeakPolarHBondContact O-CD1 3.19Å; R487-I491 WeakPolarHBondContact O-CG1 3.49Å; R487-I491 PolarHBondContact O-N 3.36Å |
| 488 | E | 77.6 | Confident | 71.2 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -51.5 | 176.9 | -73.4 | -178.2 | -179.9 | 0 | 0 | 110.3 | Q484 D485 N490 I491 F492 | Q484-E488 PolarHBondContact O-N 3.31Å; D485-E488 PolarHBondContact O-N 3.33Å; E488-N490 PolarHBondContact O-N 3.12Å; E488-I491 WeakPolarHBondContact O-CB 3.5Å; E488-I491 PolarHBondContact O-N 3.47Å; E488-F492 HydrophobicContact CB-CE2 4.24Å; E488-F492 WeakPolarHBondContact O-CD2 3.32Å; E488-F492 PolarHBondContact O-N 2.93Å |
| 489 | N | 73.8 | Confident | 69.1 | Low | 89 Ų | 89 | 106 Ų | 106 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 176.7 | -72.7 | -14 | 0 | 0 | 0 | 112.1 | D485 I491 F492 F493 | D485-N489 WeakPolarHBondContact O-CB 3.49Å; D485-N489 VanDerWaalsContact O-CG 3.29Å; D485-N489 PolarHBondContact O-N 3.45Å; N489-I491 VanDerWaalsContact C-N 3.28Å; N489-I491 PolarHBondContact O-N 2.81Å; N489-F492 PolarHBondContact O-N 2.85Å; N489-F493 HydrophobicContact CB-CE2 4.42Å; N489-F493 WeakPolarHBondContact O-CD2 3.34Å; N489-F493 PolarHBondContact O-N 3.02Å |
| 490 | N | 68.8 | Low | 67.6 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -28 | 177.2 | -73.8 | -22.8 | 0 | 0 | 0 | 113.4 | T486 R487 E488 I494 | T486-N490 VanDerWaalsContact O-CB 3.28Å; T486-N490 WeakPolarHBondContact O-CB 3.21Å; T486-N490 PolarHBondContact O-N 3.28Å; T486-N490 PolarHBondContact O-ND2 2.93Å; T486-N490 VanDerWaalsContact O-ND2 3.1Å; R487-N490 PolarHBondContact O-N 3.06Å; E488-N490 PolarHBondContact O-N 3.12Å; N490-I494 WeakPolarHBondContact O-CD1 3.33Å; N490-I494 VanDerWaalsContact O-CG1 3.32Å; N490-I494 WeakPolarHBondContact O-CG1 3.45Å |
| 491 | I | 62.3 | Low | 65.4 | Low | 117 Ų | 117 | 117.5 Ų | 117.5 | 60% | 0.6 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.5 | -42.3 | 172.4 | -69.8 | 161.9 | 0 | 0 | 0 | 109.8 | R487 E488 N489 F493 I494 | R487-I491 WeakPolarHBondContact O-CD1 3.19Å; R487-I491 WeakPolarHBondContact O-CG1 3.49Å; R487-I491 PolarHBondContact O-N 3.36Å; E488-I491 WeakPolarHBondContact O-CB 3.5Å; E488-I491 PolarHBondContact O-N 3.47Å; N489-I491 VanDerWaalsContact C-N 3.28Å; N489-I491 PolarHBondContact O-N 2.81Å; I491-F493 VanDerWaalsContact C-N 3.28Å; I491-F493 PolarHBondContact O-N 3.38Å; I491-I494 PolarHBondContact O-N 2.73Å; I491-I494 VanDerWaalsContact O-N 3.09Å |
| 492 | F | 58.5 | Low | 63.5 | Low | 157 Ų | 157 | 119.8 Ų | 119.8 | 69% | 0.689 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.2 | -28.6 | 175.5 | -70.9 | -68.4 | 0 | 0 | 0 | 113.5 | E488 N489 I494 | E488-F492 HydrophobicContact CB-CE2 4.24Å; E488-F492 WeakPolarHBondContact O-CD2 3.32Å; E488-F492 PolarHBondContact O-N 2.93Å; N489-F492 PolarHBondContact O-N 2.85Å; F492-I494 VanDerWaalsContact C-N 3.26Å; F492-I494 PolarHBondContact O-N 2.72Å |
| 493 | F | 58 | Low | 61.2 | Low | 172 Ų | 172 | 126.6 Ų | 126.6 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -3.9 | 174.2 | -73.4 | -68.1 | 0 | 0 | 0 | 114.3 | N489 I491 | N489-F493 HydrophobicContact CB-CE2 4.42Å; N489-F493 WeakPolarHBondContact O-CD2 3.34Å; N489-F493 PolarHBondContact O-N 3.02Å; I491-F493 VanDerWaalsContact C-N 3.28Å; I491-F493 PolarHBondContact O-N 3.38Å |
| 494 | I | 51.6 | Low | 59.2 | Low | 141 Ų | 141 | 126.6 Ų | 126.6 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | trans | -107.9 | 61.5 | 174.8 | -52.4 | 160.2 | 0 | 0 | 0 | 108.6 | N490 I491 F492 | N490-I494 WeakPolarHBondContact O-CD1 3.33Å; N490-I494 VanDerWaalsContact O-CG1 3.32Å; N490-I494 WeakPolarHBondContact O-CG1 3.45Å; I491-I494 PolarHBondContact O-N 2.73Å; I491-I494 VanDerWaalsContact O-N 3.09Å; F492-I494 VanDerWaalsContact C-N 3.26Å; F492-I494 PolarHBondContact O-N 2.72Å | ||
| 495 | E | 45.5 | Very low | 57 | Low | 177 Ų | 177 | 131.6 Ų | 131.6 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | trans | -114.8 | 98.6 | 160 | -154 | 167.2 | -150.1 | 0 | 0 | 106.7 | V497 | E495-V497 PolarHBondContact O-N 2.82Š| ||
| 496 | A | 48.2 | Very low | 55 | Low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | trans | -67.4 | 115.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | N498 | A496-N498 VanDerWaalsContact C-N 3.35Å; A496-N498 PolarHBondContact O-N 3.45Å | ||
| 497 | V | 52.8 | Low | 52.8 | Low | 127 Ų | 127 | 137.8 Ų | 137.8 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | -57.2 | 101.8 | 162.8 | 175.9 | 0 | 0 | 0 | 0 | 107.2 | E495 E499 | E495-V497 PolarHBondContact O-N 2.82Å; V497-E499 HydrophobicContact CG1-CG 4.1Å; V497-E499 PolarHBondContact O-N 2.71Å | ||
| 498 | N | 48.8 | Very low | 51 | Low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | -96.4 | 76.4 | 173.4 | -140.1 | 16.6 | 0 | 0 | 0 | 107.4 | A496 T500 | A496-N498 VanDerWaalsContact C-N 3.35Å; A496-N498 PolarHBondContact O-N 3.45Å; N498-T500 VanDerWaalsContact C-N 3.34Å; N498-T500 PolarHBondContact O-N 2.9Å | ||
| 499 | E | 46.5 | Very low | 49.2 | Very low | 178 Ų | 178 | 145 Ų | 145 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -72.3 | 92.4 | 167 | -93.7 | -173 | 162.6 | 0 | 0 | 109 | V497 | V497-E499 HydrophobicContact CG1-CG 4.1Å; V497-E499 PolarHBondContact O-N 2.71Å | ||
| 500 | T | 55.7 | Low | 48 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -144 | 97.5 | 155 | 27.6 | 0 | 0 | 0 | 0 | 110.5 | N498 | N498-T500 VanDerWaalsContact C-N 3.34Å; N498-T500 PolarHBondContact O-N 2.9Å | ||
| 501 | R | 40.6 | Very low | 46.9 | Very low | 236 Ų | 236 | 150.6 Ų | 150.6 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -164.1 | 107.1 | 137.5 | -110.8 | -175.4 | -116.8 | -172.7 | -1.4 | 109.2 | ||||
| 502 | V | 47.1 | Very low | 46 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | 64.9 | 104 | 98.4 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 503 | H | 37.7 | Very low | 45.3 | Very low | 193 Ų | 193 | 152.2 Ų | 152.2 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | -140.8 | 100 | 140 | -104.2 | -69.2 | 0 | 0 | 0 | 109.9 | ||||
| 504 | T | 43.5 | Very low | 44.5 | Very low | 110 Ų | 110 | 151 Ų | 151 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 124.6 | 145.9 | 9.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 505 | N | 37.3 | Very low | 44 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | 175 | 126.9 | 125.3 | -93.7 | -9 | 0 | 0 | 0 | 112.6 | |||||
| 506 | Q | 40.3 | Very low | 43.9 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | 45.8 | 115 | 135.9 | -79.2 | 162.2 | -42.2 | 0 | 0 | 119.8 | ||||
| 507 | N | 37.3 | Very low | 43.6 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | 163.2 | 141.3 | 94.1 | -99.6 | -13.9 | 0 | 0 | 0 | 114.1 | |||||
| 508 | V | 38.9 | Very low | 42.8 | Very low | 131 Ų | 131 | 157 Ų | 157 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 75.6 | 118.4 | 146.6 | -179.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 509 | I | 39.8 | Very low | 42.2 | Very low | 235 Ų | 235 | 158 Ų | 158 | 100% | 1.205 | 81% | 0.805 | S | S | * | * | cis | -138.7 | 0 | 33.1 | -65.4 | 175.5 | 0 | 0 | 0 | 110 |
Retrieved 509 of 509 residues in 1463.6 ms
(Link to these results)