| 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 | 51 | Low | 45.8 | Very low | 245 Ų | 245 | 190.6 Ų | 190.6 | 100% | 1.207 | 91% | 0.906 | S | S | * | * | 0 | 113.6 | 0 | -74.6 | 174.1 | -169.8 | 0 | 0 | 108.7 | |||||
| 2 | R | 42.7 | Very low | 46.2 | Very low | 249 Ų | 249 | 186.9 Ų | 186.9 | 94% | 0.94 | 89% | 0.893 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 119.7 | -179.8 | -70.4 | 177.6 | -177.7 | 146.2 | 0.1 | 109.2 | ||
| 3 | R | 49 | Very low | 46.2 | Very low | 252 Ų | 252 | 181.1 Ų | 181.1 | 95% | 0.951 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 120.2 | 167.5 | -66.3 | -172.4 | -162.4 | -177.1 | 5.4 | 108.2 | ||
| 4 | M | 44.4 | Very low | 46.4 | Very low | 184 Ų | 184 | 182 Ų | 182 | 91% | 0.906 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 132.6 | 176.7 | -72 | -138.7 | -100.1 | 0 | 0 | 110.5 | ||
| 5 | A | 47.6 | Very low | 46.4 | Very low | 83 Ų | 83 | 181.5 Ų | 181.5 | 69% | 0.686 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 125.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K7 | A5-K7 VanDerWaalsContact C-N 3.33Å; A5-K7 PolarHBondContact O-N 3.43Å |
| 6 | L | 45.7 | Very low | 46.1 | Very low | 183 Ų | 183 | 174.5 Ų | 174.5 | 96% | 0.958 | 86% | 0.863 | S | S | * | * | trans | -69.1 | 87.8 | 169.8 | -79.8 | 155 | 0 | 0 | 0 | 109.3 | ||||
| 7 | K | 45.4 | Very low | 45.8 | Very low | 186 Ų | 186 | 177.3 Ų | 177.3 | 81% | 0.809 | 86% | 0.863 | S | S | * | * | trans | -108.7 | 71 | 168.7 | -72.3 | -172.4 | 177.2 | -174.9 | 0 | 110.2 | A5 | A5-K7 VanDerWaalsContact C-N 3.33Å; A5-K7 PolarHBondContact O-N 3.43Å | ||
| 8 | K | 47.6 | Very low | 45.7 | Very low | 205 Ų | 205 | 175.1 Ų | 175.1 | 89% | 0.891 | 86% | 0.855 | S | S | * | * | trans | -160.4 | 76.1 | 161.7 | -67.3 | -158.7 | -179.6 | -176.7 | 0 | 110.7 | ||||
| 9 | L | 39.2 | Very low | 45.7 | Very low | 181 Ų | 181 | 173.3 Ų | 173.3 | 95% | 0.948 | 85% | 0.849 | S | S | * | * | trans | -88.4 | 112.5 | 156.1 | -137.9 | 80.3 | 0 | 0 | 0 | 107 | ||||
| 10 | K | 48.1 | Very low | 45.7 | Very low | 191 Ų | 191 | 169.3 Ų | 169.3 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74 | 123.7 | -173.6 | -162.5 | 165.3 | 178.7 | 172.1 | 0 | 108.1 | I12 | K10-I12 PolarHBondContact O-N 3.42Š|
| 11 | V | 43.7 | Very low | 45.6 | Very low | 138 Ų | 138 | 166.5 Ų | 166.5 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 119.4 | 173.9 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 12 | I | 49.8 | Very low | 45.4 | Very low | 146 Ų | 146 | 161 Ų | 161 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 128.3 | 172.4 | -60.4 | 174.1 | 0 | 0 | 0 | 107.1 | K10 | K10-I12 PolarHBondContact O-N 3.42Š|
| 13 | P | 46.1 | Very low | 45.5 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.9 | -179.8 | -18.9 | 31 | 0 | 0 | 0 | 112.5 | E15 | P13-E15 VanDerWaalsContact C-N 3.33Å; P13-E15 PolarHBondContact O-N 3.27Å |
| 14 | K | 49.3 | Very low | 45.6 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -87.3 | 26.4 | -174 | -79.7 | -170.4 | 172.4 | -174.7 | 0 | 114.8 | ||
| 15 | E | 46 | Very low | 46 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -119.6 | 101 | 177.4 | -100 | 69.9 | -147.6 | 0 | 0 | 109.8 | P13 | P13-E15 VanDerWaalsContact C-N 3.33Å; P13-E15 PolarHBondContact O-N 3.27Å | ||
| 16 | G | 42 | Very low | 46.2 | Very low | 69 Ų | 69 | 154 Ų | 154 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 142.6 | 79 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L18 | G16-L18 PolarHBondContact O-N 3.12Š| ||
| 17 | Y | 40.6 | Very low | 46.5 | Very low | 222 Ų | 222 | 152.4 Ų | 152.4 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | trans | -56.6 | 106.4 | 173.6 | -69.7 | -95.9 | 0 | 0 | 0 | 110.5 | ||||
| 18 | L | 44.7 | Very low | 46.7 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -132.3 | 79.6 | 149 | -84 | 172.2 | 0 | 0 | 0 | 106.3 | G16 L20 | G16-L18 PolarHBondContact O-N 3.12Å; L18-L20 PolarHBondContact O-N 3.43Å | ||
| 19 | L | 45.2 | Very low | 46.7 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -68.4 | 83 | 156.3 | -91.1 | 160.2 | 0 | 0 | 0 | 106.3 | L21 | L19-L21 HydrophobicContact CD2-CD1 4.22Å; L19-L21 PolarHBondContact O-N 3.42Å | ||
| 20 | L | 45.3 | Very low | 47.2 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 49% | 0.487 | 75% | 0.754 | S | S | . | * | trans | -75.2 | 79 | 161.2 | -78.4 | 163.4 | 0 | 0 | 0 | 107 | L18 | L18-L20 PolarHBondContact O-N 3.43Š| ||
| 21 | L | 43.3 | Very low | 47.1 | Very low | 111 Ų | 111 | 147 Ų | 147 | 58% | 0.581 | 76% | 0.755 | S | S | * | * | trans | -137 | 65.5 | 163.3 | -69.9 | 177.3 | 0 | 0 | 0 | 107.2 | L19 F23 | L19-L21 HydrophobicContact CD2-CD1 4.22Å; L19-L21 PolarHBondContact O-N 3.42Å; L21-F23 HydrophobicContact CB-CD2 4.21Å; L21-F23 HydrophobicContact CB-CE2 4.2Å; L21-F23 HydrophobicContact CD1-CE2 4.29Å; L21-F23 HydrophobicContact CD2-CD2 4.4Å; L21-F23 HydrophobicContact CD2-CE2 3.69Å; L21-F23 HydrophobicContact CD2-CZ 4.13Å; L21-F23 HydrophobicContact CG-CE2 4.27Å; L21-F23 PolarHBondContact O-N 3.28Å | ||
| 22 | D | 48.4 | Very low | 47 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | -80 | 86.8 | 153.4 | -65 | -18.8 | 0 | 0 | 0 | 105.1 | D24 | D22-D24 PolarHBondContact O-N 3.35Å; D22-D24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | F | 44.1 | Very low | 46.7 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -69.7 | 95.7 | 152.7 | -71.9 | -82.5 | 0 | 0 | 0 | 104.3 | L21 D25 | L21-F23 HydrophobicContact CB-CD2 4.21Å; L21-F23 HydrophobicContact CB-CE2 4.2Å; L21-F23 HydrophobicContact CD1-CE2 4.29Å; L21-F23 HydrophobicContact CD2-CD2 4.4Å; L21-F23 HydrophobicContact CD2-CE2 3.69Å; L21-F23 HydrophobicContact CD2-CZ 4.13Å; L21-F23 HydrophobicContact CG-CE2 4.27Å; L21-F23 PolarHBondContact O-N 3.28Å; F23-D25 PolarHBondContact O-N 3.3Å; F23-D25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | D | 50.6 | Low | 46.4 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -54.9 | 121.4 | 167.8 | -105.8 | -23.9 | 0 | 0 | 0 | 107 | D22 E26 | D22-D24 PolarHBondContact O-N 3.35Å; D22-D24 VanDerWaalsContact O-N 3.15Å; D24-E26 PolarHBondContact O-N 3.06Å | ||
| 25 | D | 53.7 | Low | 45.9 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -51.4 | 121.5 | -173.6 | -68 | -58 | 0 | 0 | 0 | 112.6 | F23 D27 | F23-D25 PolarHBondContact O-N 3.3Å; F23-D25 VanDerWaalsContact O-N 3.16Å; D25-D27 PolarHBondContact O-N 3.45Å | ||
| 26 | E | 51.4 | Low | 45.5 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -72.4 | 104.4 | 145.5 | -77.3 | -91.7 | 162.5 | 0 | 0 | 106 | D24 D28 | D24-E26 PolarHBondContact O-N 3.06Å; E26-D28 PolarHBondContact O-N 3.02Å | ||
| 27 | D | 51.2 | Low | 45.1 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 20.6 | 65.9 | 149.5 | -62.3 | -38.2 | 0 | 0 | 0 | 117.3 | D25 | D25-D27 PolarHBondContact O-N 3.45Š| ||
| 28 | D | 50.8 | Low | 45.4 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -108 | 99.5 | 163.2 | -89.3 | -25.9 | 0 | 0 | 0 | 109.1 | E26 I30 | E26-D28 PolarHBondContact O-N 3.02Å; D28-I30 VanDerWaalsContact C-N 3.29Å; D28-I30 PolarHBondContact O-N 3.36Å | ||
| 29 | D | 46.7 | Very low | 45.1 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -52.8 | 84.2 | 168.4 | -77.1 | -45.5 | 0 | 0 | 0 | 111.3 | K31 | D29-K31 VanDerWaalsContact C-N 3.3Å; D29-K31 PolarHBondContact O-N 2.95Å | ||
| 30 | I | 50 | Low | 44.9 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -77.8 | 88.2 | 169 | -53.1 | 176.6 | 0 | 0 | 0 | 107.8 | D28 V32 | D28-I30 VanDerWaalsContact C-N 3.29Å; D28-I30 PolarHBondContact O-N 3.36Å; I30-V32 HydrophobicContact CG2-CG2 4.26Å; I30-V32 PolarHBondContact O-N 2.94Å | ||
| 31 | K | 45.9 | Very low | 44.9 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -54.6 | 97.5 | 159.4 | -105.4 | -172.9 | 175 | -170.3 | 0 | 108.9 | D29 S33 | D29-K31 VanDerWaalsContact C-N 3.3Å; D29-K31 PolarHBondContact O-N 2.95Å; K31-S33 PolarHBondContact O-N 3.19Å; K31-S33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | V | 42.9 | Very low | 45 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -75.8 | 100.1 | 164.2 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 4.26Å; I30-V32 PolarHBondContact O-N 2.94Å; V32-E34 PolarHBondContact O-N 2.93Å | ||
| 33 | S | 41.8 | Very low | 44.7 | Very low | 98 Ų | 98 | 151.2 Ų | 151.2 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -59.6 | 118.7 | 169 | -39.3 | 0 | 0 | 0 | 0 | 109.5 | K31 E35 | K31-S33 PolarHBondContact O-N 3.19Å; K31-S33 VanDerWaalsContact O-N 3.14Å; S33-E35 PolarHBondContact O-N 3.38Å | ||
| 34 | E | 41 | Very low | 44.4 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -70.4 | 76.5 | 170 | -173.5 | -179.6 | -179.7 | 0 | 0 | 109.4 | V32 | V32-E34 PolarHBondContact O-N 2.93Š| ||
| 35 | E | 38 | Very low | 44.2 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -157.7 | 70.8 | 177.9 | -125.5 | 177 | -161.9 | 0 | 0 | 111.8 | S33 | S33-E35 PolarHBondContact O-N 3.38Š| ||
| 36 | A | 36.9 | Very low | 43.8 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -172.8 | 67.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | L | 35.4 | Very low | 43.5 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 97% | 0.974 | 82% | 0.815 | S | S | * | * | trans | -107.4 | 78.5 | 158.6 | -70.6 | 179.7 | 0 | 0 | 0 | 108.6 | ||||
| 38 | S | 46 | Very low | 42.9 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 69% | 0.692 | 82% | 0.815 | S | S | * | * | trans | -150.7 | 117.2 | 163.2 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 39 | E | 38.5 | Very low | 42.6 | Very low | 191 Ų | 191 | 151.9 Ų | 151.9 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | 62.8 | 83.9 | 153.4 | -65.9 | -177.9 | 138.7 | 0 | 0 | 117.9 | ||||
| 40 | V | 42 | Very low | 42.4 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -123 | 104.6 | 145 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | S42 | V40-S42 PolarHBondContact O-N 3.22Š| ||
| 41 | K | 44.5 | Very low | 42.2 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -64.1 | 113.7 | 169.7 | -167.5 | 172.2 | -173.3 | 173.6 | 0 | 108.6 | ||||
| 42 | S | 46 | Very low | 41.8 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | trans | -71 | 137.7 | 175.3 | 37.9 | 0 | 0 | 0 | 0 | 111.6 | V40 | V40-S42 PolarHBondContact O-N 3.22Š| ||
| 43 | P | 42 | Very low | 41.8 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -105.5 | 136.7 | 151.9 | 24.8 | -9.1 | 0 | 0 | 0 | 110.3 | ||||
| 44 | A | 36.7 | Very low | 41.5 | Very low | 97 Ų | 97 | 152 Ų | 152 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -53.3 | 144.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 45 | F | 46.7 | Very low | 41.2 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -130.6 | 125.2 | 157.1 | -103.8 | -87.2 | 0 | 0 | 0 | 110.3 | ||||
| 46 | D | 44.6 | Very low | 41.5 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | trans | -79.5 | 135.2 | 177.3 | -96.1 | -55.6 | 0 | 0 | 0 | 112.1 | ||||
| 47 | K | 46.4 | Very low | 41.8 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | 52.6 | 138.8 | 135.4 | -58.8 | 178.6 | -173.7 | 172.2 | 0 | 122.9 | ||||
| 48 | N | 38.3 | Very low | 41.9 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | 86 | 140.4 | 160.8 | 85.4 | 31 | 0 | 0 | 0 | 114.6 | ||||
| 49 | E | 43.9 | Very low | 42.2 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | cis | -142.2 | 129 | 21.4 | -74.4 | 171.6 | 132.6 | 0 | 0 | 112 | ||||
| 50 | N | 43.3 | Very low | 42.4 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | 40.8 | 84.8 | 120.5 | -144.2 | 13.6 | 0 | 0 | 0 | 120.7 | |||||
| 51 | I | 45.6 | Very low | 42.8 | Very low | 161 Ų | 161 | 147 Ų | 147 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 115.3 | 146.9 | -54.4 | -179.6 | 0 | 0 | 0 | 109 | ||||
| 52 | S | 38.5 | Very low | 42.6 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -105.4 | 152.1 | 157.2 | -72.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 53 | P | 41.7 | Very low | 42.6 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | -139 | 149.5 | 95.7 | 24.3 | -4.4 | 0 | 0 | 0 | 115.9 | |||||
| 54 | Q | 35.5 | Very low | 42.9 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -14.6 | 152 | 145.3 | -78.9 | 172.3 | -91.3 | 0 | 0 | 116.2 | ||||
| 55 | A | 35.7 | Very low | 43.4 | Very low | 78 Ų | 78 | 146.6 Ų | 146.6 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | cis | -166.4 | 155.5 | 14.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 56 | E | 44.1 | Very low | 43.3 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -179 | 89.3 | 145.7 | -75.3 | -48.4 | 145.6 | 0 | 0 | 103.5 | ||||
| 57 | A | 42.2 | Very low | 43.4 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | 62.2 | 99.9 | 100 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 58 | D | 38.2 | Very low | 43.3 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 32.8 | 117.9 | 138.8 | -54.1 | -23.3 | 0 | 0 | 0 | 118.9 | ||||
| 59 | E | 52 | Low | 43.5 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | -166 | 107.2 | 121.2 | -67.7 | -152.6 | 163 | 0 | 0 | 106.4 | |||||
| 60 | D | 42.4 | Very low | 43.2 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | 67.2 | 105.3 | 106.7 | -168.1 | 23.2 | 0 | 0 | 0 | 113.9 | |||||
| 61 | M | 50.5 | Low | 43.4 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | 179.4 | 62.1 | 145.1 | -76.2 | -31 | -103.2 | 0 | 0 | 107.2 | ||||
| 62 | G | 41.5 | Very low | 43.4 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -99.1 | -5.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 63 | D | 45.5 | Very low | 43.3 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -128.5 | 67.7 | -164.4 | -72.7 | -21.3 | 0 | 0 | 0 | 112.6 | ||||
| 64 | E | 47 | Very low | 43.3 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -155.4 | 38.7 | 165.3 | -145.9 | 178.9 | 178.2 | 0 | 0 | 115.7 | ||
| 65 | V | 48.3 | Very low | 43.9 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -133.1 | -0.9 | 171.3 | -67.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 66 | D | 43.8 | Very low | 44.4 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -106.7 | 5.1 | -175.2 | -104.2 | -1.2 | 0 | 0 | 0 | 115.5 | ||
| 67 | S | 48.2 | Very low | 44.6 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -110.1 | 3.9 | -171.3 | 65.2 | 0 | 0 | 0 | 0 | 117.2 | ||
| 68 | M | 44.3 | Very low | 44.4 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -121.1 | 7.6 | 178.4 | -65.6 | -167.4 | 93.6 | 0 | 0 | 115.3 | D70 | M68-D70 PolarHBondContact O-N 2.96Š|
| 69 | L | 42.1 | Very low | 44.7 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -91.4 | 49.9 | 168.2 | -118.2 | 159.2 | 0 | 0 | 0 | 110.3 | ||||
| 70 | D | 37.2 | Very low | 44.3 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | -134.2 | 137.2 | 171.7 | -173.4 | 26.9 | 0 | 0 | 0 | 108.3 | M68 | M68-D70 PolarHBondContact O-N 2.96Š| ||
| 71 | K | 47.9 | Very low | 44.3 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | 87.8 | 60.6 | 178.6 | -47.1 | 172.6 | -170.9 | 178.7 | 0 | 117.5 | ||||
| 72 | S | 44.4 | Very low | 44 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -135.5 | 81.3 | 131.8 | 69.6 | 0 | 0 | 0 | 0 | 108.5 | V74 | S72-V74 PolarHBondContact O-N 3.31Å; S72-V74 VanDerWaalsContact O-N 3.08Å | ||
| 73 | E | 38 | Very low | 44.1 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -52.6 | 105.2 | 168.2 | -166.8 | 170.6 | -159.1 | 0 | 0 | 108.8 | N75 | E73-N75 VanDerWaalsContact C-N 3.32Å; E73-N75 PolarHBondContact O-N 3.42Å | ||
| 74 | V | 41.6 | Very low | 43.9 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | trans | -73.6 | 93.5 | 172.5 | -171.3 | 0 | 0 | 0 | 0 | 107 | S72 Y76 | S72-V74 PolarHBondContact O-N 3.31Å; S72-V74 VanDerWaalsContact O-N 3.08Å; V74-Y76 HydrophobicContact CB-CD2 4.4Å; V74-Y76 HydrophobicContact CB-CE2 4.02Å; V74-Y76 HydrophobicContact CG1-CD2 3.68Å; V74-Y76 HydrophobicContact CG1-CE1 4.17Å; V74-Y76 HydrophobicContact CG1-CE2 3.18Å; V74-Y76 HydrophobicContact CG1-CG 4.37Å; V74-Y76 VanDerWaalsContact CG1-CZ 3.44Å; V74-Y76 PolarHBondContact O-N 3.01Å; V74-Y76 VanDerWaalsContact O-N 3.13Å | ||
| 75 | N | 47.6 | Very low | 43.9 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -77.9 | 92.1 | 177 | -132 | -30.9 | 0 | 0 | 0 | 108.7 | E73 P77 | E73-N75 VanDerWaalsContact C-N 3.32Å; E73-N75 PolarHBondContact O-N 3.42Å; N75-P77 WeakPolarHBondContact O-CD 3.37Å | ||
| 76 | Y | 45.8 | Very low | 43.5 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -83.3 | 119.2 | 166.7 | -68.9 | -76.5 | 0 | 0 | 0 | 108.5 | V74 A78 | V74-Y76 HydrophobicContact CB-CD2 4.4Å; V74-Y76 HydrophobicContact CB-CE2 4.02Å; V74-Y76 HydrophobicContact CG1-CD2 3.68Å; V74-Y76 HydrophobicContact CG1-CE1 4.17Å; V74-Y76 HydrophobicContact CG1-CE2 3.18Å; V74-Y76 HydrophobicContact CG1-CG 4.37Å; V74-Y76 VanDerWaalsContact CG1-CZ 3.44Å; V74-Y76 PolarHBondContact O-N 3.01Å; V74-Y76 VanDerWaalsContact O-N 3.13Å; Y76-A78 PolarHBondContact O-N 3.15Å | ||
| 77 | P | 48 | Very low | 43.6 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -70.2 | 102 | 174.2 | 26.6 | -29.5 | 0 | 0 | 0 | 109.3 | N75 I79 | N75-P77 WeakPolarHBondContact O-CD 3.37Å; P77-I79 PolarHBondContact O-N 2.77Å | ||
| 78 | A | 38.7 | Very low | 43.2 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -75.2 | 94.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y76 | Y76-A78 PolarHBondContact O-N 3.15Š| ||
| 79 | I | 44.8 | Very low | 43 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -110.9 | 125.5 | 168.8 | -75.9 | 175 | 0 | 0 | 0 | 109.5 | P77 | P77-I79 PolarHBondContact O-N 2.77Š| ||
| 80 | G | 42 | Very low | 43.3 | Very low | 63 Ų | 63 | 142.3 Ų | 142.3 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -59 | 154 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D82 | G80-D82 PolarHBondContact O-N 2.95Š| ||
| 81 | K | 43.2 | Very low | 43.7 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | trans | -53.1 | 114.5 | 162.1 | -60.5 | 173 | 179.4 | 178.6 | 0 | 108.5 | ||||
| 82 | D | 43.4 | Very low | 44 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -139.3 | 139.6 | 150.8 | -138.8 | -12 | 0 | 0 | 0 | 109.5 | G80 | G80-D82 PolarHBondContact O-N 2.95Š| ||
| 83 | E | 43.7 | Very low | 44.7 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -79 | 146.4 | -161.7 | -62.7 | 177.9 | 150.9 | 0 | 0 | 112.4 | ||||
| 84 | N | 42.5 | Very low | 45.9 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 66.5 | 103.9 | 145.9 | -127.1 | -36.7 | 0 | 0 | 0 | 117.7 | ||||
| 85 | I | 46.4 | Very low | 47.3 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | -163.8 | 107.6 | 126 | -83.4 | 136.2 | 0 | 0 | 0 | 106.2 | |||||
| 86 | S | 40.2 | Very low | 48.7 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -78 | 139.8 | 156.9 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 87 | P | 45.1 | Very low | 50.4 | Low | 101 Ų | 101 | 132.9 Ų | 132.9 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | -143.5 | 136.6 | 115.7 | 24.9 | -4.3 | 0 | 0 | 0 | 114.1 | |||||
| 88 | Q | 41.3 | Very low | 52.1 | Low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | trans | 75 | 94.6 | 140.3 | -64.5 | -175.1 | 6.9 | 0 | 0 | 118.2 | K90 | Q88-K90 PolarHBondContact O-N 2.92Å; Q88-K90 VanDerWaalsContact O-N 3.08Å | ||
| 89 | V | 39.9 | Very low | 54.4 | Low | 139 Ų | 139 | 131 Ų | 131 | 84% | 0.842 | 71% | 0.713 | S | S | * | * | trans | -32.7 | 104.6 | 144.9 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 90 | K | 47.5 | Very low | 56.4 | Low | 180 Ų | 180 | 124.8 Ų | 124.8 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -138 | 96 | 164.1 | -90 | -172.8 | 176.5 | 178.8 | 0 | 108.2 | Q88 | Q88-K90 PolarHBondContact O-N 2.92Å; Q88-K90 VanDerWaalsContact O-N 3.08Å | ||
| 91 | G | 46.7 | Very low | 58.7 | Low | 61 Ų | 61 | 123.6 Ų | 123.6 | 63% | 0.629 | 67% | 0.67 | S | S | * | * | trans | 53.9 | 85.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | E93 | G91-E93 PolarHBondContact O-N 3.38Š| ||
| 92 | D | 54.4 | Low | 60.9 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 27.5 | -179.2 | -63 | -36.1 | 0 | 0 | 0 | 115.7 | ||
| 93 | E | 57.4 | Low | 63.4 | Low | 175 Ų | 175 | 116 Ų | 116 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -83.5 | -34.6 | -179.7 | -69.4 | -176.4 | 179.3 | 0 | 0 | 112.7 | G91 G96 H97 | G91-E93 PolarHBondContact O-N 3.38Å; E93-G96 PolarHBondContact O-N 3.23Å; E93-H97 PolarHBondContact O-N 3.35Å |
| 94 | D | 64.7 | Low | 65.7 | Low | 128 Ų | 128 | 113.2 Ų | 113.2 | 68% | 0.684 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.6 | -39.9 | -176.9 | -164.7 | 25.2 | 0 | 0 | 0 | 112.4 | G96 H97 E98 | D94-G96 VanDerWaalsContact C-N 3.25Å; D94-G96 PolarHBondContact O-N 3.36Å; D94-H97 PolarHBondContact O-N 3.01Å; D94-E98 PolarHBondContact O-N 3.41Å |
| 95 | M | 70.1 | Confident | 68.1 | Low | 129 Ų | 129 | 112.7 Ų | 112.7 | 64% | 0.635 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.4 | -36.2 | 172.9 | -71.8 | -69.6 | -168.5 | 0 | 0 | 111.8 | V99 | M95-V99 WeakPolarHBondContact O-CB 3.38Å; M95-V99 VanDerWaalsContact O-CG2 3.25Å; M95-V99 WeakPolarHBondContact O-CG2 3.4Å; M95-V99 PolarHBondContact O-N 3.01Å |
| 96 | G | 77.3 | Confident | 70.4 | Confident | 47 Ų | 47 | 107.8 Ų | 107.8 | 49% | 0.485 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.2 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E93 D94 G100 | E93-G96 PolarHBondContact O-N 3.23Å; D94-G96 VanDerWaalsContact C-N 3.25Å; D94-G96 PolarHBondContact O-N 3.36Å; G96-G100 PolarHBondContact O-N 3.45Å |
| 97 | H | 81.7 | Confident | 73 | Confident | 143 Ų | 143 | 104.4 Ų | 104.4 | 66% | 0.662 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.7 | -41.3 | 177 | -174.6 | -88.9 | 0 | 0 | 0 | 112 | E93 D94 G100 S101 | E93-H97 PolarHBondContact O-N 3.35Å; D94-H97 PolarHBondContact O-N 3.01Å; H97-G100 PolarHBondContact O-N 3.02Å; H97-S101 WeakPolarHBondContact O-CB 3.37Å; H97-S101 PolarHBondContact O-N 2.62Å |
| 98 | E | 83.8 | Confident | 75.4 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.1 | -51.4 | 175 | -177.3 | 173.4 | -172.6 | 0 | 0 | 111.5 | D94 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.41Å; E98-G100 VanDerWaalsContact C-N 3.31Å; E98-G100 PolarHBondContact O-N 2.96Å; E98-S101 PolarHBondContact O-N 3.22Å; E98-S101 VanDerWaalsContact O-N 3.15Å; E98-S101 PolarHBondContact O-OG 3.32Å; E98-M102 HydrophobicContact CG-CE 3.64Å; E98-M102 HydrophobicContact CG-SD 4.36Å; E98-M102 WeakPolarHBondContact O-CG 3.34Å; E98-M102 PolarHBondContact O-N 3.04Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å |
| 99 | V | 86.3 | Confident | 78 | Confident | 80 Ų | 80 | 101.1 Ų | 101.1 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.9 | -42.2 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CB 3.38Å; M95-V99 VanDerWaalsContact O-CG2 3.25Å; M95-V99 WeakPolarHBondContact O-CG2 3.4Å; M95-V99 PolarHBondContact O-N 3.01Å; V99-S101 PolarHBondContact O-N 3.49Å; V99-M102 PolarHBondContact O-N 3.46Å; V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 HydrophobicContact CG1-CG 4.35Å; V99-L103 WeakPolarHBondContact O-CB 3.38Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.49Å; V99-L103 PolarHBondContact O-N 3.2Å |
| 100 | G | 87.5 | Confident | 80.7 | Confident | 28 Ų | 28 | 99 Ų | 99 | 29% | 0.289 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57 | -49 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G96 H97 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 3.45Å; H97-G100 PolarHBondContact O-N 3.02Å; E98-G100 VanDerWaalsContact C-N 3.31Å; E98-G100 PolarHBondContact O-N 2.96Å; G100-M102 VanDerWaalsContact C-N 3.3Å; G100-M102 PolarHBondContact O-N 2.97Å; G100-L103 PolarHBondContact O-N 3.14Å; G100-D104 PolarHBondContact O-N 2.96Å |
| 101 | S | 89.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 97.7 Ų | 97.7 | 27% | 0.273 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 178.3 | 81.3 | 0 | 0 | 0 | 0 | 113.5 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.37Å; H97-S101 PolarHBondContact O-N 2.62Å; E98-S101 PolarHBondContact O-N 3.22Å; E98-S101 VanDerWaalsContact O-N 3.15Å; E98-S101 PolarHBondContact O-OG 3.32Å; V99-S101 PolarHBondContact O-N 3.49Å; S101-K105 WeakPolarHBondContact O-CD 3.34Å; S101-K105 VanDerWaalsContact O-CG 3.26Å; S101-K105 WeakPolarHBondContact O-CG 3.48Å; S101-K105 PolarHBondContact O-N 3.01Å |
| 102 | M | 91 | Very high | 85.5 | Confident | 102 Ų | 102 | 100 Ų | 100 | 50% | 0.502 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71 | -39.7 | 175 | -71.1 | -178.5 | 179.6 | 0 | 0 | 111.4 | E98 V99 G100 S106 | E98-M102 HydrophobicContact CG-CE 3.64Å; E98-M102 HydrophobicContact CG-SD 4.36Å; E98-M102 WeakPolarHBondContact O-CG 3.34Å; E98-M102 PolarHBondContact O-N 3.04Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å; V99-M102 PolarHBondContact O-N 3.46Å; G100-M102 VanDerWaalsContact C-N 3.3Å; G100-M102 PolarHBondContact O-N 2.97Å; M102-S106 WeakPolarHBondContact O-CB 3.44Å; M102-S106 PolarHBondContact O-N 3.4Å |
| 103 | L | 94 | Very high | 87.5 | Confident | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 175.5 | -72.2 | 173.9 | 0 | 0 | 0 | 111.9 | V99 G100 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 4.03Å; V99-L103 HydrophobicContact CG1-CG 4.35Å; V99-L103 WeakPolarHBondContact O-CB 3.38Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.49Å; V99-L103 PolarHBondContact O-N 3.2Å; G100-L103 PolarHBondContact O-N 3.14Å; L103-S106 WeakPolarHBondContact O-CB 3.41Å; L103-S106 PolarHBondContact O-N 3.4Å; L103-G107 PolarHBondContact O-N 3.34Å |
| 104 | D | 92.7 | Very high | 89.5 | Confident | 118 Ų | 118 | 94.4 Ų | 94.4 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -46.3 | 176.2 | -73.8 | -17.2 | 0 | 0 | 0 | 111.2 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 2.96Å; D104-S106 PolarHBondContact O-N 3.19Å; D104-G107 PolarHBondContact O-N 2.99Å; D104-D108 PolarHBondContact O-N 3.47Å |
| 105 | K | 94.2 | Very high | 91 | Very high | 132 Ų | 132 | 91.9 Ų | 91.9 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 174.4 | -72.4 | 168.7 | -175.4 | 170.5 | 0 | 112.1 | S101 G107 D108 D109 | S101-K105 WeakPolarHBondContact O-CD 3.34Å; S101-K105 VanDerWaalsContact O-CG 3.26Å; S101-K105 WeakPolarHBondContact O-CG 3.48Å; S101-K105 PolarHBondContact O-N 3.01Å; K105-G107 VanDerWaalsContact C-N 3.34Å; K105-D108 PolarHBondContact O-N 3.27Å; K105-D109 PolarHBondContact O-N 2.75Å |
| 106 | S | 93.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 91.3 Ų | 91.3 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | M102 L103 D104 D109 I110 | M102-S106 WeakPolarHBondContact O-CB 3.44Å; M102-S106 PolarHBondContact O-N 3.4Å; L103-S106 WeakPolarHBondContact O-CB 3.41Å; L103-S106 PolarHBondContact O-N 3.4Å; D104-S106 PolarHBondContact O-N 3.19Å; S106-D109 PolarHBondContact O-N 2.93Å; S106-I110 WeakPolarHBondContact O-CB 3.49Å; S106-I110 WeakPolarHBondContact O-CD1 3.48Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 3.43Å |
| 107 | G | 94.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 95.2 Ų | 95.2 | 37% | 0.371 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.34Å; D104-G107 PolarHBondContact O-N 2.99Å; K105-G107 VanDerWaalsContact C-N 3.34Å; G107-I110 PolarHBondContact O-N 3.3Å; G107-Y111 WeakPolarHBondContact O-CB 3.22Å; G107-Y111 PolarHBondContact O-N 2.91Å |
| 108 | D | 95.6 | Very high | 94.1 | Very high | 95 Ų | 95 | 94.7 Ų | 94.7 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.5 | -84.3 | -10.5 | 0 | 0 | 0 | 112.2 | D104 K105 Y111 K112 | D104-D108 PolarHBondContact O-N 3.47Å; K105-D108 PolarHBondContact O-N 3.27Å; D108-Y111 PolarHBondContact O-N 3.44Å; D108-K112 VanDerWaalsContact O-CG 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.42Å; D108-K112 PolarHBondContact O-N 3.1Å |
| 109 | D | 96 | Very high | 94.8 | Very high | 89 Ų | 89 | 95.1 Ų | 95.1 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.3 | -36.6 | -179.7 | -71.2 | -16.2 | 0 | 0 | 0 | 112 | K105 S106 K112 T113 | K105-D109 PolarHBondContact O-N 2.75Å; S106-D109 PolarHBondContact O-N 2.93Å; D109-K112 IonicContact OD1-NZ 3.09Å; D109-K112 PolarHBondContact OD1-NZ 3Å; D109-K112 VanDerWaalsContact OD1-NZ 3.09Å; D109-T113 VanDerWaalsContact O-CB 3.32Å; D109-T113 WeakPolarHBondContact O-CB 3.41Å; D109-T113 PolarHBondContact O-N 3.47Å; D109-T113 PolarHBondContact O-OG1 2.92Å |
| 110 | I | 96.5 | Very high | 95.4 | Very high | 96 Ų | 96 | 99 Ų | 99 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 169.1 | -69.5 | 164.3 | 0 | 0 | 0 | 110 | S106 G107 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.49Å; S106-I110 WeakPolarHBondContact O-CD1 3.48Å; S106-I110 WeakPolarHBondContact O-CG1 3.49Å; S106-I110 PolarHBondContact O-N 3.43Å; G107-I110 PolarHBondContact O-N 3.3Å; I110-T113 PolarHBondContact O-N 3.49Å; I110-L114 HydrophobicContact CG2-CD1 3.91Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CB 3.46Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 2.94Å |
| 111 | Y | 97.3 | Very high | 95.9 | Very high | 151 Ų | 151 | 102.4 Ų | 102.4 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 179.9 | 178.2 | -97.7 | 0 | 0 | 0 | 112.1 | G107 D108 T113 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.22Å; G107-Y111 PolarHBondContact O-N 2.91Å; D108-Y111 PolarHBondContact O-N 3.44Å; Y111-T113 PolarHBondContact O-N 3Å; Y111-L114 PolarHBondContact O-N 2.86Å; Y111-H115 WeakPolarHBondContact O-CB 3.5Å; Y111-H115 PolarHBondContact O-N 3.27Å |
| 112 | K | 97.7 | Very high | 96.3 | Very high | 109 Ų | 109 | 105 Ų | 105 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.6 | -70.6 | 168.2 | -160.1 | 155 | 0 | 111.5 | D108 D109 L114 H115 I116 | D108-K112 VanDerWaalsContact O-CG 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.42Å; D108-K112 PolarHBondContact O-N 3.1Å; D109-K112 IonicContact OD1-NZ 3.09Å; D109-K112 PolarHBondContact OD1-NZ 3Å; D109-K112 VanDerWaalsContact OD1-NZ 3.09Å; K112-L114 PolarHBondContact O-N 3.43Å; K112-H115 PolarHBondContact O-N 3.38Å; K112-I116 WeakPolarHBondContact O-CG1 3.45Å; K112-I116 PolarHBondContact O-N 3.24Å |
| 113 | T | 97.1 | Very high | 96.7 | Very high | 93 Ų | 93 | 103.3 Ų | 103.3 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 179.2 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | D109 I110 Y111 H115 I116 K117 | D109-T113 VanDerWaalsContact O-CB 3.32Å; D109-T113 WeakPolarHBondContact O-CB 3.41Å; D109-T113 PolarHBondContact O-N 3.47Å; D109-T113 PolarHBondContact O-OG1 2.92Å; I110-T113 PolarHBondContact O-N 3.49Å; Y111-T113 PolarHBondContact O-N 3Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.06Å; T113-I116 PolarHBondContact O-N 3.2Å; T113-K117 WeakPolarHBondContact O-CB 3.47Å; T113-K117 PolarHBondContact O-N 3.44Å |
| 114 | L | 98 | Very high | 96.9 | Very high | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.1 | -73.3 | 175.8 | 0 | 0 | 0 | 112.2 | I110 Y111 K112 K117 R118 | I110-L114 HydrophobicContact CG2-CD1 3.91Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CB 3.46Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 2.94Å; Y111-L114 PolarHBondContact O-N 2.86Å; K112-L114 PolarHBondContact O-N 3.43Å; L114-K117 PolarHBondContact O-N 3.31Å; L114-R118 WeakPolarHBondContact O-CB 3.4Å; L114-R118 PolarHBondContact O-N 3.08Å |
| 115 | H | 97.6 | Very high | 97.2 | Very high | 76 Ų | 76 | 102.3 Ų | 102.3 | 35% | 0.352 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 177.1 | -169.8 | 79.9 | 0 | 0 | 0 | 111.9 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.5Å; Y111-H115 PolarHBondContact O-N 3.27Å; K112-H115 PolarHBondContact O-N 3.38Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.06Å; H115-R118 PolarHBondContact O-N 3.49Å; H115-K119 PolarHBondContact O-N 3.14Å |
| 116 | I | 98 | Very high | 97.4 | Very high | 116 Ų | 116 | 103.7 Ų | 103.7 | 60% | 0.595 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61 | -48.7 | 175.5 | -68.1 | 165.4 | 0 | 0 | 0 | 110.3 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.45Å; K112-I116 PolarHBondContact O-N 3.24Å; T113-I116 PolarHBondContact O-N 3.2Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.25Å; I116-K119 PolarHBondContact O-N 2.97Å; I116-W120 PolarHBondContact O-N 2.96Å |
| 117 | K | 98.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 107 Ų | 107 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.5 | -43 | 178.1 | -171.4 | -176.7 | -179.4 | -167.8 | 0 | 111.7 | T113 L114 W120 M121 | T113-K117 WeakPolarHBondContact O-CB 3.47Å; T113-K117 PolarHBondContact O-N 3.44Å; L114-K117 PolarHBondContact O-N 3.31Å; K117-W120 PolarHBondContact O-N 3.39Å; K117-M121 HydrophobicContact CG-SD 4.42Å; K117-M121 WeakPolarHBondContact O-CG 3.47Å; K117-M121 PolarHBondContact O-N 3.43Å |
| 118 | R | 98.2 | Very high | 97.7 | Very high | 133 Ų | 133 | 107.4 Ų | 107.4 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 175.6 | -177.6 | -172.7 | -61.4 | 149.9 | 3.2 | 111.2 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.4Å; L114-R118 PolarHBondContact O-N 3.08Å; H115-R118 PolarHBondContact O-N 3.49Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.25Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 2.85Å; R118-M121 PolarHBondContact O-N 3.49Å; R118-E122 WeakPolarHBondContact CD-OE1 3.38Å; R118-E122 HydrophobicContact CG-CG 4.37Å; R118-E122 WeakPolarHBondContact CG-OE1 3.45Å; R118-E122 WeakPolarHBondContact O-CG 3.31Å; R118-E122 PolarHBondContact O-N 3.46Å |
| 119 | K | 98.3 | Very high | 97.8 | Very high | 104 Ų | 104 | 109.2 Ų | 109.2 | 45% | 0.452 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | -180 | -78.6 | -71.3 | 166.8 | -147.4 | 0 | 112.6 | H115 I116 E122 T123 | H115-K119 PolarHBondContact O-N 3.14Å; I116-K119 PolarHBondContact O-N 2.97Å; K119-E122 IonicContact NZ-OE2 2.81Å; K119-E122 PolarHBondContact NZ-OE2 2.92Å; K119-T123 WeakPolarHBondContact O-CB 3.41Å; K119-T123 PolarHBondContact O-N 3.24Å; K119-T123 VanDerWaalsContact O-N 3.08Å; K119-T123 PolarHBondContact O-OG1 3.16Å |
| 120 | W | 97.8 | Very high | 97.9 | Very high | 162 Ų | 162 | 111.3 Ų | 111.3 | 61% | 0.614 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -49.5 | 173 | 176.9 | 82.4 | 0 | 0 | 0 | 111.6 | I116 K117 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 2.96Å; K117-W120 PolarHBondContact O-N 3.39Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 2.85Å; W120-E122 PolarHBondContact O-N 3.05Å; W120-T123 PolarHBondContact O-N 3.22Å; W120-Y124 HydrophobicContact CZ2-CD2 4.48Å; W120-Y124 WeakPolarHBondContact O-CB 3.3Å; W120-Y124 PolarHBondContact O-N 3.37Å |
| 121 | M | 98.5 | Very high | 98 | Very high | 99 Ų | 99 | 108.4 Ų | 108.4 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 177.8 | -71.3 | 179.8 | 65.2 | 0 | 0 | 112.8 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-SD 4.42Å; K117-M121 WeakPolarHBondContact O-CG 3.47Å; K117-M121 PolarHBondContact O-N 3.43Å; R118-M121 PolarHBondContact O-N 3.49Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 3.41Å; M121-Y124 PolarHBondContact O-N 3.46Å; M121-V125 WeakPolarHBondContact O-CB 3.45Å; M121-V125 WeakPolarHBondContact O-CG2 3.31Å; M121-V125 PolarHBondContact O-N 2.91Å |
| 122 | E | 98.3 | Very high | 98.1 | Very high | 93 Ų | 93 | 104.7 Ų | 104.7 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.6 | -43 | 175.6 | -76.6 | 171.8 | -171 | 0 | 0 | 111.1 | R118 K119 W120 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.38Å; R118-E122 HydrophobicContact CG-CG 4.37Å; R118-E122 WeakPolarHBondContact CG-OE1 3.45Å; R118-E122 WeakPolarHBondContact O-CG 3.31Å; R118-E122 PolarHBondContact O-N 3.46Å; K119-E122 IonicContact NZ-OE2 2.81Å; K119-E122 PolarHBondContact NZ-OE2 2.92Å; W120-E122 PolarHBondContact O-N 3.05Å; E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 PolarHBondContact O-N 3.38Å; E122-K126 VanDerWaalsContact O-N 3.16Å |
| 123 | T | 98.3 | Very high | 98.1 | Very high | 66 Ų | 66 | 102.8 Ų | 102.8 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.9 | -48.2 | 179.4 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.41Å; K119-T123 PolarHBondContact O-N 3.24Å; K119-T123 VanDerWaalsContact O-N 3.08Å; K119-T123 PolarHBondContact O-OG1 3.16Å; W120-T123 PolarHBondContact O-N 3.22Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 3.41Å; T123-V125 PolarHBondContact O-N 3.4Å; T123-K126 WeakPolarHBondContact O-CB 3.37Å; T123-K126 PolarHBondContact O-N 3.01Å; T123-E127 HydrophobicContact CG2-CG 4.4Å; T123-E127 WeakPolarHBondContact O-CG 3.5Å; T123-E127 PolarHBondContact O-N 3.17Å |
| 124 | Y | 98.2 | Very high | 98.1 | Very high | 120 Ų | 120 | 103 Ų | 103 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 178.3 | 176 | -97.2 | 0 | 0 | 0 | 112.3 | W120 M121 K126 E127 S128 | W120-Y124 HydrophobicContact CZ2-CD2 4.48Å; W120-Y124 WeakPolarHBondContact O-CB 3.3Å; W120-Y124 PolarHBondContact O-N 3.37Å; M121-Y124 PolarHBondContact O-N 3.46Å; Y124-K126 PolarHBondContact O-N 2.96Å; Y124-E127 PolarHBondContact O-N 3.31Å; Y124-S128 WeakPolarHBondContact O-CB 3.26Å; Y124-S128 PolarHBondContact O-N 3.44Å; Y124-S128 PolarHBondContact O-OG 3.31Å |
| 125 | V | 98.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 105.5 Ų | 105.5 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.45Å; M121-V125 WeakPolarHBondContact O-CG2 3.31Å; M121-V125 PolarHBondContact O-N 2.91Å; T123-V125 PolarHBondContact O-N 3.4Å; V125-S128 PolarHBondContact O-N 2.95Å; V125-F129 WeakPolarHBondContact O-CB 3.49Å; V125-F129 PolarHBondContact O-N 3.28Å |
| 126 | K | 98.3 | Very high | 98.1 | Very high | 162 Ų | 162 | 106.6 Ų | 106.6 | 70% | 0.704 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 178.7 | -177.4 | -179.9 | 179.3 | -179.6 | 0 | 112 | E122 T123 Y124 K130 | E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 PolarHBondContact O-N 3.38Å; E122-K126 VanDerWaalsContact O-N 3.16Å; T123-K126 WeakPolarHBondContact O-CB 3.37Å; T123-K126 PolarHBondContact O-N 3.01Å; Y124-K126 PolarHBondContact O-N 2.96Å; K126-K130 WeakPolarHBondContact O-CB 3.48Å; K126-K130 PolarHBondContact O-N 2.95Å |
| 127 | E | 98.2 | Very high | 98.1 | Very high | 127 Ų | 127 | 105.9 Ų | 105.9 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.7 | -42.3 | 178.9 | -71.4 | 176.2 | 171.1 | 0 | 0 | 111.6 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.4Å; T123-E127 WeakPolarHBondContact O-CG 3.5Å; T123-E127 PolarHBondContact O-N 3.17Å; Y124-E127 PolarHBondContact O-N 3.31Å; E127-F129 PolarHBondContact O-N 3.41Å; E127-K130 PolarHBondContact O-N 3.36Å; E127-G131 PolarHBondContact O-N 2.98Å |
| 128 | S | 97.5 | Very high | 98.1 | Very high | 46 Ų | 46 | 107.5 Ų | 107.5 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | Y124 V125 G131 S132 | Y124-S128 WeakPolarHBondContact O-CB 3.26Å; Y124-S128 PolarHBondContact O-N 3.44Å; Y124-S128 PolarHBondContact O-OG 3.31Å; V125-S128 PolarHBondContact O-N 2.95Å; S128-G131 PolarHBondContact O-N 2.92Å; S128-S132 WeakPolarHBondContact O-CB 3.46Å; S128-S132 PolarHBondContact O-N 3.3Å; S128-S132 PolarHBondContact O-OG 3.5Å |
| 129 | F | 97.9 | Very high | 98.1 | Very high | 133 Ų | 133 | 107.9 Ų | 107.9 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 177.8 | -169.9 | -107.7 | 0 | 0 | 0 | 111.6 | V125 E127 S132 N133 | V125-F129 WeakPolarHBondContact O-CB 3.49Å; V125-F129 PolarHBondContact O-N 3.28Å; E127-F129 PolarHBondContact O-N 3.41Å; F129-S132 PolarHBondContact O-N 2.91Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.4Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.42Å; F129-N133 VanDerWaalsContact CZ-ND2 3.34Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.34Å; F129-N133 WeakPolarHBondContact O-CB 3.37Å; F129-N133 PolarHBondContact O-N 3.43Å |
| 130 | K | 98.3 | Very high | 98 | Very high | 133 Ų | 133 | 105.9 Ų | 105.9 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.6 | -48.3 | 175.3 | -177 | -177.2 | 177.1 | -173.7 | 0 | 111.7 | K126 E127 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.48Å; K126-K130 PolarHBondContact O-N 2.95Å; E127-K130 PolarHBondContact O-N 3.36Å; K130-N133 PolarHBondContact O-N 3.31Å; K130-Q134 WeakPolarHBondContact O-CG 3.49Å; K130-Q134 PolarHBondContact O-N 2.94Å |
| 131 | G | 98.2 | Very high | 98 | Very high | 34 Ų | 34 | 103.3 Ų | 103.3 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E127 S128 Q134 K135 | E127-G131 PolarHBondContact O-N 2.98Å; S128-G131 PolarHBondContact O-N 2.92Å; G131-Q134 PolarHBondContact O-N 3.04Å; G131-K135 PolarHBondContact O-N 3.06Å |
| 132 | S | 98.1 | Very high | 98 | Very high | 74 Ų | 74 | 101.4 Ų | 101.4 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 112 | S128 F129 Q134 K135 L136 | S128-S132 WeakPolarHBondContact O-CB 3.46Å; S128-S132 PolarHBondContact O-N 3.3Å; S128-S132 PolarHBondContact O-OG 3.5Å; F129-S132 PolarHBondContact O-N 2.91Å; S132-Q134 PolarHBondContact O-N 3.43Å; S132-K135 WeakPolarHBondContact O-CB 3.38Å; S132-K135 PolarHBondContact O-N 3.39Å; S132-K135 VanDerWaalsContact O-N 3.16Å; S132-L136 PolarHBondContact O-N 2.92Å |
| 133 | N | 97.9 | Very high | 98 | Very high | 69 Ų | 69 | 100.1 Ų | 100.1 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.3 | -75.2 | -5 | 0 | 0 | 0 | 112.2 | F129 K130 K135 L136 E137 | F129-N133 WeakPolarHBondContact CD1-ND2 3.4Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.42Å; F129-N133 VanDerWaalsContact CZ-ND2 3.34Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.34Å; F129-N133 WeakPolarHBondContact O-CB 3.37Å; F129-N133 PolarHBondContact O-N 3.43Å; K130-N133 PolarHBondContact O-N 3.31Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.25Å; N133-L136 PolarHBondContact O-N 3.28Å; N133-E137 WeakPolarHBondContact O-CB 3.4Å; N133-E137 PolarHBondContact O-N 3.1Å |
| 134 | Q | 98.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 174.5 | -73.9 | 179.8 | -12.1 | 0 | 0 | 112.7 | K130 G131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CG 3.49Å; K130-Q134 PolarHBondContact O-N 2.94Å; G131-Q134 PolarHBondContact O-N 3.04Å; S132-Q134 PolarHBondContact O-N 3.43Å; Q134-R138 WeakPolarHBondContact O-CB 3.43Å; Q134-R138 VanDerWaalsContact O-CG 3.32Å; Q134-R138 WeakPolarHBondContact O-CG 3.07Å; Q134-R138 PolarHBondContact O-N 3.02Å; Q134-R138 PolarHBondContact O-NE 3.39Å |
| 135 | K | 98 | Very high | 97.9 | Very high | 152 Ų | 152 | 104.9 Ų | 104.9 | 66% | 0.661 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.5 | -44.9 | 174.2 | -170.6 | 174.3 | -178.8 | 175.8 | 0 | 110.9 | G131 S132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.06Å; S132-K135 WeakPolarHBondContact O-CB 3.38Å; S132-K135 PolarHBondContact O-N 3.39Å; S132-K135 VanDerWaalsContact O-N 3.16Å; N133-K135 VanDerWaalsContact C-N 3.3Å; N133-K135 PolarHBondContact O-N 3.25Å; K135-R138 PolarHBondContact O-N 3.44Å; K135-F139 WeakPolarHBondContact O-CB 3.17Å; K135-F139 PolarHBondContact O-N 3.35Å |
| 136 | L | 97.9 | Very high | 97.9 | Very high | 100 Ų | 100 | 105.7 Ų | 105.7 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 176.3 | -179.8 | 61.1 | 0 | 0 | 0 | 111.8 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 2.92Å; N133-L136 PolarHBondContact O-N 3.28Å; L136-R138 PolarHBondContact O-N 3.41Å; L136-F139 WeakPolarHBondContact O-CB 3.35Å; L136-F139 PolarHBondContact O-N 3.27Å; L136-C140 PolarHBondContact O-N 3.35Å; L136-C140 PolarHBondContact O-SG 3.07Å; L136-C140 VanDerWaalsContact O-SG 3.33Å |
| 137 | E | 97.9 | Very high | 97.9 | Very high | 100 Ų | 100 | 104.9 Ų | 104.9 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 178.3 | -172.9 | -172.9 | 174.6 | 0 | 0 | 111.7 | N133 F139 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.4Å; N133-E137 PolarHBondContact O-N 3.1Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.04Å; E137-C140 PolarHBondContact O-N 2.85Å; E137-K141 HydrophobicContact CG-CD 4.33Å; E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 WeakPolarHBondContact O-CG 3.28Å; E137-K141 PolarHBondContact O-N 2.98Å; E137-K141 VanDerWaalsContact OE1-CE 3.22Å; E137-K141 WeakPolarHBondContact OE1-CE 3.46Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 3.05Å |
| 138 | R | 98.2 | Very high | 97.8 | Very high | 163 Ų | 163 | 104.4 Ų | 104.4 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 175.3 | -76.9 | -174.9 | -70.1 | 168 | -3.5 | 112.1 | Q134 K135 L136 T142 | Q134-R138 WeakPolarHBondContact O-CB 3.43Å; Q134-R138 VanDerWaalsContact O-CG 3.32Å; Q134-R138 WeakPolarHBondContact O-CG 3.07Å; Q134-R138 PolarHBondContact O-N 3.02Å; Q134-R138 PolarHBondContact O-NE 3.39Å; K135-R138 PolarHBondContact O-N 3.44Å; L136-R138 PolarHBondContact O-N 3.41Å; R138-T142 WeakPolarHBondContact O-CB 3.24Å; R138-T142 PolarHBondContact O-N 3.13Å; R138-T142 PolarHBondContact O-OG1 3.33Å |
| 139 | F | 97.2 | Very high | 97.8 | Very high | 141 Ų | 141 | 106 Ų | 106 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -49.7 | 176.5 | 178 | -98.3 | 0 | 0 | 0 | 111.2 | K135 L136 E137 K141 T142 N143 | K135-F139 WeakPolarHBondContact O-CB 3.17Å; K135-F139 PolarHBondContact O-N 3.35Å; L136-F139 WeakPolarHBondContact O-CB 3.35Å; L136-F139 PolarHBondContact O-N 3.27Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 3.04Å; F139-K141 PolarHBondContact O-N 3.42Å; F139-T142 PolarHBondContact O-N 2.94Å; F139-N143 WeakPolarHBondContact O-CB 3.46Å; F139-N143 PolarHBondContact O-N 2.78Å |
| 140 | C | 96.8 | Very high | 97.8 | Very high | 63 Ų | 63 | 105.1 Ų | 105.1 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 177.9 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | L136 E137 T142 N143 E144 | L136-C140 PolarHBondContact O-N 3.35Å; L136-C140 PolarHBondContact O-SG 3.07Å; L136-C140 VanDerWaalsContact O-SG 3.33Å; E137-C140 PolarHBondContact O-N 2.85Å; C140-T142 VanDerWaalsContact C-N 3.3Å; C140-T142 PolarHBondContact O-N 2.98Å; C140-N143 PolarHBondContact O-N 2.99Å; C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 3.37Å |
| 141 | K | 98.2 | Very high | 97.8 | Very high | 107 Ų | 107 | 100.9 Ų | 100.9 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 177.6 | -73.1 | 179.6 | -177 | 174.7 | 0 | 112.9 | E137 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.33Å; E137-K141 WeakPolarHBondContact O-CB 3.43Å; E137-K141 WeakPolarHBondContact O-CG 3.28Å; E137-K141 PolarHBondContact O-N 2.98Å; E137-K141 VanDerWaalsContact OE1-CE 3.22Å; E137-K141 WeakPolarHBondContact OE1-CE 3.46Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 3.05Å; F139-K141 PolarHBondContact O-N 3.42Å; K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 PolarHBondContact O-N 3.45Å; K141-R145 VanDerWaalsContact O-N 3.11Å |
| 142 | T | 97.9 | Very high | 97.8 | Very high | 60 Ų | 60 | 103 Ų | 103 | 37% | 0.368 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -49.5 | 177.2 | -58 | 0 | 0 | 0 | 0 | 110.4 | R138 F139 C140 E144 R145 E146 | R138-T142 WeakPolarHBondContact O-CB 3.24Å; R138-T142 PolarHBondContact O-N 3.13Å; R138-T142 PolarHBondContact O-OG1 3.33Å; F139-T142 PolarHBondContact O-N 2.94Å; C140-T142 VanDerWaalsContact C-N 3.3Å; C140-T142 PolarHBondContact O-N 2.98Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.25Å; T142-R145 WeakPolarHBondContact O-CB 3.49Å; T142-R145 PolarHBondContact O-N 2.87Å; T142-E146 WeakPolarHBondContact O-CG 3.34Å; T142-E146 PolarHBondContact O-N 3.15Å |
| 143 | N | 97.3 | Very high | 97.7 | Very high | 66 Ų | 66 | 105 Ų | 105 | 35% | 0.353 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.3 | -178.9 | 58.4 | 0 | 0 | 0 | 112.7 | F139 C140 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.46Å; F139-N143 PolarHBondContact O-N 2.78Å; C140-N143 PolarHBondContact O-N 2.99Å; N143-E146 PolarHBondContact O-N 3.42Å; N143-R147 PolarHBondContact ND2-NE 2.99Å; N143-R147 WeakPolarHBondContact O-CG 3.36Å; N143-R147 PolarHBondContact O-N 3.1Å |
| 144 | E | 97.4 | Very high | 97.7 | Very high | 116 Ų | 116 | 105.5 Ų | 105.5 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 173.4 | -172 | -173.5 | 166.5 | 0 | 0 | 112.3 | C140 T142 E146 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 3.37Å; T142-E144 VanDerWaalsContact C-N 3.34Å; T142-E144 PolarHBondContact O-N 3.25Å; E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 2.91Å; E144-R147 PolarHBondContact O-N 2.85Å; E144-K148 PolarHBondContact O-N 3.11Å |
| 145 | R | 97.9 | Very high | 97.6 | Very high | 169 Ų | 169 | 103.4 Ų | 103.4 | 64% | 0.638 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 176.7 | -168.9 | -173.2 | -57.5 | 131.1 | 3.9 | 112 | K141 T142 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.37Å; K141-R145 PolarHBondContact O-N 3.45Å; K141-R145 VanDerWaalsContact O-N 3.11Å; T142-R145 WeakPolarHBondContact O-CB 3.49Å; T142-R145 PolarHBondContact O-N 2.87Å; R145-K148 PolarHBondContact O-N 3.42Å; R145-N149 WeakPolarHBondContact O-CB 3.48Å; R145-N149 PolarHBondContact O-N 3.26Å |
| 146 | E | 98.1 | Very high | 97.6 | Very high | 109 Ų | 109 | 102.6 Ų | 102.6 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 176.6 | -73.7 | 178.7 | -179.9 | 0 | 0 | 111.9 | T142 N143 E144 K148 N149 I150 | T142-E146 WeakPolarHBondContact O-CG 3.34Å; T142-E146 PolarHBondContact O-N 3.15Å; N143-E146 PolarHBondContact O-N 3.42Å; E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 2.91Å; E146-K148 PolarHBondContact O-N 3.34Å; E146-N149 WeakPolarHBondContact O-CB 3.48Å; E146-N149 PolarHBondContact O-N 2.83Å; E146-I150 WeakPolarHBondContact O-CG1 3.41Å; E146-I150 PolarHBondContact O-N 3.24Å |
| 147 | R | 97.7 | Very high | 97.6 | Very high | 145 Ų | 145 | 103.8 Ų | 103.8 | 55% | 0.547 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 174 | -74.1 | -175.9 | -69.6 | 139.7 | -1.4 | 111.6 | N143 E144 N149 I150 N151 | N143-R147 PolarHBondContact ND2-NE 2.99Å; N143-R147 WeakPolarHBondContact O-CG 3.36Å; N143-R147 PolarHBondContact O-N 3.1Å; E144-R147 PolarHBondContact O-N 2.85Å; R147-N149 PolarHBondContact O-N 3.28Å; R147-I150 PolarHBondContact O-N 2.98Å; R147-N151 WeakPolarHBondContact O-CB 3.37Å; R147-N151 PolarHBondContact O-N 2.88Å |
| 148 | K | 97.9 | Very high | 97.5 | Very high | 117 Ų | 117 | 104.5 Ų | 104.5 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.8 | -171.5 | 164.6 | -173.7 | 153.1 | 0 | 112.1 | E144 R145 E146 N151 N152 | E144-K148 PolarHBondContact O-N 3.11Å; R145-K148 PolarHBondContact O-N 3.42Å; E146-K148 PolarHBondContact O-N 3.34Å; K148-N151 PolarHBondContact O-N 2.94Å; K148-N152 WeakPolarHBondContact O-CB 3.38Å; K148-N152 PolarHBondContact O-N 3.34Å; K148-N152 PolarHBondContact O-OD1 3.1Å |
| 149 | N | 97.8 | Very high | 97.5 | Very high | 79 Ų | 79 | 101.2 Ų | 101.2 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.8 | -178.1 | 47.3 | 0 | 0 | 0 | 112.5 | R145 E146 R147 K153 | R145-N149 WeakPolarHBondContact O-CB 3.48Å; R145-N149 PolarHBondContact O-N 3.26Å; E146-N149 WeakPolarHBondContact O-CB 3.48Å; E146-N149 PolarHBondContact O-N 2.83Å; R147-N149 PolarHBondContact O-N 3.28Å; N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 3.34Å; N149-K153 VanDerWaalsContact O-N 3.14Å |
| 150 | I | 97.3 | Very high | 97.5 | Very high | 115 Ų | 115 | 98 Ų | 98 | 59% | 0.59 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.1 | -47.2 | 176.1 | -67.9 | 166.1 | 0 | 0 | 0 | 110.3 | E146 R147 N152 K153 F154 | E146-I150 WeakPolarHBondContact O-CG1 3.41Å; E146-I150 PolarHBondContact O-N 3.24Å; R147-I150 PolarHBondContact O-N 2.98Å; I150-N152 PolarHBondContact O-N 3.49Å; I150-K153 PolarHBondContact O-N 3.14Å; I150-F154 PolarHBondContact O-N 3.29Å; I150-F154 VanDerWaalsContact O-N 3.1Å |
| 151 | N | 97.3 | Very high | 97.6 | Very high | 43 Ų | 43 | 99.1 Ų | 99.1 | 23% | 0.23 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 178.7 | -168.9 | 23.6 | 0 | 0 | 0 | 111.3 | R147 K148 K153 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.37Å; R147-N151 PolarHBondContact O-N 2.88Å; K148-N151 PolarHBondContact O-N 2.94Å; N151-K153 PolarHBondContact O-N 2.94Å; N151-F154 PolarHBondContact O-N 2.95Å; N151-F154 VanDerWaalsContact O-N 3.11Å; N151-C155 WeakPolarHBondContact O-CB 3.47Å; N151-C155 PolarHBondContact O-N 3.23Å; N151-C155 PolarHBondContact O-SG 3.38Å; N151-C155 VanDerWaalsContact O-SG 3.38Å |
| 152 | N | 97.8 | Very high | 97.6 | Very high | 79 Ų | 79 | 100 Ų | 100 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.7 | -47 | 178.1 | -72.7 | -7 | 0 | 0 | 0 | 112.3 | K148 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.38Å; K148-N152 PolarHBondContact O-N 3.34Å; K148-N152 PolarHBondContact O-OD1 3.1Å; I150-N152 PolarHBondContact O-N 3.49Å; N152-F154 VanDerWaalsContact C-N 3.27Å; N152-F154 PolarHBondContact O-N 3.45Å; N152-C155 PolarHBondContact O-N 3.39Å; N152-E156 WeakPolarHBondContact O-CG 3.37Å; N152-E156 PolarHBondContact O-N 3.46Å |
| 153 | K | 97.6 | Very high | 97.6 | Very high | 115 Ų | 115 | 102.8 Ų | 102.8 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 176.9 | -73 | 174.4 | -179.5 | -178.6 | 0 | 112.2 | N149 I150 N151 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 3.34Å; N149-K153 VanDerWaalsContact O-N 3.14Å; I150-K153 PolarHBondContact O-N 3.14Å; N151-K153 PolarHBondContact O-N 2.94Å; K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 3.38Å; K153-Q157 VanDerWaalsContact O-N 3.15Å |
| 154 | F | 96.3 | Very high | 97.7 | Very high | 81 Ų | 81 | 105.7 Ų | 105.7 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.2 | -42.2 | 178.9 | -163.6 | -124.5 | 0 | 0 | 0 | 111.9 | I150 N151 N152 E156 Q157 Y158 | I150-F154 PolarHBondContact O-N 3.29Å; I150-F154 VanDerWaalsContact O-N 3.1Å; N151-F154 PolarHBondContact O-N 2.95Å; N151-F154 VanDerWaalsContact O-N 3.11Å; N152-F154 VanDerWaalsContact C-N 3.27Å; N152-F154 PolarHBondContact O-N 3.45Å; F154-E156 PolarHBondContact O-N 3.46Å; F154-Q157 PolarHBondContact O-N 3.45Å; F154-Y158 AromaticContact CD1-CD2 3.86Å; F154-Y158 HydrophobicContact CD1-CD2 3.86Å; F154-Y158 AromaticContact CD1-CE2 3.43Å; F154-Y158 HydrophobicContact CD1-CE2 3.43Å; F154-Y158 VanDerWaalsContact CD1-CE2 3.43Å; F154-Y158 HydrophobicContact CD2-CE2 4.42Å; F154-Y158 AromaticContact CE1-CD2 3.92Å; F154-Y158 HydrophobicContact CE1-CD2 3.92Å; F154-Y158 AromaticContact CE1-CE2 3.01Å; F154-Y158 HydrophobicContact CE1-CE2 3.01Å; F154-Y158 AromaticContact CE1-CZ 3.64Å; F154-Y158 HydrophobicContact CE2-CE2 4.04Å; F154-Y158 HydrophobicContact CG-CD2 4.32Å; F154-Y158 HydrophobicContact CG-CE2 4.15Å; F154-Y158 HydrophobicContact CZ-CD2 4.3Å; F154-Y158 AromaticContact CZ-CE2 3.33Å; F154-Y158 HydrophobicContact CZ-CE2 3.33Å; F154-Y158 AromaticContact CZ-CZ 3.47Å; F154-Y158 VanDerWaalsContact CZ-CZ 3.47Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.48Å; F154-Y158 WeakPolarHBondContact O-CD2 3.38Å; F154-Y158 PolarHBondContact O-N 3.38Å |
| 155 | C | 97.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 103 Ų | 103 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 172.5 | -73.2 | 0 | 0 | 0 | 0 | 111.8 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.47Å; N151-C155 PolarHBondContact O-N 3.23Å; N151-C155 PolarHBondContact O-SG 3.38Å; N151-C155 VanDerWaalsContact O-SG 3.38Å; N152-C155 PolarHBondContact O-N 3.39Å; C155-Q157 VanDerWaalsContact C-N 3.34Å; C155-Q157 PolarHBondContact O-N 2.92Å; C155-Y158 PolarHBondContact O-N 2.89Å; C155-I159 WeakPolarHBondContact O-CB 3.46Å; C155-I159 VanDerWaalsContact O-CG1 3.24Å; C155-I159 WeakPolarHBondContact O-CG1 3.49Å; C155-I159 PolarHBondContact O-N 3.35Å |
| 156 | E | 97.5 | Very high | 97.8 | Very high | 134 Ų | 134 | 99.6 Ų | 99.6 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.7 | -44.8 | 175.4 | -75.6 | 174.6 | -176.3 | 0 | 0 | 112 | N152 F154 I159 S160 | N152-E156 WeakPolarHBondContact O-CG 3.37Å; N152-E156 PolarHBondContact O-N 3.46Å; F154-E156 PolarHBondContact O-N 3.46Å; E156-I159 PolarHBondContact O-N 3.28Å; E156-S160 WeakPolarHBondContact O-CB 3.49Å; E156-S160 PolarHBondContact O-N 2.99Å |
| 157 | Q | 97.3 | Very high | 97.8 | Very high | 126 Ų | 126 | 100 Ų | 100 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 176.4 | -75 | -178.4 | -16.4 | 0 | 0 | 112.3 | K153 F154 C155 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.32Å; K153-Q157 PolarHBondContact O-N 3.38Å; K153-Q157 VanDerWaalsContact O-N 3.15Å; F154-Q157 PolarHBondContact O-N 3.45Å; C155-Q157 VanDerWaalsContact C-N 3.34Å; C155-Q157 PolarHBondContact O-N 2.92Å; Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 3.43Å; Q157-T161 PolarHBondContact O-OG1 2.77Å |
| 158 | Y | 96.9 | Very high | 97.8 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 45% | 0.447 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 176.6 | -84.6 | -53.7 | 0 | 0 | 0 | 112.4 | F154 C155 S160 T161 F162 | F154-Y158 AromaticContact CD1-CD2 3.86Å; F154-Y158 HydrophobicContact CD1-CD2 3.86Å; F154-Y158 AromaticContact CD1-CE2 3.43Å; F154-Y158 HydrophobicContact CD1-CE2 3.43Å; F154-Y158 VanDerWaalsContact CD1-CE2 3.43Å; F154-Y158 HydrophobicContact CD2-CE2 4.42Å; F154-Y158 AromaticContact CE1-CD2 3.92Å; F154-Y158 HydrophobicContact CE1-CD2 3.92Å; F154-Y158 AromaticContact CE1-CE2 3.01Å; F154-Y158 HydrophobicContact CE1-CE2 3.01Å; F154-Y158 AromaticContact CE1-CZ 3.64Å; F154-Y158 HydrophobicContact CE2-CE2 4.04Å; F154-Y158 HydrophobicContact CG-CD2 4.32Å; F154-Y158 HydrophobicContact CG-CE2 4.15Å; F154-Y158 HydrophobicContact CZ-CD2 4.3Å; F154-Y158 AromaticContact CZ-CE2 3.33Å; F154-Y158 HydrophobicContact CZ-CE2 3.33Å; F154-Y158 AromaticContact CZ-CZ 3.47Å; F154-Y158 VanDerWaalsContact CZ-CZ 3.47Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.48Å; F154-Y158 WeakPolarHBondContact O-CD2 3.38Å; F154-Y158 PolarHBondContact O-N 3.38Å; C155-Y158 PolarHBondContact O-N 2.89Å; Y158-S160 VanDerWaalsContact C-N 3.29Å; Y158-S160 PolarHBondContact O-N 2.93Å; Y158-T161 PolarHBondContact O-N 3.01Å; Y158-T161 VanDerWaalsContact O-N 3.1Å; Y158-F162 AromaticContact CD1-CE2 3.99Å; Y158-F162 HydrophobicContact CD1-CE2 3.99Å; Y158-F162 HydrophobicContact CG-CE2 4.3Å; Y158-F162 WeakPolarHBondContact O-CD2 3.49Å; Y158-F162 PolarHBondContact O-N 2.98Å |
| 159 | I | 97.9 | Very high | 97.8 | Very high | 95 Ų | 95 | 95.3 Ų | 95.3 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 178.6 | -70.2 | 164.9 | 0 | 0 | 0 | 109.8 | C155 E156 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.46Å; C155-I159 VanDerWaalsContact O-CG1 3.24Å; C155-I159 WeakPolarHBondContact O-CG1 3.49Å; C155-I159 PolarHBondContact O-N 3.35Å; E156-I159 PolarHBondContact O-N 3.28Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.31Å; I159-F162 PolarHBondContact O-N 3.42Å; I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CB 3.5Å; I159-Q163 VanDerWaalsContact O-CG 3.28Å; I159-Q163 WeakPolarHBondContact O-CG 3.22Å; I159-Q163 PolarHBondContact O-N 3.18Å |
| 160 | S | 97.9 | Very high | 97.9 | Very high | 72 Ų | 72 | 97.5 Ų | 97.5 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | E156 Y158 K164 | E156-S160 WeakPolarHBondContact O-CB 3.49Å; E156-S160 PolarHBondContact O-N 2.99Å; Y158-S160 VanDerWaalsContact C-N 3.29Å; Y158-S160 PolarHBondContact O-N 2.93Å; S160-K164 WeakPolarHBondContact O-CB 3.33Å; S160-K164 PolarHBondContact O-N 3.11Å |
| 161 | T | 98.2 | Very high | 97.9 | Very high | 87 Ų | 87 | 97.7 Ų | 97.7 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.35Å; Q157-T161 PolarHBondContact O-N 3.43Å; Q157-T161 PolarHBondContact O-OG1 2.77Å; Y158-T161 PolarHBondContact O-N 3.01Å; Y158-T161 VanDerWaalsContact O-N 3.1Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.31Å; T161-K164 PolarHBondContact O-N 3.33Å; T161-S165 WeakPolarHBondContact O-CB 3.34Å; T161-S165 PolarHBondContact O-N 3.41Å |
| 162 | F | 98.2 | Very high | 98 | Very high | 125 Ų | 125 | 101.7 Ų | 101.7 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 178 | -74.7 | -59.3 | 0 | 0 | 0 | 111.9 | Y158 I159 K164 S165 D166 | Y158-F162 AromaticContact CD1-CE2 3.99Å; Y158-F162 HydrophobicContact CD1-CE2 3.99Å; Y158-F162 HydrophobicContact CG-CE2 4.3Å; Y158-F162 WeakPolarHBondContact O-CD2 3.49Å; Y158-F162 PolarHBondContact O-N 2.98Å; I159-F162 PolarHBondContact O-N 3.42Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.93Å; F162-S165 WeakPolarHBondContact O-CB 2.96Å; F162-S165 PolarHBondContact O-N 2.94Å; F162-S165 VanDerWaalsContact O-N 3.13Å; F162-D166 PolarHBondContact O-N 3.5Å |
| 163 | Q | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 101.7 Ų | 101.7 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.7 | -44.1 | 173.5 | -75 | 175.4 | -16.5 | 0 | 0 | 111.6 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CB 3.5Å; I159-Q163 VanDerWaalsContact O-CG 3.28Å; I159-Q163 WeakPolarHBondContact O-CG 3.22Å; I159-Q163 PolarHBondContact O-N 3.18Å; Q163-D166 PolarHBondContact O-N 3.23Å; Q163-M167 WeakPolarHBondContact O-CG 3.39Å; Q163-M167 PolarHBondContact O-N 3.17Å |
| 164 | K | 98.3 | Very high | 98.1 | Very high | 128 Ų | 128 | 101.3 Ų | 101.3 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 175.3 | -174.9 | -179.4 | 176.6 | -175.8 | 0 | 112.1 | S160 T161 F162 D166 M167 D168 | S160-K164 WeakPolarHBondContact O-CB 3.33Å; S160-K164 PolarHBondContact O-N 3.11Å; T161-K164 PolarHBondContact O-N 3.33Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.93Å; K164-D166 VanDerWaalsContact C-N 3.3Å; K164-D166 PolarHBondContact O-N 3.05Å; K164-M167 PolarHBondContact O-N 3.02Å; K164-D168 PolarHBondContact O-N 3.43Å |
| 165 | S | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 102.4 Ų | 102.4 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 112 | T161 F162 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.34Å; T161-S165 PolarHBondContact O-N 3.41Å; F162-S165 WeakPolarHBondContact O-CB 2.96Å; F162-S165 PolarHBondContact O-N 2.94Å; F162-S165 VanDerWaalsContact O-N 3.13Å; S165-D168 PolarHBondContact O-N 3.19Å; S165-V169 WeakPolarHBondContact O-CG2 3.22Å; S165-V169 PolarHBondContact O-N 3.15Å |
| 166 | D | 98.5 | Very high | 98.2 | Very high | 98 Ų | 98 | 105.6 Ų | 105.6 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 178 | -73.6 | -20.4 | 0 | 0 | 0 | 111.6 | F162 Q163 K164 V169 Q170 | F162-D166 PolarHBondContact O-N 3.5Å; Q163-D166 PolarHBondContact O-N 3.23Å; K164-D166 VanDerWaalsContact C-N 3.3Å; K164-D166 PolarHBondContact O-N 3.05Å; D166-V169 PolarHBondContact O-N 2.98Å; D166-Q170 WeakPolarHBondContact O-CG 3.41Å; D166-Q170 PolarHBondContact O-N 2.97Å |
| 167 | M | 98.5 | Very high | 98.2 | Very high | 116 Ų | 116 | 105.3 Ų | 105.3 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 173.3 | -67.9 | -168.1 | -40.1 | 0 | 0 | 112 | Q163 K164 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CG 3.39Å; Q163-M167 PolarHBondContact O-N 3.17Å; K164-M167 PolarHBondContact O-N 3.02Å; M167-V169 VanDerWaalsContact C-N 3.31Å; M167-V169 PolarHBondContact O-N 3.38Å; M167-Q170 PolarHBondContact O-N 2.87Å; M167-K171 WeakPolarHBondContact O-CB 3.41Å; M167-K171 PolarHBondContact O-N 3.38Å |
| 168 | D | 98.5 | Very high | 98.3 | Very high | 89 Ų | 89 | 105.9 Ų | 105.9 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 178.6 | -72.9 | -23.9 | 0 | 0 | 0 | 111.2 | K164 S165 K171 F172 | K164-D168 PolarHBondContact O-N 3.43Å; S165-D168 PolarHBondContact O-N 3.19Å; D168-K171 PolarHBondContact O-N 3.47Å; D168-F172 WeakPolarHBondContact O-CB 3.33Å; D168-F172 PolarHBondContact O-N 3.35Å |
| 169 | V | 98.5 | Very high | 98.3 | Very high | 76 Ų | 76 | 104.2 Ų | 104.2 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 174 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | S165 D166 M167 F172 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.22Å; S165-V169 PolarHBondContact O-N 3.15Å; D166-V169 PolarHBondContact O-N 2.98Å; M167-V169 VanDerWaalsContact C-N 3.31Å; M167-V169 PolarHBondContact O-N 3.38Å; V169-F172 PolarHBondContact O-N 2.92Å; V169-N173 PolarHBondContact O-N 3.16Å; V169-N173 PolarHBondContact O-ND2 2.88Å |
| 170 | Q | 98.4 | Very high | 98.3 | Very high | 125 Ų | 125 | 103.6 Ų | 103.6 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -49.5 | 175.5 | -73.1 | 177.8 | 1.4 | 0 | 0 | 111 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.41Å; D166-Q170 PolarHBondContact O-N 2.97Å; M167-Q170 PolarHBondContact O-N 2.87Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.3Å; Q170-N173 WeakPolarHBondContact O-CB 3.34Å; Q170-N173 PolarHBondContact O-N 3.16Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; Q170-E174 PolarHBondContact O-N 3.3Å; Q170-E174 VanDerWaalsContact O-N 3.07Å |
| 171 | K | 98.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 103.8 Ų | 103.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 177.6 | -174 | -177.7 | 175.8 | -171.3 | 0 | 112.1 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CB 3.41Å; M167-K171 PolarHBondContact O-N 3.38Å; D168-K171 PolarHBondContact O-N 3.47Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.18Å; K171-E174 PolarHBondContact O-N 3.46Å; K171-E175 VanDerWaalsContact CE-OE1 3.3Å; K171-E175 WeakPolarHBondContact CE-OE1 3.41Å; K171-E175 PolarHBondContact O-N 2.85Å |
| 172 | F | 98.5 | Very high | 98.3 | Very high | 128 Ų | 128 | 103 Ų | 103 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.3 | -41.5 | 175.5 | 174 | -98.4 | 0 | 0 | 0 | 112 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.33Å; D168-F172 PolarHBondContact O-N 3.35Å; V169-F172 PolarHBondContact O-N 2.92Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.3Å; F172-E175 PolarHBondContact O-N 3.39Å; F172-K176 HydrophobicContact CE1-CD 4.37Å; F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.49Å; F172-K176 PolarHBondContact O-N 3.01Å |
| 173 | N | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 100.7 Ų | 100.7 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 178 | -75.2 | -34.6 | 0 | 0 | 0 | 112.3 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.16Å; V169-N173 PolarHBondContact O-ND2 2.88Å; Q170-N173 WeakPolarHBondContact O-CB 3.34Å; Q170-N173 PolarHBondContact O-N 3.16Å; Q170-N173 VanDerWaalsContact O-N 3.1Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.18Å; N173-K176 PolarHBondContact O-N 3.38Å; N173-E177 PolarHBondContact O-N 3.43Å |
| 174 | E | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.6 | -67.7 | 179.4 | -170.3 | 0 | 0 | 112.4 | Q170 K171 K176 E177 K178 | Q170-E174 PolarHBondContact O-N 3.3Å; Q170-E174 VanDerWaalsContact O-N 3.07Å; K171-E174 PolarHBondContact O-N 3.46Å; E174-K176 VanDerWaalsContact C-N 3.35Å; E174-E177 PolarHBondContact O-N 3.04Å; E174-K178 WeakPolarHBondContact O-CG 3.29Å; E174-K178 PolarHBondContact O-N 3.46Å |
| 175 | E | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 177.1 | -73.1 | 180 | -174.6 | 0 | 0 | 111.5 | K171 F172 K178 S179 | K171-E175 VanDerWaalsContact CE-OE1 3.3Å; K171-E175 WeakPolarHBondContact CE-OE1 3.41Å; K171-E175 PolarHBondContact O-N 2.85Å; F172-E175 PolarHBondContact O-N 3.39Å; E175-K178 PolarHBondContact O-N 3.43Å; E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 3.33Å |
| 176 | K | 98.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 104.9 Ų | 104.9 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 174.3 | 178.3 | -173.9 | 172 | -174.6 | 0 | 111.5 | F172 N173 E174 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.37Å; F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.49Å; F172-K176 PolarHBondContact O-N 3.01Å; N173-K176 PolarHBondContact O-N 3.38Å; E174-K176 VanDerWaalsContact C-N 3.35Å; K176-S179 PolarHBondContact O-N 2.8Å; K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.36Å; K176-V180 PolarHBondContact O-N 2.9Å |
| 177 | E | 98.2 | Very high | 98.3 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 178.6 | -173 | 177.9 | 176 | 0 | 0 | 111.7 | N173 E174 S179 V180 N181 | N173-E177 PolarHBondContact O-N 3.43Å; E174-E177 PolarHBondContact O-N 3.04Å; E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 PolarHBondContact O-N 2.95Å; E177-V180 PolarHBondContact O-N 2.89Å; E177-N181 WeakPolarHBondContact O-CB 3.33Å; E177-N181 PolarHBondContact O-N 3.29Å; E177-N181 PolarHBondContact O-ND2 3Å |
| 178 | K | 98.3 | Very high | 98.3 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.6 | -45.1 | 174 | -72 | 169 | -175.1 | 164 | 0 | 111.7 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.29Å; E174-K178 PolarHBondContact O-N 3.46Å; E175-K178 PolarHBondContact O-N 3.43Å; K178-N181 PolarHBondContact O-N 2.63Å; K178-S182 PolarHBondContact O-N 2.9Å |
| 179 | S | 97.8 | Very high | 98.3 | Very high | 79 Ų | 79 | 103.4 Ų | 103.4 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -44 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | E175 K176 E177 N181 S182 C183 | E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 3.33Å; K176-S179 PolarHBondContact O-N 2.8Å; E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 PolarHBondContact O-N 2.95Å; S179-N181 PolarHBondContact O-N 3.38Å; S179-S182 PolarHBondContact O-N 3.48Å; S179-C183 WeakPolarHBondContact O-CB 3.47Å; S179-C183 PolarHBondContact O-N 3.46Å |
| 180 | V | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 105.6 Ų | 105.6 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 175.8 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | K176 E177 S182 C183 Q184 | K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.36Å; K176-V180 PolarHBondContact O-N 2.9Å; E177-V180 PolarHBondContact O-N 2.89Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.78Å; V180-C183 PolarHBondContact O-N 3.27Å; V180-Q184 PolarHBondContact O-N 3.47Å |
| 181 | N | 98.3 | Very high | 98.3 | Very high | 76 Ų | 76 | 106.1 Ų | 106.1 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 177.7 | -73.3 | -27.8 | 0 | 0 | 0 | 112.2 | E177 K178 S179 Q184 K185 | E177-N181 WeakPolarHBondContact O-CB 3.33Å; E177-N181 PolarHBondContact O-N 3.29Å; E177-N181 PolarHBondContact O-ND2 3Å; K178-N181 PolarHBondContact O-N 2.63Å; S179-N181 PolarHBondContact O-N 3.38Å; N181-Q184 PolarHBondContact O-N 3.43Å; N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 2.88Å; N181-K185 VanDerWaalsContact O-N 3.16Å |
| 182 | S | 98.1 | Very high | 98.2 | Very high | 71 Ų | 71 | 106.6 Ų | 106.6 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 175.3 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 2.9Å; S179-S182 PolarHBondContact O-N 3.48Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.78Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.93Å; S182-K185 PolarHBondContact O-N 3.43Å; S182-E186 PolarHBondContact O-N 3.48Å |
| 183 | C | 98 | Very high | 98.2 | Very high | 77 Ų | 77 | 104 Ų | 104 | 52% | 0.52 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.47Å; S179-C183 PolarHBondContact O-N 3.46Å; V180-C183 PolarHBondContact O-N 3.27Å; C183-E186 PolarHBondContact O-N 2.74Å; C183-Q187 VanDerWaalsContact O-CB 3.31Å; C183-Q187 WeakPolarHBondContact O-CB 3.44Å; C183-Q187 PolarHBondContact O-N 2.91Å |
| 184 | Q | 98.4 | Very high | 98.2 | Very high | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176.1 | -176.3 | 178 | -16.5 | 0 | 0 | 112.4 | V180 N181 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.47Å; N181-Q184 PolarHBondContact O-N 3.43Å; S182-Q184 VanDerWaalsContact C-N 3.3Å; S182-Q184 PolarHBondContact O-N 2.93Å; Q184-Q187 PolarHBondContact O-N 2.9Å; Q184-Q188 WeakPolarHBondContact O-CG 3.34Å; Q184-Q188 PolarHBondContact O-N 3.46Å |
| 185 | K | 98.3 | Very high | 98.2 | Very high | 153 Ų | 153 | 105 Ų | 105 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 175.9 | -72 | 177.3 | -178.8 | 179.6 | 0 | 111.4 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.42Å; N181-K185 PolarHBondContact O-N 2.88Å; N181-K185 VanDerWaalsContact O-N 3.16Å; S182-K185 PolarHBondContact O-N 3.43Å; K185-Q187 VanDerWaalsContact C-N 3.35Å; K185-Q187 PolarHBondContact O-N 3.19Å; K185-Q188 PolarHBondContact O-N 3.16Å; K185-A189 PolarHBondContact O-N 2.91Å |
| 186 | E | 97.9 | Very high | 98.2 | Very high | 142 Ų | 142 | 103 Ų | 103 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 177.5 | -171.3 | 175.1 | -178.1 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 3.48Å; C183-E186 PolarHBondContact O-N 2.74Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.37Å; E186-A189 PolarHBondContact O-N 2.84Å; E186-L190 WeakPolarHBondContact O-CB 3.42Å; E186-L190 PolarHBondContact O-N 3.14Å |
| 187 | Q | 98.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 174.9 | -169.2 | -173.9 | 29.7 | 0 | 0 | 112.2 | C183 Q184 K185 K191 | C183-Q187 VanDerWaalsContact O-CB 3.31Å; C183-Q187 WeakPolarHBondContact O-CB 3.44Å; C183-Q187 PolarHBondContact O-N 2.91Å; Q184-Q187 PolarHBondContact O-N 2.9Å; K185-Q187 VanDerWaalsContact C-N 3.35Å; K185-Q187 PolarHBondContact O-N 3.19Å; Q187-K191 WeakPolarHBondContact O-CG 3.38Å; Q187-K191 PolarHBondContact O-N 2.97Å; Q187-K191 VanDerWaalsContact O-N 3.14Å |
| 188 | Q | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 174.8 | -72.8 | 178.7 | -0.1 | 0 | 0 | 111.7 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.34Å; Q184-Q188 PolarHBondContact O-N 3.46Å; K185-Q188 PolarHBondContact O-N 3.16Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.37Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 2.95Å; Q188-K191 PolarHBondContact O-N 3.22Å; Q188-L192 PolarHBondContact O-N 3.46Å; Q188-L192 VanDerWaalsContact O-N 3.08Å |
| 189 | A | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 2.91Å; E186-A189 PolarHBondContact O-N 2.84Å; A189-K191 PolarHBondContact O-N 3.2Å; A189-L192 PolarHBondContact O-N 3.44Å; A189-S193 WeakPolarHBondContact O-CB 3.33Å; A189-S193 PolarHBondContact O-N 3.42Å |
| 190 | L | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 101.1 Ų | 101.1 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 176.7 | -173.1 | 70.5 | 0 | 0 | 0 | 112.1 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.42Å; E186-L190 PolarHBondContact O-N 3.14Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 2.95Å; L190-S193 PolarHBondContact O-N 3.38Å; L190-K194 WeakPolarHBondContact O-CB 3.32Å; L190-K194 PolarHBondContact O-N 2.95Å |
| 191 | K | 98.3 | Very high | 98.1 | Very high | 137 Ų | 137 | 101.5 Ų | 101.5 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 175.8 | -75.8 | 175.7 | -178.9 | 177.7 | 0 | 111.8 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.38Å; Q187-K191 PolarHBondContact O-N 2.97Å; Q187-K191 VanDerWaalsContact O-N 3.14Å; Q188-K191 PolarHBondContact O-N 3.22Å; A189-K191 PolarHBondContact O-N 3.2Å; K191-K194 PolarHBondContact O-N 2.79Å; K191-C195 PolarHBondContact O-N 3.13Å |
| 192 | L | 98.3 | Very high | 98.1 | Very high | 128 Ų | 128 | 102.8 Ų | 102.8 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 177.9 | -71.3 | 173.7 | 0 | 0 | 0 | 111.7 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 3.46Å; Q188-L192 VanDerWaalsContact O-N 3.08Å; A189-L192 PolarHBondContact O-N 3.44Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-K194 PolarHBondContact O-N 3.42Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 3.08Å; L192-S196 PolarHBondContact O-N 2.92Å |
| 193 | S | 97.9 | Very high | 98.1 | Very high | 74 Ų | 74 | 102 Ų | 102 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.33Å; A189-S193 PolarHBondContact O-N 3.42Å; L190-S193 PolarHBondContact O-N 3.38Å; S193-C195 PolarHBondContact O-N 3.08Å; S193-S196 PolarHBondContact O-N 2.88Å; S193-Q197 WeakPolarHBondContact O-CB 3.5Å; S193-Q197 PolarHBondContact O-N 3.3Å |
| 194 | K | 98.3 | Very high | 98.1 | Very high | 140 Ų | 140 | 102 Ų | 102 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 176.2 | -172.4 | 175.5 | -178.3 | 176.5 | 0 | 112.7 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.32Å; L190-K194 PolarHBondContact O-N 2.95Å; K191-K194 PolarHBondContact O-N 2.79Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-K194 PolarHBondContact O-N 3.42Å; K194-N198 PolarHBondContact O-N 2.92Å; K194-N198 VanDerWaalsContact O-N 3.1Å |
| 195 | C | 98.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 102.2 Ų | 102.2 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.13Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 3.08Å; S193-C195 PolarHBondContact O-N 3.08Å; C195-Q197 PolarHBondContact O-N 3.19Å; C195-N198 PolarHBondContact O-N 3.36Å; C195-Q199 WeakPolarHBondContact O-CG 3.34Å; C195-Q199 PolarHBondContact O-N 3Å |
| 196 | S | 97.7 | Very high | 98.1 | Very high | 62 Ų | 62 | 99.7 Ų | 99.7 | 43% | 0.434 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.7 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 2.92Å; S193-S196 PolarHBondContact O-N 2.88Å; S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 PolarHBondContact O-N 3.47Å; S196-Q199 PolarHBondContact O-N 3.4Å; S196-T200 PolarHBondContact O-N 2.94Å; S196-T200 PolarHBondContact O-OG1 3.49Å |
| 197 | Q | 98 | Very high | 98 | Very high | 133 Ų | 133 | 98.7 Ų | 98.7 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.5 | -43 | 176.7 | -172.8 | -179.1 | 19.2 | 0 | 0 | 112.1 | S193 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.5Å; S193-Q197 PolarHBondContact O-N 3.3Å; C195-Q197 PolarHBondContact O-N 3.19Å; Q197-T200 PolarHBondContact O-N 2.99Å; Q197-L201 WeakPolarHBondContact O-CB 3.38Å; Q197-L201 PolarHBondContact O-N 3.37Å |
| 198 | N | 98.1 | Very high | 98 | Very high | 83 Ų | 83 | 99.5 Ų | 99.5 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.3 | -73.9 | -16.6 | 0 | 0 | 0 | 111.8 | K194 C195 S196 L201 E202 | K194-N198 PolarHBondContact O-N 2.92Å; K194-N198 VanDerWaalsContact O-N 3.1Å; C195-N198 PolarHBondContact O-N 3.36Å; S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 PolarHBondContact O-N 3.47Å; N198-L201 WeakPolarHBondContact O-CB 3.27Å; N198-L201 PolarHBondContact O-N 2.92Å; N198-E202 WeakPolarHBondContact O-CG 3.44Å; N198-E202 PolarHBondContact O-N 2.76Å |
| 199 | Q | 97.8 | Very high | 97.9 | Very high | 126 Ų | 126 | 100.9 Ų | 100.9 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 176.2 | -71.8 | 173.8 | -17.4 | 0 | 0 | 112 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.34Å; C195-Q199 PolarHBondContact O-N 3Å; S196-Q199 PolarHBondContact O-N 3.4Å; Q199-L201 VanDerWaalsContact C-N 3.32Å; Q199-L201 PolarHBondContact O-N 2.81Å; Q199-E202 PolarHBondContact O-N 2.97Å; Q199-A203 PolarHBondContact O-N 3.38Å |
| 200 | T | 98 | Very high | 97.8 | Very high | 83 Ų | 83 | 103.4 Ų | 103.4 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S196 Q197 A203 V204 | S196-T200 PolarHBondContact O-N 2.94Å; S196-T200 PolarHBondContact O-OG1 3.49Å; Q197-T200 PolarHBondContact O-N 2.99Å; T200-A203 PolarHBondContact O-N 2.89Å; T200-V204 WeakPolarHBondContact O-CG2 3.37Å; T200-V204 PolarHBondContact O-N 3.5Å |
| 201 | L | 98 | Very high | 97.7 | Very high | 89 Ų | 89 | 100.4 Ų | 100.4 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.4 | 179.3 | 63.1 | 0 | 0 | 0 | 111.9 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.38Å; Q197-L201 PolarHBondContact O-N 3.37Å; N198-L201 WeakPolarHBondContact O-CB 3.27Å; N198-L201 PolarHBondContact O-N 2.92Å; Q199-L201 VanDerWaalsContact C-N 3.32Å; Q199-L201 PolarHBondContact O-N 2.81Å; L201-V204 PolarHBondContact O-N 3.49Å; L201-K205 WeakPolarHBondContact O-CG 3.47Å; L201-K205 PolarHBondContact O-N 2.95Å |
| 202 | E | 98.1 | Very high | 97.6 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.8 | -67.3 | -53.2 | 129.2 | 0 | 0 | 112.1 | N198 Q199 V204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.44Å; N198-E202 PolarHBondContact O-N 2.76Å; Q199-E202 PolarHBondContact O-N 2.97Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.32Å; E202-K205 WeakPolarHBondContact O-CB 3.49Å; E202-K205 PolarHBondContact O-N 2.89Å; E202-K205 IonicContact OE1-NZ 2.75Å; E202-K205 PolarHBondContact OE1-NZ 3.22Å; E202-K205 IonicContact OE2-NZ 3.93Å; E202-E206 PolarHBondContact O-N 2.91Å |
| 203 | A | 98 | Very high | 97.4 | Very high | 55 Ų | 55 | 96.9 Ų | 96.9 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q199 T200 M207 | Q199-A203 PolarHBondContact O-N 3.38Å; T200-A203 PolarHBondContact O-N 2.89Å; A203-M207 WeakPolarHBondContact O-CB 3.2Å; A203-M207 PolarHBondContact O-N 3.2Å |
| 204 | V | 98.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 97.4 Ų | 97.4 | 47% | 0.473 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 175 | 171 | 0 | 0 | 0 | 0 | 111.1 | T200 L201 E202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.37Å; T200-V204 PolarHBondContact O-N 3.5Å; L201-V204 PolarHBondContact O-N 3.49Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.32Å; V204-M207 PolarHBondContact O-N 3.22Å; V204-H208 WeakPolarHBondContact O-CB 3.45Å; V204-H208 PolarHBondContact O-N 3.31Å |
| 205 | K | 97.9 | Very high | 97 | Very high | 102 Ų | 102 | 96 Ų | 96 | 44% | 0.443 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 175.4 | -71.8 | 173.9 | -176.1 | 169.8 | 0 | 111.9 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.47Å; L201-K205 PolarHBondContact O-N 2.95Å; E202-K205 WeakPolarHBondContact O-CB 3.49Å; E202-K205 PolarHBondContact O-N 2.89Å; E202-K205 IonicContact OE1-NZ 2.75Å; E202-K205 PolarHBondContact OE1-NZ 3.22Å; E202-K205 IonicContact OE2-NZ 3.93Å; K205-M207 VanDerWaalsContact C-N 3.35Å; K205-M207 PolarHBondContact O-N 2.89Å; K205-H208 WeakPolarHBondContact O-CB 3.43Å; K205-H208 PolarHBondContact O-N 2.9Å; K205-E209 PolarHBondContact O-N 2.99Å |
| 206 | E | 97.8 | Very high | 96.7 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 178.7 | -172.4 | -171.9 | 166.5 | 0 | 0 | 111.6 | E202 H208 E209 K210 | E202-E206 PolarHBondContact O-N 2.91Å; E206-H208 PolarHBondContact O-N 3.32Å; E206-E209 PolarHBondContact O-N 3.35Å; E206-K210 HydrophobicContact CG-CD 4.46Å; E206-K210 WeakPolarHBondContact O-CG 3.09Å; E206-K210 PolarHBondContact O-N 2.96Å; E206-K210 WeakPolarHBondContact OE1-CE 3.47Å; E206-K210 IonicContact OE1-NZ 2.62Å; E206-K210 PolarHBondContact OE1-NZ 3.45Å |
| 207 | M | 97.2 | Very high | 96.4 | Very high | 121 Ų | 121 | 99.4 Ų | 99.4 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 175.1 | -174.4 | -143.9 | -60.6 | 0 | 0 | 111.8 | A203 V204 K205 S211 | A203-M207 WeakPolarHBondContact O-CB 3.2Å; A203-M207 PolarHBondContact O-N 3.2Å; V204-M207 PolarHBondContact O-N 3.22Å; K205-M207 VanDerWaalsContact C-N 3.35Å; K205-M207 PolarHBondContact O-N 2.89Å; M207-S211 WeakPolarHBondContact O-CB 3.26Å; M207-S211 PolarHBondContact O-N 3.44Å; M207-S211 PolarHBondContact O-OG 3.19Å |
| 208 | H | 97.6 | Very high | 95.9 | Very high | 123 Ų | 123 | 98.1 Ų | 98.1 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -45.8 | 176.9 | 173.1 | -89.2 | 0 | 0 | 0 | 111.4 | V204 K205 E206 S211 M212 | V204-H208 WeakPolarHBondContact O-CB 3.45Å; V204-H208 PolarHBondContact O-N 3.31Å; K205-H208 WeakPolarHBondContact O-CB 3.43Å; K205-H208 PolarHBondContact O-N 2.9Å; E206-H208 PolarHBondContact O-N 3.32Å; H208-S211 PolarHBondContact O-N 3.09Å; H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 2.91Å |
| 209 | E | 96.8 | Very high | 95.1 | Very high | 137 Ų | 137 | 96.8 Ų | 96.8 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.2 | -49.2 | 177.1 | -173.6 | 171.3 | -167.9 | 0 | 0 | 111.9 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 2.99Å; E206-E209 PolarHBondContact O-N 3.35Å; E209-S211 VanDerWaalsContact C-N 3.31Å; E209-S211 PolarHBondContact O-N 2.9Å; E209-M212 PolarHBondContact O-N 2.8Å; E209-E213 PolarHBondContact O-N 2.91Å |
| 210 | K | 96.5 | Very high | 94.1 | Very high | 110 Ų | 110 | 96 Ų | 96 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 174.8 | -73 | 176.8 | -175.5 | 168.7 | 0 | 112.6 | E206 E213 V214 | E206-K210 HydrophobicContact CG-CD 4.46Å; E206-K210 WeakPolarHBondContact O-CG 3.09Å; E206-K210 PolarHBondContact O-N 2.96Å; E206-K210 WeakPolarHBondContact OE1-CE 3.47Å; E206-K210 IonicContact OE1-NZ 2.62Å; E206-K210 PolarHBondContact OE1-NZ 3.45Å; K210-E213 PolarHBondContact O-N 2.94Å; K210-V214 WeakPolarHBondContact O-CG2 3.25Å; K210-V214 PolarHBondContact O-N 3Å |
| 211 | S | 95.9 | Very high | 92.4 | Very high | 59 Ų | 59 | 100.2 Ų | 100.2 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.26Å; M207-S211 PolarHBondContact O-N 3.44Å; M207-S211 PolarHBondContact O-OG 3.19Å; H208-S211 PolarHBondContact O-N 3.09Å; E209-S211 VanDerWaalsContact C-N 3.31Å; E209-S211 PolarHBondContact O-N 2.9Å; S211-V214 PolarHBondContact O-N 3.29Å; S211-L215 WeakPolarHBondContact O-CG 3.43Å; S211-L215 PolarHBondContact O-N 3.35Å |
| 212 | M | 95.1 | Very high | 90.1 | Very high | 78 Ų | 78 | 105.9 Ų | 105.9 | 38% | 0.384 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -41 | 175.8 | -71.1 | -61.7 | -64.8 | 0 | 0 | 112 | H208 E209 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 2.91Å; E209-M212 PolarHBondContact O-N 2.8Å; M212-L215 PolarHBondContact O-N 2.94Å; M212-L215 HydrophobicContact SD-CD1 4.46Å; M212-M216 HydrophobicContact CB-CE 4.05Å; M212-M216 HydrophobicContact CE-CE 4.35Å; M212-M216 WeakPolarHBondContact O-CG 3.31Å; M212-M216 PolarHBondContact O-N 3.2Å |
| 213 | E | 94.9 | Very high | 89.7 | Confident | 114 Ų | 114 | 106.1 Ų | 106.1 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.7 | -45.9 | 175.4 | -175.5 | -178.2 | -176 | 0 | 0 | 111.9 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 2.91Å; K210-E213 PolarHBondContact O-N 2.94Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.42Å; E213-M216 PolarHBondContact O-N 3.49Å; E213-N217 WeakPolarHBondContact O-CB 3.5Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 3.06Å; E213-N217 PolarHBondContact O-ND2 3.18Å; E213-N217 VanDerWaalsContact O-ND2 3.15Å |
| 214 | V | 94.7 | Very high | 89.2 | Confident | 85 Ų | 85 | 108.7 Ų | 108.7 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.8 | -44 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | K210 S211 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.25Å; K210-V214 PolarHBondContact O-N 3Å; S211-V214 PolarHBondContact O-N 3.29Å; V214-N217 PolarHBondContact O-N 2.93Å; V214-L218 HydrophobicContact CG1-CD1 4.01Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 3.42Å |
| 215 | L | 93.1 | Very high | 88.8 | Confident | 111 Ų | 111 | 110.4 Ų | 110.4 | 58% | 0.581 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.6 | -42.5 | 177.4 | -71.5 | 174.9 | 0 | 0 | 0 | 112.3 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.43Å; S211-L215 PolarHBondContact O-N 3.35Å; M212-L215 PolarHBondContact O-N 2.94Å; M212-L215 HydrophobicContact SD-CD1 4.46Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.42Å; L215-L218 PolarHBondContact O-N 3.4Å; L215-G219 PolarHBondContact O-N 3.37Å; L215-G219 VanDerWaalsContact O-N 3.12Å |
| 216 | M | 91.6 | Very high | 88.2 | Confident | 118 Ų | 118 | 110.9 Ų | 110.9 | 58% | 0.581 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.7 | -42.6 | 175.6 | -71 | -175.3 | -132.5 | 0 | 0 | 111.7 | M212 E213 L218 G219 T220 | M212-M216 HydrophobicContact CB-CE 4.05Å; M212-M216 HydrophobicContact CE-CE 4.35Å; M212-M216 WeakPolarHBondContact O-CG 3.31Å; M212-M216 PolarHBondContact O-N 3.2Å; E213-M216 PolarHBondContact O-N 3.49Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 3.26Å; M216-G219 PolarHBondContact O-N 3.08Å; M216-T220 PolarHBondContact O-N 2.75Å; M216-T220 PolarHBondContact O-OG1 3.15Å |
| 217 | N | 91.2 | Very high | 87.6 | Confident | 79 Ų | 79 | 111.6 Ų | 111.6 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.1 | -25.6 | 178.8 | -73.9 | -33.6 | 0 | 0 | 0 | 113.8 | E213 V214 T220 | E213-N217 WeakPolarHBondContact O-CB 3.5Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 3.06Å; E213-N217 PolarHBondContact O-ND2 3.18Å; E213-N217 VanDerWaalsContact O-ND2 3.15Å; V214-N217 PolarHBondContact O-N 2.93Å; N217-T220 PolarHBondContact O-OG1 2.84Å |
| 218 | L | 88.6 | Confident | 87 | Confident | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.8 | -36.4 | 172.3 | -75.3 | 167 | 0 | 0 | 0 | 111.7 | V214 L215 M216 T220 K221 | V214-L218 HydrophobicContact CG1-CD1 4.01Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 3.42Å; L215-L218 PolarHBondContact O-N 3.4Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 3.26Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.33Å; L218-K221 PolarHBondContact O-N 3.22Å |
| 219 | G | 81.2 | Confident | 86.2 | Confident | 56 Ų | 56 | 110.1 Ų | 110.1 | 58% | 0.577 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.6 | -22.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L215 M216 | L215-G219 PolarHBondContact O-N 3.37Å; L215-G219 VanDerWaalsContact O-N 3.12Å; M216-G219 PolarHBondContact O-N 3.08Å |
| 220 | T | 76 | Confident | 85.4 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 66% | 0.663 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -7.9 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 2.75Å; M216-T220 PolarHBondContact O-OG1 3.15Å; N217-T220 PolarHBondContact O-OG1 2.84Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.33Å |
| 221 | K | 62.2 | Low | 84.5 | Confident | 173 Ų | 173 | 107.9 Ų | 107.9 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | trans | -98 | 4.4 | -178.4 | -76.3 | -178.4 | 179.3 | 175.7 | 0 | 114.6 | L218 | L218-K221 PolarHBondContact O-N 3.22Š| ||
| 222 | N | 49.4 | Very low | 83.4 | Confident | 208 Ų | 208 | 112.4 Ų | 112.4 | 100% | 1.112 | 61% | 0.607 | S | S | * | * | trans | -114.6 | 0 | 171.2 | -72.9 | -24.6 | 0 | 0 | 0 | 110.2 |
Retrieved 222 of 222 residues in 548.4 ms
(Link to these results)