| 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 | 31.9 | Very low | 31.5 | Very low | 248 Ų | 248 | 168.2 Ų | 168.2 | 100% | 1.222 | 87% | 0.871 | S | S | * | * | 0 | 113.8 | 0 | -79.9 | 174.6 | 171 | 0 | 0 | 108.1 | |||||
| 2 | I | 30.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 168.3 Ų | 168.3 | 78% | 0.779 | 87% | 0.872 | S | S | * | * | trans | -128 | 158.7 | 173.9 | -30.2 | 173.1 | 0 | 0 | 0 | 103.6 | ||||
| 3 | P | 43 | Very low | 31.2 | Very low | 107 Ų | 107 | 166.1 Ų | 166.1 | 70% | 0.695 | 87% | 0.871 | S | S | * | * | cis | -157.4 | 168.3 | 31.4 | 43.2 | -19.3 | 0 | 0 | 0 | 122 | ||||
| 4 | N | 29.2 | Very low | 31 | Very low | 146 Ų | 146 | 161.4 Ų | 161.4 | 78% | 0.781 | 87% | 0.868 | S | S | * | * | trans | 53.2 | 115 | 133.4 | -62.1 | -9.5 | 0 | 0 | 0 | 122.5 | ||||
| 5 | R | 28.6 | Very low | 30.9 | Very low | 244 Ų | 244 | 162.5 Ų | 162.5 | 92% | 0.921 | 87% | 0.872 | S | S | * | * | trans | -136.7 | 104.7 | 145.6 | -83.3 | -168.2 | -177.6 | -160.4 | 2.1 | 110.2 | ||||
| 6 | L | 30.5 | Very low | 30.8 | Very low | 177 Ų | 177 | 166.6 Ų | 166.6 | 93% | 0.927 | 87% | 0.872 | S | S | * | * | trans | -165.2 | 97.5 | 163.2 | -113 | 136 | 0 | 0 | 0 | 109.8 | ||||
| 7 | S | 28.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 171.3 Ų | 171.3 | 85% | 0.853 | 88% | 0.875 | S | S | * | * | trans | -177.5 | 70.4 | 142.7 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | S | 29.1 | Very low | 30.3 | Very low | 104 Ų | 104 | 170.4 Ų | 170.4 | 73% | 0.727 | 88% | 0.879 | S | S | * | * | trans | -79.9 | 143.1 | 155.5 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 9 | R | 32 | Very low | 30.2 | Very low | 232 Ų | 232 | 166.3 Ų | 166.3 | 88% | 0.875 | 87% | 0.873 | S | S | * | * | trans | 91.1 | 94.1 | 174.6 | -55.3 | 175.9 | 178 | -139 | -1.2 | 114.6 | ||||
| 10 | L | 29.7 | Very low | 30.1 | Very low | 167 Ų | 167 | 165.3 Ų | 165.3 | 87% | 0.874 | 87% | 0.874 | S | S | * | * | trans | 165.1 | 79.2 | 141.5 | -90.4 | 156 | 0 | 0 | 0 | 110.1 | ||||
| 11 | T | 33 | Very low | 29.9 | Very low | 151 Ų | 151 | 163.3 Ų | 163.3 | 93% | 0.926 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -172.8 | 45.5 | 158.8 | 33.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 12 | L | 30.2 | Very low | 29.6 | Very low | 169 Ų | 169 | 162.5 Ų | 162.5 | 89% | 0.885 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -126.4 | 21.3 | 176.9 | -124.2 | 149.5 | 0 | 0 | 0 | 113.5 | ||
| 13 | T | 29.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 161.6 Ų | 161.6 | 86% | 0.859 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -147.8 | 55.4 | -176.1 | 5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 14 | A | 28.5 | Very low | 28.4 | Very low | 100 Ų | 100 | 162.7 Ų | 162.7 | 83% | 0.826 | 87% | 0.867 | S | S | * | * | trans | -142.9 | 27.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 15 | L | 29.3 | Very low | 28.3 | Very low | 178 Ų | 178 | 160.8 Ų | 160.8 | 93% | 0.932 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -123.4 | 20.9 | -178.7 | -108.3 | 158.1 | 0 | 0 | 0 | 113.8 | ||
| 16 | R | 28.9 | Very low | 28.6 | Very low | 229 Ų | 229 | 155.5 Ų | 155.5 | 86% | 0.864 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -130.4 | 134.1 | 164.8 | -95 | 179.8 | 168.4 | -163.8 | -3.4 | 106.1 | ||
| 17 | W | 25.7 | Very low | 28.6 | Very low | 246 Ų | 246 | 152 Ų | 152 | 93% | 0.932 | 85% | 0.851 | S | S | * | * | S | Bend | trans | 98.8 | 70.6 | -175.2 | -65.3 | 83.6 | 0 | 0 | 0 | 115.6 | ||
| 18 | T | 28.2 | Very low | 28.5 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 95% | 0.951 | 85% | 0.85 | S | S | * | * | -171.5 | 68.9 | 127.2 | 40.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 19 | A | 27.5 | Very low | 28.6 | Very low | 92 Ų | 92 | 155.3 Ų | 155.3 | 76% | 0.76 | 86% | 0.858 | S | S | * | * | trans | -115.6 | 141.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 20 | V | 27.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 89% | 0.891 | 85% | 0.853 | S | S | * | * | trans | 96.6 | 84.5 | -178.9 | -166.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 21 | S | 25.7 | Very low | 28.4 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | -167.7 | 145.8 | 122.5 | 42.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 22 | R | 25.6 | Very low | 28.2 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 84% | 0.843 | S | S | * | * | trans | -95.3 | 160.4 | -159.5 | -76.1 | 175.9 | 170.9 | 176.3 | -3.3 | 112.8 | ||||
| 23 | T | 26.4 | Very low | 28.2 | Very low | 134 Ų | 134 | 144 Ų | 144 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | trans | 69.2 | 109.9 | 147.5 | 49.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 24 | C | 23.9 | Very low | 28.2 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -178.5 | 162 | 131.9 | -104 | 0 | 0 | 0 | 0 | 113 | ||||
| 25 | P | 26.6 | Very low | 28.1 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 70% | 0.695 | 83% | 0.826 | S | S | * | * | trans | -96.4 | 177.4 | -149.6 | 39.4 | -35 | 0 | 0 | 0 | 116 | S27 | P25-S27 PolarHBondContact O-N 3.32Š| ||
| 26 | P | 35.2 | Very low | 28 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -92.3 | 97.6 | -158.6 | 35.6 | -29.2 | 0 | 0 | 0 | 112.7 | ||
| 27 | S | 29.9 | Very low | 28.1 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -164.2 | 77.1 | 164.3 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | P25 | P25-S27 PolarHBondContact O-N 3.32Š| ||
| 28 | C | 27 | Very low | 28.2 | Very low | 124 Ų | 124 | 139 Ų | 139 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | 174.8 | 61.7 | 162.8 | -101.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 29 | L | 30.1 | Very low | 28 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -132.8 | 22.8 | 172.2 | -97.9 | 163.2 | 0 | 0 | 0 | 113.5 | ||||
| 30 | S | 29.2 | Very low | 28 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -100.2 | 13.5 | 178.4 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 31 | T | 28.8 | Very low | 28.1 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -133.8 | 26.6 | -171.9 | -18.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 32 | L | 29.2 | Very low | 28.2 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -128.8 | 13.8 | 171.9 | -78.8 | 169 | 0 | 0 | 0 | 114.3 | ||
| 33 | S | 29.6 | Very low | 28.2 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -94.4 | -8.8 | -179.8 | -164.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 34 | N | 28.8 | Very low | 28.1 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -107.9 | 2.8 | -171.6 | -77 | -10.5 | 0 | 0 | 0 | 115.5 | ||
| 35 | C | 28.1 | Very low | 28.3 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -104.8 | -0.3 | 178.6 | -115.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 36 | F | 27 | Very low | 28.3 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -109 | -3.3 | -179.8 | -121.3 | -89.1 | 0 | 0 | 0 | 114.5 | ||
| 37 | L | 29.7 | Very low | 28 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -99 | 3.8 | -174.8 | -101.3 | 159.5 | 0 | 0 | 0 | 114.8 | ||
| 38 | Q | 27.5 | Very low | 27.9 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -116.5 | 16.5 | -172.3 | -151.9 | 159.1 | -5.7 | 0 | 0 | 114.9 | ||
| 39 | N | 25.6 | Very low | 28 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -133 | 25.3 | -176.8 | -114 | -0.2 | 0 | 0 | 0 | 116.2 | ||
| 40 | Q | 27 | Very low | 28.1 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -125.2 | 26.5 | 172.7 | -72.7 | -160.6 | 12 | 0 | 0 | 115.3 | ||||
| 41 | T | 28.5 | Very low | 28.2 | Very low | 138 Ų | 138 | 145 Ų | 145 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -95.8 | 82.5 | 158.2 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 42 | A | 28 | Very low | 28.7 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 158.4 | 94.7 | 149 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 43 | K | 25.1 | Very low | 29.1 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | 167.1 | 139.2 | 127 | -96.7 | 172.5 | 174.6 | 176.3 | 0 | 112.2 | |||||
| 44 | S | 24.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | 76.9 | 104.8 | 160.5 | -143.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 45 | K | 29.4 | Very low | 29.7 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -60.3 | 161.9 | 145.9 | -79.2 | 174.9 | 171 | 177 | 0 | 109.9 | ||||
| 46 | D | 26.5 | Very low | 30.2 | Very low | 164 Ų | 164 | 136.7 Ų | 136.7 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 84.6 | 111.5 | 175.5 | -54.6 | -25.8 | 0 | 0 | 0 | 116.5 | ||
| 47 | G | 29.2 | Very low | 30.7 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 110.8 | 49 | 159 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 48 | F | 27.6 | Very low | 31 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 69% | 0.689 | 70% | 0.702 | S | S | * | * | trans | -136.1 | 51.9 | 178 | -124.7 | -90.9 | 0 | 0 | 0 | 114.2 | E51 | F48-E51 HydrophobicContact CE1-CB 4.1Å; F48-E51 HydrophobicContact CZ-CB 4.47Å; F48-E51 WeakPolarHBondContact CZ-OE2 3.4Å | ||
| 49 | H | 29.3 | Very low | 31.4 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.856 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -109.4 | -10.4 | 171 | -91.7 | -61.2 | 0 | 0 | 0 | 114.9 | ||
| 50 | S | 30.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -94 | -33.2 | -175.5 | -159.3 | 0 | 0 | 0 | 0 | 114.2 | S52 | S50-S52 PolarHBondContact O-N 2.79Š|
| 51 | E | 31.9 | Very low | 32.1 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 53% | 0.528 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -76.8 | -23.3 | -171.7 | -64.6 | -155.2 | 140.3 | 0 | 0 | 114.6 | F48 A53 V54 L55 | F48-E51 HydrophobicContact CE1-CB 4.1Å; F48-E51 HydrophobicContact CZ-CB 4.47Å; F48-E51 WeakPolarHBondContact CZ-OE2 3.4Å; E51-A53 VanDerWaalsContact C-N 3.27Å; E51-A53 PolarHBondContact O-N 3.04Å; E51-V54 PolarHBondContact O-N 3.5Å; E51-L55 PolarHBondContact O-N 3.21Å |
| 52 | S | 38.4 | Very low | 32.2 | Very low | 49 Ų | 49 | 122 Ų | 122 | 34% | 0.343 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72 | -19 | -177.8 | 89 | 0 | 0 | 0 | 0 | 114.2 | S50 R56 | S50-S52 PolarHBondContact O-N 2.79Å; S52-R56 WeakPolarHBondContact O-CB 3.32Å; S52-R56 PolarHBondContact O-N 3.39Å; S52-R56 PolarHBondContact O-NE 2.93Å; S52-R56 PolarHBondContact OG-NH2 2.93Å |
| 53 | A | 38 | Very low | 32.2 | Very low | 55 Ų | 55 | 123 Ų | 123 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -82.9 | -35.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E51 R57 | E51-A53 VanDerWaalsContact C-N 3.27Å; E51-A53 PolarHBondContact O-N 3.04Å; A53-R57 WeakPolarHBondContact O-CG 3.48Å; A53-R57 PolarHBondContact O-N 3.04Å |
| 54 | V | 38.1 | Very low | 32.7 | Very low | 89 Ų | 89 | 123 Ų | 123 | 54% | 0.539 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -73 | -45.1 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | E51 R56 R57 I58 | E51-V54 PolarHBondContact O-N 3.5Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.35Å; V54-R57 PolarHBondContact O-N 3Å; V54-I58 HydrophobicContact CG1-CD1 3.96Å; V54-I58 VanDerWaalsContact O-CG1 3.32Å; V54-I58 WeakPolarHBondContact O-CG1 3.4Å; V54-I58 PolarHBondContact O-N 3.43Å |
| 55 | L | 32.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62 | -37 | 176 | -107.9 | 142.4 | 0 | 0 | 0 | 112.8 | E51 I58 L59 | E51-L55 PolarHBondContact O-N 3.21Å; L55-I58 PolarHBondContact O-N 2.94Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.06Å |
| 56 | R | 39.8 | Very low | 32.8 | Very low | 165 Ų | 165 | 127 Ų | 127 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.6 | -37.6 | 174 | -92.4 | -179 | -100.1 | -129.6 | -1.4 | 113.6 | S52 V54 I58 L59 C60 | S52-R56 WeakPolarHBondContact O-CB 3.32Å; S52-R56 PolarHBondContact O-N 3.39Å; S52-R56 PolarHBondContact O-NE 2.93Å; S52-R56 PolarHBondContact OG-NH2 2.93Å; V54-R56 VanDerWaalsContact C-N 3.33Å; V54-R56 PolarHBondContact O-N 3.35Å; R56-I58 VanDerWaalsContact C-N 3.3Å; R56-I58 PolarHBondContact O-N 3.41Å; R56-L59 PolarHBondContact O-N 3.47Å; R56-C60 PolarHBondContact O-N 3.06Å |
| 57 | R | 36.2 | Very low | 32.9 | Very low | 205 Ų | 205 | 126.9 Ų | 126.9 | 77% | 0.774 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.5 | -38.3 | 172.4 | -78.3 | -179.1 | -177.8 | -176.2 | 1.4 | 111.7 | A53 V54 C60 S61 | A53-R57 WeakPolarHBondContact O-CG 3.48Å; A53-R57 PolarHBondContact O-N 3.04Å; V54-R57 PolarHBondContact O-N 3Å; R57-C60 PolarHBondContact O-N 3.49Å; R57-S61 WeakPolarHBondContact O-CB 3.12Å; R57-S61 PolarHBondContact O-N 2.8Å |
| 58 | I | 37.2 | Very low | 32.8 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 39% | 0.385 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -68.9 | -41.9 | 177.5 | -66.4 | 167.4 | 0 | 0 | 0 | 110.9 | V54 L55 R56 C60 S61 Q62 | V54-I58 HydrophobicContact CG1-CD1 3.96Å; V54-I58 VanDerWaalsContact O-CG1 3.32Å; V54-I58 WeakPolarHBondContact O-CG1 3.4Å; V54-I58 PolarHBondContact O-N 3.43Å; L55-I58 PolarHBondContact O-N 2.94Å; R56-I58 VanDerWaalsContact C-N 3.3Å; R56-I58 PolarHBondContact O-N 3.41Å; I58-C60 VanDerWaalsContact C-N 3.31Å; I58-C60 PolarHBondContact O-N 3.06Å; I58-S61 CarbonylContact O-C 3.27Å; I58-S61 WeakPolarHBondContact O-CA 3.37Å; I58-S61 WeakPolarHBondContact O-CB 3.48Å; I58-S61 PolarHBondContact O-N 3.2Å; I58-Q62 HydrophobicContact CG2-CG 3.93Å; I58-Q62 WeakPolarHBondContact O-CB 3.43Å; I58-Q62 WeakPolarHBondContact O-CG 3.34Å; I58-Q62 PolarHBondContact O-N 3.17Å |
| 59 | L | 36.6 | Very low | 32.9 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.4 | -33.4 | 176.7 | -72.7 | 167.2 | 0 | 0 | 0 | 112.8 | L55 R56 S61 | L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.06Å; R56-L59 PolarHBondContact O-N 3.47Å; L59-S61 VanDerWaalsContact C-N 3.32Å |
| 60 | C | 35.9 | Very low | 32.9 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.4 | -30.9 | 172.4 | -143.9 | 0 | 0 | 0 | 0 | 112 | R56 R57 I58 S63 | R56-C60 PolarHBondContact O-N 3.06Å; R57-C60 PolarHBondContact O-N 3.49Å; I58-C60 VanDerWaalsContact C-N 3.31Å; I58-C60 PolarHBondContact O-N 3.06Å; C60-S63 PolarHBondContact O-OG 3.3Å |
| 61 | S | 30.5 | Very low | 33 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -81.8 | -27.6 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 114.3 | R57 I58 L59 S63 | R57-S61 WeakPolarHBondContact O-CB 3.12Å; R57-S61 PolarHBondContact O-N 2.8Å; I58-S61 CarbonylContact O-C 3.27Å; I58-S61 WeakPolarHBondContact O-CA 3.37Å; I58-S61 WeakPolarHBondContact O-CB 3.48Å; I58-S61 PolarHBondContact O-N 3.2Å; L59-S61 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 3.42Å |
| 62 | Q | 29.6 | Very low | 32.9 | Very low | 142 Ų | 142 | 140 Ų | 140 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -2.2 | -171.8 | -82.1 | -163.4 | -3.4 | 0 | 0 | 115.2 | I58 R64 | I58-Q62 HydrophobicContact CG2-CG 3.93Å; I58-Q62 WeakPolarHBondContact O-CB 3.43Å; I58-Q62 WeakPolarHBondContact O-CG 3.34Å; I58-Q62 PolarHBondContact O-N 3.17Å; Q62-R64 PolarHBondContact O-N 3.44Å |
| 63 | S | 29.4 | Very low | 32.8 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 1.1 | 168.8 | 61 | 0 | 0 | 0 | 0 | 113.8 | C60 S61 | C60-S63 PolarHBondContact O-OG 3.3Å; S61-S63 PolarHBondContact O-N 3.42Å |
| 64 | R | 35.9 | Very low | 32.5 | Very low | 210 Ų | 210 | 154 Ų | 154 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | -121.8 | 53.6 | -167 | -149.9 | -171.3 | -63.9 | -157.8 | 2.1 | 113.4 | Q62 | Q62-R64 PolarHBondContact O-N 3.44Š| ||
| 65 | F | 28 | Very low | 32.4 | Very low | 187 Ų | 187 | 160.6 Ų | 160.6 | 82% | 0.82 | 74% | 0.741 | S | S | * | * | trans | -157.8 | 81.6 | 154.2 | -130.4 | -92.1 | 0 | 0 | 0 | 111.4 | L67 | F65-L67 HydrophobicContact CE1-CG 4.32Š| ||
| 66 | K | 27.4 | Very low | 32.5 | Very low | 203 Ų | 203 | 160.7 Ų | 160.7 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -110.3 | 110.1 | 161 | -130.2 | 176.5 | -174.1 | 177.8 | 0 | 106.4 | R68 | K66-R68 PolarHBondContact O-N 2.87Š| ||
| 67 | L | 27.8 | Very low | 32.2 | Very low | 160 Ų | 160 | 162.2 Ų | 162.2 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -60.4 | 106.2 | 171 | -87 | 150 | 0 | 0 | 0 | 108 | F65 | F65-L67 HydrophobicContact CE1-CG 4.32Š| ||
| 68 | R | 28.6 | Very low | 32.5 | Very low | 218 Ų | 218 | 155.8 Ų | 155.8 | 82% | 0.823 | 75% | 0.748 | S | S | * | * | trans | -85.7 | 141.6 | 172.6 | -108.2 | -175.8 | -177.5 | -172.4 | 0.2 | 109.5 | K66 | K66-R68 PolarHBondContact O-N 2.87Š| ||
| 69 | P | 28.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 159.6 Ų | 159.6 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -63.6 | 147.7 | 167.8 | -5.8 | 20.8 | 0 | 0 | 0 | 109.7 | E71 | P69-E71 VanDerWaalsContact C-N 3.35Å; P69-E71 PolarHBondContact O-N 3.31Å | ||
| 70 | R | 28.7 | Very low | 35.4 | Very low | 251 Ų | 251 | 156.5 Ų | 156.5 | 95% | 0.947 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 82 | -175.4 | -162 | 179.3 | -170 | 179.2 | 2 | 110.2 | ||||
| 71 | E | 32.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | -78.7 | 129 | 161.8 | -93 | 179.5 | 157.2 | 0 | 0 | 109.4 | P69 Q73 | P69-E71 VanDerWaalsContact C-N 3.35Å; P69-E71 PolarHBondContact O-N 3.31Å; E71-Q73 PolarHBondContact O-N 3.47Å | ||
| 72 | T | 31.5 | Very low | 40 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 90% | 0.896 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 81 | 174.1 | -48 | 0 | 0 | 0 | 0 | 109 | R74 | T72-R74 PolarHBondContact O-N 3.06Š| ||
| 73 | Q | 34.9 | Very low | 42.8 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | trans | -72.4 | 102.8 | 179.8 | -162.8 | 173.4 | 5.1 | 0 | 0 | 108.9 | E71 R75 | E71-Q73 PolarHBondContact O-N 3.47Å; Q73-R75 PolarHBondContact O-N 3.39Å | ||
| 74 | R | 33.4 | Very low | 45.5 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 70% | 0.695 | S | S | * | * | trans | -53.4 | 104.8 | 163.4 | -138.6 | 179 | -152.8 | -170.4 | 5.8 | 106.3 | T72 S76 | T72-R74 PolarHBondContact O-N 3.06Å; R74-S76 VanDerWaalsContact C-N 3.33Å; R74-S76 PolarHBondContact O-N 2.84Å | ||
| 75 | R | 34.7 | Very low | 48.1 | Very low | 229 Ų | 229 | 136.1 Ų | 136.1 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | trans | -65.4 | 94.7 | 177.9 | -76.9 | -177.9 | 175.4 | 178.2 | -1.6 | 107.6 | Q73 F77 | Q73-R75 PolarHBondContact O-N 3.39Å; R75-F77 PolarHBondContact O-N 3.22Å | ||
| 76 | S | 34.6 | Very low | 51 | Low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | trans | -65.9 | 122.2 | 160 | 67.4 | 0 | 0 | 0 | 0 | 106.3 | R74 S78 | R74-S76 VanDerWaalsContact C-N 3.33Å; R74-S76 PolarHBondContact O-N 2.84Å; S76-S78 PolarHBondContact O-N 3.22Å | ||
| 77 | F | 33.1 | Very low | 54 | Low | 198 Ų | 198 | 127.4 Ų | 127.4 | 87% | 0.868 | 64% | 0.638 | S | S | * | * | trans | -70.2 | 82 | 172.3 | -124.2 | -93.7 | 0 | 0 | 0 | 107 | R75 | R75-F77 PolarHBondContact O-N 3.22Š| ||
| 78 | S | 42.8 | Very low | 57 | Low | 70 Ų | 70 | 120.7 Ų | 120.7 | 49% | 0.49 | 61% | 0.605 | S | S | . | * | trans | -84.2 | 111.9 | 167.8 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | S76 S80 N83 | S76-S78 PolarHBondContact O-N 3.22Å; S78-S80 PolarHBondContact O-N 3.01Å; S78-N83 PolarHBondContact O-ND2 3.37Å | ||
| 79 | L | 55.8 | Low | 60.2 | Low | 154 Ų | 154 | 113.8 Ų | 113.8 | 81% | 0.806 | 59% | 0.589 | S | S | * | * | trans | -73.8 | 62.6 | 173.5 | -133.4 | 133.9 | 0 | 0 | 0 | 109 | ||||
| 80 | S | 78.6 | Confident | 63.1 | Low | 50 Ų | 50 | 112 Ų | 112 | 35% | 0.35 | 58% | 0.584 | S | S | . | * | trans | -78.2 | 138 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | S78 A82 N83 V84 | S78-S80 PolarHBondContact O-N 3.01Å; S80-A82 PolarHBondContact O-N 3.27Å; S80-A82 VanDerWaalsContact O-N 3.11Å; S80-N83 WeakPolarHBondContact O-CA 3.34Å; S80-N83 WeakPolarHBondContact O-CB 3.5Å; S80-N83 PolarHBondContact O-N 3Å; S80-V84 PolarHBondContact O-N 3.37Å | ||
| 81 | G | 80.3 | Confident | 66.1 | Low | 15 Ų | 15 | 106.7 Ų | 106.7 | 16% | 0.155 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -52.1 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N83 V84 V85 L101 | G81-N83 VanDerWaalsContact C-N 3.31Å; G81-N83 PolarHBondContact O-N 3.33Å; G81-V84 WeakPolarHBondContact O-CB 3.41Å; G81-V84 PolarHBondContact O-N 2.64Å; G81-V85 WeakPolarHBondContact O-CG2 3.42Å; G81-V85 PolarHBondContact O-N 3.44Å; G81-L101 WeakPolarHBondContact CA-O 3.35Å |
| 82 | A | 84.3 | Confident | 69 | Low | 33 Ų | 33 | 100.6 Ų | 100.6 | 27% | 0.273 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.7 | -37.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S80 V85 N86 | S80-A82 PolarHBondContact O-N 3.27Å; S80-A82 VanDerWaalsContact O-N 3.11Å; A82-V85 PolarHBondContact O-N 3.18Å; A82-N86 WeakPolarHBondContact O-CB 3.33Å; A82-N86 PolarHBondContact O-N 2.69Å; A82-N86 PolarHBondContact O-ND2 3.31Å |
| 83 | N | 86.4 | Confident | 71.9 | Confident | 79 Ų | 79 | 95.9 Ų | 95.9 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 177.5 | -68.2 | -20.3 | 0 | 0 | 0 | 111.6 | S78 S80 G81 N86 S87 | S78-N83 PolarHBondContact O-ND2 3.37Å; S80-N83 WeakPolarHBondContact O-CA 3.34Å; S80-N83 WeakPolarHBondContact O-CB 3.5Å; S80-N83 PolarHBondContact O-N 3Å; G81-N83 VanDerWaalsContact C-N 3.31Å; G81-N83 PolarHBondContact O-N 3.33Å; N83-N86 PolarHBondContact O-N 2.84Å; N83-S87 WeakPolarHBondContact O-CB 3.4Å; N83-S87 PolarHBondContact O-N 3.35Å; N83-S87 PolarHBondContact O-OG 3.06Å |
| 84 | V | 88.1 | Confident | 74.7 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 42% | 0.424 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 110 | S80 G81 S87 A88 L101 | S80-V84 PolarHBondContact O-N 3.37Å; G81-V84 WeakPolarHBondContact O-CB 3.41Å; G81-V84 PolarHBondContact O-N 2.64Å; V84-S87 PolarHBondContact O-N 2.82Å; V84-A88 PolarHBondContact O-N 2.9Å; V84-L101 HydrophobicContact CG1-CD2 4.31Å |
| 85 | V | 89.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.012 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.6 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | G81 A82 S87 A88 Q93 L96 R97 L101 D102 | G81-V85 WeakPolarHBondContact O-CG2 3.42Å; G81-V85 PolarHBondContact O-N 3.44Å; A82-V85 PolarHBondContact O-N 3.18Å; V85-S87 PolarHBondContact O-N 3.43Å; V85-A88 WeakPolarHBondContact O-CB 3.35Å; V85-A88 PolarHBondContact O-N 3.39Å; V85-Q93 HydrophobicContact CG1-CB 4.42Å; V85-Q93 WeakPolarHBondContact O-CG 3.43Å; V85-L96 HydrophobicContact CB-CB 4.5Å; V85-L96 HydrophobicContact CG1-CB 4.11Å; V85-L96 HydrophobicContact CG2-CB 3.83Å; V85-L96 HydrophobicContact CG2-CD1 4.42Å; V85-R97 HydrophobicContact CG1-CG 3.84Å; V85-L101 HydrophobicContact CG2-CB 3.95Å; V85-L101 HydrophobicContact CG2-CD2 4.3Å; V85-L101 HydrophobicContact CG2-CG 4.29Å; V85-D102 HydrophobicContact CB-CB 4.49Å; V85-D102 HydrophobicContact CG2-CB 4.04Å |
| 86 | N | 89.4 | Confident | 80.4 | Confident | 104 Ų | 104 | 70.8 Ų | 70.8 | 56% | 0.556 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.4 | -25.2 | -179.7 | -70 | -27.8 | 0 | 0 | 0 | 113.2 | A82 N83 Q93 | A82-N86 WeakPolarHBondContact O-CB 3.33Å; A82-N86 PolarHBondContact O-N 2.69Å; A82-N86 PolarHBondContact O-ND2 3.31Å; N83-N86 PolarHBondContact O-N 2.84Å; N86-Q93 PolarHBondContact O-NE2 2.81Å |
| 87 | S | 90.4 | Very high | 83.2 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 72% | 0.72 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -83.1 | -15 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | N83 V84 V85 | N83-S87 WeakPolarHBondContact O-CB 3.4Å; N83-S87 PolarHBondContact O-N 3.35Å; N83-S87 PolarHBondContact O-OG 3.06Å; V84-S87 PolarHBondContact O-N 2.82Å; V85-S87 PolarHBondContact O-N 3.43Å |
| 88 | A | 91.3 | Very high | 86.1 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -73.2 | 156.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V84 V85 Q93 L96 | V84-A88 PolarHBondContact O-N 2.9Å; V85-A88 WeakPolarHBondContact O-CB 3.35Å; V85-A88 PolarHBondContact O-N 3.39Å; A88-Q93 HydrophobicContact CB-CG 4.38Å; A88-Q93 WeakPolarHBondContact O-CG 3.49Å; A88-Q93 PolarHBondContact O-NE2 3.35Å; A88-L96 HydrophobicContact CB-CD1 3.54Å |
| 89 | P | 94.1 | Very high | 88.5 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | trans | -56 | 141.8 | 176.1 | -24 | 33.6 | 0 | 0 | 0 | 112.2 | H91 V92 Q93 | P89-H91 WeakPolarHBondContact CB-CE1 3.43Å; P89-H91 PolarHBondContact O-N 2.82Å; P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 HydrophobicContact CG-CG2 4.41Å; P89-V92 PolarHBondContact O-N 2.86Å; P89-Q93 WeakPolarHBondContact O-CG 3.46Å; P89-Q93 PolarHBondContact O-N 2.82Å | ||
| 90 | A | 91.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 66% | 0.661 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P94 | A90-P94 WeakPolarHBondContact O-CD 3.34Š|
| 91 | H | 91.3 | Very high | 90.9 | Very high | 138 Ų | 138 | 51.2 Ų | 51.2 | 64% | 0.639 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -22.2 | 178.1 | 60.1 | -90.1 | 0 | 0 | 0 | 113.7 | P89 Y95 | P89-H91 WeakPolarHBondContact CB-CE1 3.43Å; P89-H91 PolarHBondContact O-N 2.82Å; H91-Y95 WeakPolarHBondContact O-CD2 3.37Å |
| 92 | V | 92.9 | Very high | 91.2 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 29% | 0.285 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -29.7 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | P89 P94 Y95 L96 | P89-V92 HydrophobicContact CB-CG2 4.24Å; P89-V92 HydrophobicContact CG-CG2 4.41Å; P89-V92 PolarHBondContact O-N 2.86Å; V92-P94 VanDerWaalsContact C-CD 3.43Å; V92-P94 VanDerWaalsContact C-N 3.34Å; V92-Y95 WeakPolarHBondContact O-CB 3.47Å; V92-Y95 PolarHBondContact O-N 2.96Å; V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CD2 4.18Å; V92-L96 HydrophobicContact CG1-CG 3.88Å; V92-L96 PolarHBondContact O-N 3.49Å; V92-L96 VanDerWaalsContact O-N 3.1Å |
| 93 | Q | 93.4 | Very high | 91.4 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.3 | -41.4 | -177.1 | -55.3 | -173.7 | 1.1 | 0 | 0 | 114.4 | V85 N86 A88 P89 Y95 L96 R97 | V85-Q93 HydrophobicContact CG1-CB 4.42Å; V85-Q93 WeakPolarHBondContact O-CG 3.43Å; N86-Q93 PolarHBondContact O-NE2 2.81Å; A88-Q93 HydrophobicContact CB-CG 4.38Å; A88-Q93 WeakPolarHBondContact O-CG 3.49Å; A88-Q93 PolarHBondContact O-NE2 3.35Å; P89-Q93 WeakPolarHBondContact O-CG 3.46Å; P89-Q93 PolarHBondContact O-N 2.82Å; Q93-Y95 VanDerWaalsContact C-N 3.29Å; Q93-Y95 PolarHBondContact O-N 2.88Å; Q93-L96 PolarHBondContact O-N 3.06Å; Q93-R97 WeakPolarHBondContact O-CB 3.32Å; Q93-R97 WeakPolarHBondContact O-CG 3.34Å; Q93-R97 PolarHBondContact O-N 3.32Å |
| 94 | P | 93.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -38 | 176.9 | -24.1 | 35.8 | 0 | 0 | 0 | 112.5 | A90 V92 R97 L98 P169 E174 I175 | A90-P94 WeakPolarHBondContact O-CD 3.34Å; V92-P94 VanDerWaalsContact C-CD 3.43Å; V92-P94 VanDerWaalsContact C-N 3.34Å; P94-R97 PolarHBondContact O-N 3.1Å; P94-L98 VanDerWaalsContact O-CB 3.32Å; P94-L98 WeakPolarHBondContact O-CB 3.47Å; P94-L98 PolarHBondContact O-N 3.4Å; P94-P169 HydrophobicContact CB-CB 4.4Å; P94-P169 WeakPolarHBondContact O-CG 3.45Å; P94-E174 HydrophobicContact CB-CB 4.45Å; P94-I175 HydrophobicContact CB-CD1 3.74Å; P94-I175 HydrophobicContact CB-CG1 3.78Å |
| 95 | Y | 94.8 | Very high | 91.5 | Very high | 54 Ų | 54 | 53 Ų | 53 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.3 | -39.1 | 178.8 | -63.6 | -84.9 | 0 | 0 | 0 | 111.7 | H91 V92 Q93 L98 M99 I175 Q179 F183 | H91-Y95 WeakPolarHBondContact O-CD2 3.37Å; V92-Y95 WeakPolarHBondContact O-CB 3.47Å; V92-Y95 PolarHBondContact O-N 2.96Å; Q93-Y95 VanDerWaalsContact C-N 3.29Å; Q93-Y95 PolarHBondContact O-N 2.88Å; Y95-L98 WeakPolarHBondContact O-CB 3.44Å; Y95-L98 PolarHBondContact O-N 3.5Å; Y95-M99 WeakPolarHBondContact O-CG 3.36Å; Y95-M99 PolarHBondContact O-N 2.95Å; Y95-I175 HydrophobicContact CD1-CD1 3.82Å; Y95-I175 HydrophobicContact CD2-CD1 4.45Å; Y95-I175 HydrophobicContact CE1-CD1 4.01Å; Y95-I175 HydrophobicContact CE1-CG2 4.48Å; Y95-I175 HydrophobicContact CG-CD1 4.06Å; Y95-Q179 HydrophobicContact CE1-CB 4.46Å; Y95-F183 HydrophobicContact CD1-CB 4.02Å; Y95-F183 HydrophobicContact CD1-CD1 4.11Å; Y95-F183 AromaticContact CD1-CD2 3.73Å; Y95-F183 HydrophobicContact CD1-CD2 3.73Å; Y95-F183 HydrophobicContact CD1-CE2 4.18Å; Y95-F183 AromaticContact CD1-CG 3.69Å; Y95-F183 HydrophobicContact CD1-CG 3.69Å; Y95-F183 HydrophobicContact CE1-CB 4.12Å; Y95-F183 HydrophobicContact CE1-CD2 4.45Å; Y95-F183 HydrophobicContact CE1-CG 4.3Å; Y95-F183 HydrophobicContact CG-CD2 4.42Å; Y95-F183 HydrophobicContact CG-CE2 4.48Å |
| 96 | L | 93.4 | Very high | 91.5 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 175.4 | -57.6 | -179.8 | 0 | 0 | 0 | 112 | V85 A88 V92 Q93 L98 M99 R100 L101 | V85-L96 HydrophobicContact CB-CB 4.5Å; V85-L96 HydrophobicContact CG1-CB 4.11Å; V85-L96 HydrophobicContact CG2-CB 3.83Å; V85-L96 HydrophobicContact CG2-CD1 4.42Å; A88-L96 HydrophobicContact CB-CD1 3.54Å; V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CD2 4.18Å; V92-L96 HydrophobicContact CG1-CG 3.88Å; V92-L96 PolarHBondContact O-N 3.49Å; V92-L96 VanDerWaalsContact O-N 3.1Å; Q93-L96 PolarHBondContact O-N 3.06Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-M99 HydrophobicContact CD2-SD 4.15Å; L96-M99 VanDerWaalsContact O-CG 3.31Å; L96-M99 WeakPolarHBondContact O-CG 3.36Å; L96-R100 PolarHBondContact O-N 2.95Å; L96-L101 HydrophobicContact CB-CB 4.27Å; L96-L101 HydrophobicContact CB-CD2 4.34Å; L96-L101 HydrophobicContact CD1-CD2 4.3Å; L96-L101 HydrophobicContact CD2-CD2 3.96Å; L96-L101 HydrophobicContact CG-CD2 4.41Å; L96-L101 WeakPolarHBondContact O-CB 3.18Å; L96-L101 PolarHBondContact O-N 3.11Å |
| 97 | R | 93.7 | Very high | 91.6 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 171 | -74.2 | -173.8 | -77.1 | 152.6 | -1 | 111.9 | V85 Q93 P94 R100 P169 E174 | V85-R97 HydrophobicContact CG1-CG 3.84Å; Q93-R97 WeakPolarHBondContact O-CB 3.32Å; Q93-R97 WeakPolarHBondContact O-CG 3.34Å; Q93-R97 PolarHBondContact O-N 3.32Å; P94-R97 PolarHBondContact O-N 3.1Å; R97-R100 PolarHBondContact O-N 3.32Å; R97-R100 VanDerWaalsContact O-N 3.13Å; R97-R100 PolarHBondContact O-NH1 3.2Å; R97-P169 HydrophobicContact CB-CG 4Å; R97-E174 IonicContact CZ-OE1 3.37Å; R97-E174 IonicContact CZ-OE2 3.12Å; R97-E174 VanDerWaalsContact CZ-OE2 3.31Å; R97-E174 IonicContact NH1-OE1 2.97Å; R97-E174 PolarHBondContact NH1-OE1 2.9Å; R97-E174 IonicContact NH1-OE2 3.43Å; R97-E174 PolarHBondContact NH1-OE2 2.85Å; R97-E174 IonicContact NH2-OE1 3.31Å; R97-E174 IonicContact NH2-OE2 2.77Å; R97-E174 PolarHBondContact NH2-OE2 3.38Å |
| 98 | L | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 177.7 | -179.2 | 58.1 | 0 | 0 | 0 | 111.1 | P94 Y95 L96 R100 C148 T149 D152 P169 I170 I175 F183 | P94-L98 VanDerWaalsContact O-CB 3.32Å; P94-L98 WeakPolarHBondContact O-CB 3.47Å; P94-L98 PolarHBondContact O-N 3.4Å; Y95-L98 WeakPolarHBondContact O-CB 3.44Å; Y95-L98 PolarHBondContact O-N 3.5Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 3.3Å; L98-C148 WeakPolarHBondContact O-CB 3.19Å; L98-T149 HydrophobicContact CD2-CG2 4.07Å; L98-T149 HydrophobicContact CG-CG2 4.49Å; L98-D152 HydrophobicContact CD1-CB 3.94Å; L98-P169 HydrophobicContact CB-CG 4.23Å; L98-I170 HydrophobicContact CD1-CD1 3.72Å; L98-I170 HydrophobicContact CD1-CG1 3.93Å; L98-I170 HydrophobicContact CD2-CD1 4.19Å; L98-I170 HydrophobicContact CD2-CG1 4.41Å; L98-I175 HydrophobicContact CB-CD1 4.2Å; L98-I175 HydrophobicContact CD2-CD1 3.81Å; L98-F183 HydrophobicContact CD2-CD1 3.99Å; L98-F183 HydrophobicContact CD2-CE1 4.38Å |
| 99 | M | 93.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 6.4 | 174.8 | 71.1 | 179.7 | -64.8 | 0 | 0 | 114.6 | Y95 L96 L101 L141 F183 | Y95-M99 WeakPolarHBondContact O-CG 3.36Å; Y95-M99 PolarHBondContact O-N 2.95Å; L96-M99 HydrophobicContact CD2-SD 4.15Å; L96-M99 VanDerWaalsContact O-CG 3.31Å; L96-M99 WeakPolarHBondContact O-CG 3.36Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 HydrophobicContact CG-CB 4.23Å; M99-L101 PolarHBondContact O-N 3.48Å; M99-L141 HydrophobicContact CE-CD1 3.76Å; M99-L141 HydrophobicContact CE-CD2 4.33Å; M99-L141 HydrophobicContact CE-CG 3.73Å; M99-F183 HydrophobicContact CB-CE1 4.27Å; M99-F183 HydrophobicContact CB-CZ 4.41Å; M99-F183 HydrophobicContact SD-CZ 4.21Å |
| 100 | R | 93.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 14% | 0.143 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 33.7 | 179.7 | -56.7 | -64.5 | -176.1 | -103.5 | -9 | 114.7 | L96 R97 L98 D102 K103 C148 D152 | L96-R100 PolarHBondContact O-N 2.95Å; R97-R100 PolarHBondContact O-N 3.32Å; R97-R100 VanDerWaalsContact O-N 3.13Å; R97-R100 PolarHBondContact O-NH1 3.2Å; L98-R100 PolarHBondContact O-N 3.3Å; R100-D102 WeakPolarHBondContact CA-OD1 3.23Å; R100-D102 PolarHBondContact O-N 2.74Å; R100-K103 CarbonylContact O-C 3.5Å; R100-K103 PolarHBondContact O-N 3.06Å; R100-C148 HydrophobicContact CG-CB 4.04Å; R100-C148 VanDerWaalsContact CG-SG 3.52Å; R100-D152 IonicContact CZ-OD1 3.93Å; R100-D152 IonicContact CZ-OD2 3.45Å; R100-D152 IonicContact NH1-OD2 3.61Å; R100-D152 PolarHBondContact NH1-OD2 3.32Å; R100-D152 IonicContact NH2-OD1 2.81Å; R100-D152 PolarHBondContact NH2-OD1 2.94Å; R100-D152 IonicContact NH2-OD2 3.46Å; R100-D152 PolarHBondContact NH2-OD2 2.98Å |
| 101 | L | 90.9 | Very high | 91.8 | Very high | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.6 | 175.1 | -166.7 | 70.4 | 0 | 0 | 0 | 112.1 | G81 V84 V85 L96 M99 K103 L141 | G81-L101 WeakPolarHBondContact CA-O 3.35Å; V84-L101 HydrophobicContact CG1-CD2 4.31Å; V85-L101 HydrophobicContact CG2-CB 3.95Å; V85-L101 HydrophobicContact CG2-CD2 4.3Å; V85-L101 HydrophobicContact CG2-CG 4.29Å; L96-L101 HydrophobicContact CB-CB 4.27Å; L96-L101 HydrophobicContact CB-CD2 4.34Å; L96-L101 HydrophobicContact CD1-CD2 4.3Å; L96-L101 HydrophobicContact CD2-CD2 3.96Å; L96-L101 HydrophobicContact CG-CD2 4.41Å; L96-L101 WeakPolarHBondContact O-CB 3.18Å; L96-L101 PolarHBondContact O-N 3.11Å; M99-L101 VanDerWaalsContact C-N 3.31Å; M99-L101 HydrophobicContact CG-CB 4.23Å; M99-L101 PolarHBondContact O-N 3.48Å; L101-K103 PolarHBondContact O-N 3.42Å; L101-L141 HydrophobicContact CD1-CD1 3.74Å |
| 102 | D | 88 | Confident | 91.8 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.8 | 172.1 | 63.1 | -55 | 0 | 0 | 0 | 113 | V85 R100 | V85-D102 HydrophobicContact CB-CB 4.49Å; V85-D102 HydrophobicContact CG2-CB 4.04Å; R100-D102 WeakPolarHBondContact CA-OD1 3.23Å; R100-D102 PolarHBondContact O-N 2.74Å |
| 103 | K | 87.1 | Confident | 91.8 | Very high | 123 Ų | 123 | 36.4 Ų | 36.4 | 54% | 0.535 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -129.4 | 74 | -176.9 | -66.7 | 176.1 | -171.3 | -177.7 | 0 | 110.7 | R100 L101 I105 | R100-K103 CarbonylContact O-C 3.5Å; R100-K103 PolarHBondContact O-N 3.06Å; L101-K103 PolarHBondContact O-N 3.42Å; K103-I105 PolarHBondContact O-N 2.9Å |
| 104 | P | 88.1 | Confident | 91.8 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 29% | 0.292 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -4.2 | -166.2 | 29.8 | -37.4 | 0 | 0 | 0 | 115.2 | G106 T107 W108 | P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 3.17Å; P104-T107 WeakPolarHBondContact O-CA 3.34Å; P104-T107 WeakPolarHBondContact O-CB 3.47Å; P104-T107 PolarHBondContact O-N 3.23Å; P104-W108 VanDerWaalsContact O-CD1 3.23Å; P104-W108 PolarHBondContact O-N 3.11Å |
| 105 | I | 88.3 | Confident | 91.8 | Very high | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.138 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.5 | -41.3 | -176.2 | -68.6 | 168.4 | 0 | 0 | 0 | 111.9 | K103 T107 W108 L109 H355 C358 | K103-I105 PolarHBondContact O-N 2.9Å; I105-T107 VanDerWaalsContact C-N 3.25Å; I105-T107 PolarHBondContact O-N 3.46Å; I105-W108 PolarHBondContact O-N 3Å; I105-L109 HydrophobicContact CG2-CD1 4.04Å; I105-L109 HydrophobicContact CG2-CG 4.3Å; I105-L109 WeakPolarHBondContact O-CG 3.27Å; I105-L109 PolarHBondContact O-N 2.95Å; I105-H355 WeakPolarHBondContact CD1-CD2 2.92Å; I105-H355 WeakPolarHBondContact CD1-CE1 3.35Å; I105-H355 WeakPolarHBondContact CD1-NE2 3.34Å; I105-C358 HydrophobicContact CG2-CB 4.25Å |
| 106 | G | 89.5 | Confident | 91.6 | Very high | 11 Ų | 11 | 32 Ų | 32 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -32.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P104 L110 | P104-G106 VanDerWaalsContact C-N 3.26Å; P104-G106 PolarHBondContact O-N 3.17Å; G106-L110 PolarHBondContact O-N 3.24Å |
| 107 | T | 92.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 10% | 0.104 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.6 | -42.8 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | P104 I105 L109 L110 Y111 A140 L141 | P104-T107 WeakPolarHBondContact O-CA 3.34Å; P104-T107 WeakPolarHBondContact O-CB 3.47Å; P104-T107 PolarHBondContact O-N 3.23Å; I105-T107 VanDerWaalsContact C-N 3.25Å; I105-T107 PolarHBondContact O-N 3.46Å; T107-L109 VanDerWaalsContact C-N 3.35Å; T107-L109 PolarHBondContact O-N 2.86Å; T107-L110 PolarHBondContact O-N 3.41Å; T107-Y111 WeakPolarHBondContact O-CB 3.31Å; T107-Y111 PolarHBondContact O-N 3Å; T107-A140 HydrophobicContact CG2-CB 4.41Å; T107-L141 HydrophobicContact CG2-CB 4.05Å; T107-L141 HydrophobicContact CG2-CD1 4.07Å |
| 108 | W | 91.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 27.3 Ų | 27.3 | 42% | 0.417 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.3 | -72.2 | 117.8 | 0 | 0 | 0 | 112.6 | P104 I105 L110 Y111 L112 L362 | P104-W108 VanDerWaalsContact O-CD1 3.23Å; P104-W108 PolarHBondContact O-N 3.11Å; I105-W108 PolarHBondContact O-N 3Å; W108-L110 VanDerWaalsContact C-N 3.27Å; W108-L110 PolarHBondContact O-N 3.29Å; W108-Y111 AromaticContact CE3-CD1 3.78Å; W108-Y111 HydrophobicContact CE3-CD1 3.78Å; W108-Y111 HydrophobicContact CE3-CE1 4.48Å; W108-Y111 AromaticContact CZ3-CD1 3.64Å; W108-Y111 HydrophobicContact CZ3-CD1 3.64Å; W108-Y111 AromaticContact CZ3-CE1 3.9Å; W108-Y111 HydrophobicContact CZ3-CE1 3.9Å; W108-Y111 PolarHBondContact O-N 3.1Å; W108-Y111 VanDerWaalsContact O-N 3.14Å; W108-L112 WeakPolarHBondContact O-CB 3.39Å; W108-L112 WeakPolarHBondContact O-CG 3.31Å; W108-L112 PolarHBondContact O-N 2.9Å; W108-L362 HydrophobicContact CB-CD1 4.06Å; W108-L362 HydrophobicContact CB-CD2 4.02Å; W108-L362 HydrophobicContact CD2-CD1 4.25Å; W108-L362 HydrophobicContact CD2-CD2 3.72Å; W108-L362 HydrophobicContact CE3-CD2 3.41Å; W108-L362 VanDerWaalsContact CE3-CD2 3.41Å; W108-L362 HydrophobicContact CG-CD1 3.91Å; W108-L362 HydrophobicContact CG-CD2 3.99Å; W108-L362 HydrophobicContact CZ3-CD2 4.12Å |
| 109 | L | 91.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -34.2 | 177 | -71.2 | 173.2 | 0 | 0 | 0 | 112.8 | I105 T107 P113 F234 W264 Y268 | I105-L109 HydrophobicContact CG2-CD1 4.04Å; I105-L109 HydrophobicContact CG2-CG 4.3Å; I105-L109 WeakPolarHBondContact O-CG 3.27Å; I105-L109 PolarHBondContact O-N 2.95Å; T107-L109 VanDerWaalsContact C-N 3.35Å; T107-L109 PolarHBondContact O-N 2.86Å; L109-P113 WeakPolarHBondContact O-CD 3.45Å; L109-F234 HydrophobicContact CB-CD2 4.07Å; L109-F234 HydrophobicContact CB-CE2 4.13Å; L109-W264 HydrophobicContact CD2-CH2 3.76Å; L109-W264 HydrophobicContact CD2-CZ2 4.19Å; L109-W264 HydrophobicContact CD2-CZ3 4.24Å; L109-Y268 HydrophobicContact CD1-CD2 4.22Å; L109-Y268 HydrophobicContact CD1-CE2 3.69Å; L109-Y268 HydrophobicContact CD2-CD1 4.2Å; L109-Y268 HydrophobicContact CD2-CE1 3.72Å; L109-Y268 HydrophobicContact CD2-CE2 4.28Å |
| 110 | L | 92.9 | Very high | 91.3 | Very high | 29 Ų | 29 | 26.7 Ų | 26.7 | 15% | 0.152 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.3 | -31.3 | 174.8 | -172.2 | 62.9 | 0 | 0 | 0 | 112.2 | G106 T107 W108 C114 A140 M143 R144 F234 | G106-L110 PolarHBondContact O-N 3.24Å; T107-L110 PolarHBondContact O-N 3.41Å; W108-L110 VanDerWaalsContact C-N 3.27Å; W108-L110 PolarHBondContact O-N 3.29Å; L110-C114 PolarHBondContact O-SG 3.48Å; L110-C114 VanDerWaalsContact O-SG 3.38Å; L110-A140 HydrophobicContact CB-CB 4.38Å; L110-A140 HydrophobicContact CD2-CB 4.28Å; L110-A140 HydrophobicContact CG-CB 4.24Å; L110-M143 HydrophobicContact CD2-CB 4.11Å; L110-R144 HydrophobicContact CD2-CB 4.17Å; L110-F234 HydrophobicContact CD1-CB 4.49Å; L110-F234 HydrophobicContact CD1-CD1 4.34Å; L110-F234 HydrophobicContact CD1-CG 4.33Å |
| 111 | Y | 94.2 | Very high | 91.2 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 13% | 0.133 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -81.6 | -37.2 | -176.6 | 180 | -128.6 | 0 | 0 | 0 | 113.4 | T107 W108 C114 T115 L133 F136 G137 A140 | T107-Y111 WeakPolarHBondContact O-CB 3.31Å; T107-Y111 PolarHBondContact O-N 3Å; W108-Y111 AromaticContact CE3-CD1 3.78Å; W108-Y111 HydrophobicContact CE3-CD1 3.78Å; W108-Y111 HydrophobicContact CE3-CE1 4.48Å; W108-Y111 AromaticContact CZ3-CD1 3.64Å; W108-Y111 HydrophobicContact CZ3-CD1 3.64Å; W108-Y111 AromaticContact CZ3-CE1 3.9Å; W108-Y111 HydrophobicContact CZ3-CE1 3.9Å; W108-Y111 PolarHBondContact O-N 3.1Å; W108-Y111 VanDerWaalsContact O-N 3.14Å; Y111-C114 HydrophobicContact CD2-CB 4.48Å; Y111-C114 WeakPolarHBondContact O-CA 3.42Å; Y111-C114 WeakPolarHBondContact O-CB 3.21Å; Y111-C114 PolarHBondContact O-N 2.94Å; Y111-T115 HydrophobicContact CD1-CG2 3.83Å; Y111-T115 HydrophobicContact CD2-CG2 3.93Å; Y111-T115 HydrophobicContact CE1-CG2 3.38Å; Y111-T115 HydrophobicContact CE2-CG2 3.46Å; Y111-T115 VanDerWaalsContact CE2-CG2 3.46Å; Y111-T115 HydrophobicContact CG-CG2 4.09Å; Y111-T115 PolarHBondContact O-N 3.45Å; Y111-T115 VanDerWaalsContact O-N 3.09Å; Y111-T115 WeakPolarHBondContact OH-CG2 3.24Å; Y111-L133 WeakPolarHBondContact CE2-O 3.34Å; Y111-L133 WeakPolarHBondContact OH-CB 3.41Å; Y111-L133 PolarHBondContact OH-O 3.46Å; Y111-L133 VanDerWaalsContact OH-O 3.05Å; Y111-F136 HydrophobicContact CD2-CB 4.31Å; Y111-F136 HydrophobicContact CE2-CB 4.03Å; Y111-G137 VanDerWaalsContact CE2-CA 3.47Å; Y111-G137 VanDerWaalsContact CE2-N 3.26Å; Y111-A140 HydrophobicContact CD2-CB 4.41Å |
| 112 | L | 91.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.3 | -49.3 | -174.7 | -84.8 | 171.9 | 0 | 0 | 0 | 114 | W108 C114 T115 W116 W264 I361 L362 | W108-L112 WeakPolarHBondContact O-CB 3.39Å; W108-L112 WeakPolarHBondContact O-CG 3.31Å; W108-L112 PolarHBondContact O-N 2.9Å; L112-C114 PolarHBondContact O-N 3.45Å; L112-T115 PolarHBondContact O-N 3.24Å; L112-T115 PolarHBondContact O-OG1 3.28Å; L112-W116 HydrophobicContact CB-CZ2 4.08Å; L112-W116 VanDerWaalsContact O-CG 3.24Å; L112-W116 PolarHBondContact O-N 3.01Å; L112-W116 PolarHBondContact O-NE1 2.73Å; L112-W264 HydrophobicContact CB-CZ3 4.47Å; L112-W264 HydrophobicContact CD1-CH2 3.61Å; L112-W264 HydrophobicContact CD1-CZ3 4.05Å; L112-I361 HydrophobicContact CD1-CG2 4.33Å; L112-L362 HydrophobicContact CD1-CD2 3.87Å; L112-L362 HydrophobicContact CD1-CG 4.01Å; L112-L362 HydrophobicContact CD2-CD2 3.74Å; L112-L362 HydrophobicContact CD2-CG 4.48Å; L112-L362 HydrophobicContact CG-CD2 3.85Å |
| 113 | P | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.9 | -34.4 | 177.5 | -24.9 | 35.5 | 0 | 0 | 0 | 112.7 | L109 S117 N235 A238 | L109-P113 WeakPolarHBondContact O-CD 3.45Å; P113-S117 WeakPolarHBondContact O-CB 3.28Å; P113-S117 PolarHBondContact O-N 3.18Å; P113-N235 HydrophobicContact CB-CB 4.48Å; P113-N235 HydrophobicContact CG-CB 4.44Å; P113-N235 WeakPolarHBondContact CG-OD1 3.38Å; P113-A238 HydrophobicContact CB-CB 4.13Å; P113-A238 WeakPolarHBondContact O-CA 3.49Å |
| 114 | C | 94 | Very high | 90.8 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 173.4 | -47.5 | 0 | 0 | 0 | 0 | 110.8 | L110 Y111 L112 W116 S117 I118 F136 G237 | L110-C114 PolarHBondContact O-SG 3.48Å; L110-C114 VanDerWaalsContact O-SG 3.38Å; Y111-C114 HydrophobicContact CD2-CB 4.48Å; Y111-C114 WeakPolarHBondContact O-CA 3.42Å; Y111-C114 WeakPolarHBondContact O-CB 3.21Å; Y111-C114 PolarHBondContact O-N 2.94Å; L112-C114 PolarHBondContact O-N 3.45Å; C114-W116 PolarHBondContact O-N 3.49Å; C114-S117 PolarHBondContact O-N 2.96Å; C114-I118 WeakPolarHBondContact O-CB 3Å; C114-I118 WeakPolarHBondContact O-CD1 3.31Å; C114-I118 VanDerWaalsContact O-CG1 3.22Å; C114-I118 WeakPolarHBondContact O-CG1 3.14Å; C114-I118 PolarHBondContact O-N 3.36Å; C114-F136 HydrophobicContact CB-CB 4.09Å; C114-F136 HydrophobicContact CB-CD1 3.47Å; C114-F136 VanDerWaalsContact CB-CD1 3.47Å; C114-F136 HydrophobicContact CB-CE1 4.15Å; C114-F136 HydrophobicContact CB-CG 4.06Å; C114-F136 VanDerWaalsContact SG-CD1 3.58Å; C114-G237 WeakPolarHBondContact SG-CA 3.12Å |
| 115 | T | 92.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 113 | Y111 L112 S117 A119 L133 | Y111-T115 HydrophobicContact CD1-CG2 3.83Å; Y111-T115 HydrophobicContact CD2-CG2 3.93Å; Y111-T115 HydrophobicContact CE1-CG2 3.38Å; Y111-T115 HydrophobicContact CE2-CG2 3.46Å; Y111-T115 VanDerWaalsContact CE2-CG2 3.46Å; Y111-T115 HydrophobicContact CG-CG2 4.09Å; Y111-T115 PolarHBondContact O-N 3.45Å; Y111-T115 VanDerWaalsContact O-N 3.09Å; Y111-T115 WeakPolarHBondContact OH-CG2 3.24Å; L112-T115 PolarHBondContact O-N 3.24Å; L112-T115 PolarHBondContact O-OG1 3.28Å; T115-S117 VanDerWaalsContact C-N 3.3Å; T115-S117 PolarHBondContact O-N 3.23Å; T115-A119 VanDerWaalsContact O-CB 3.24Å; T115-A119 WeakPolarHBondContact O-CB 3.48Å; T115-A119 PolarHBondContact O-N 3.25Å; T115-L133 HydrophobicContact CG2-CD2 3.82Å |
| 116 | W | 91.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 177.5 | -55.1 | -15.4 | 0 | 0 | 0 | 110.9 | L112 C114 A119 L120 L257 W264 I361 F365 | L112-W116 HydrophobicContact CB-CZ2 4.08Å; L112-W116 VanDerWaalsContact O-CG 3.24Å; L112-W116 PolarHBondContact O-N 3.01Å; L112-W116 PolarHBondContact O-NE1 2.73Å; C114-W116 PolarHBondContact O-N 3.49Å; W116-A119 PolarHBondContact O-N 2.83Å; W116-L120 WeakPolarHBondContact O-CB 2.92Å; W116-L120 WeakPolarHBondContact O-CG 3.3Å; W116-L120 PolarHBondContact O-N 3.13Å; W116-L257 HydrophobicContact CB-CD1 4.27Å; W116-L257 HydrophobicContact CE3-CD1 4.26Å; W116-W264 HydrophobicContact CH2-CD2 4.23Å; W116-W264 AromaticContact CH2-CE3 3.4Å; W116-W264 HydrophobicContact CH2-CE3 3.4Å; W116-W264 VanDerWaalsContact CH2-CE3 3.4Å; W116-W264 HydrophobicContact CH2-CH2 4.31Å; W116-W264 AromaticContact CH2-CZ3 3.43Å; W116-W264 HydrophobicContact CH2-CZ3 3.43Å; W116-W264 VanDerWaalsContact CH2-CZ3 3.43Å; W116-W264 HydrophobicContact CZ2-CE3 4.22Å; W116-W264 HydrophobicContact CZ2-CH2 4.35Å; W116-W264 AromaticContact CZ2-CZ3 3.79Å; W116-W264 HydrophobicContact CZ2-CZ3 3.79Å; W116-W264 HydrophobicContact CZ3-CE3 4.16Å; W116-W264 HydrophobicContact CZ3-CZ3 4.41Å; W116-I361 HydrophobicContact CH2-CG2 4.45Å; W116-I361 HydrophobicContact CZ2-CG2 3.82Å; W116-F365 HydrophobicContact CD2-CD1 4.3Å; W116-F365 AromaticContact CE2-CD1 3.96Å; W116-F365 AromaticContact CE2-CG 3.95Å; W116-F365 HydrophobicContact CG-CD1 4.32Å; W116-F365 HydrophobicContact CZ2-CB 4.16Å; W116-F365 HydrophobicContact CZ2-CD1 4.4Å; W116-F365 HydrophobicContact CZ2-CD2 4.42Å; W116-F365 HydrophobicContact CZ2-CG 4.12Å; W116-F365 AromaticContact NE1-CD1 3.86Å; W116-F365 AromaticContact NE1-CG 3.77Å |
| 117 | S | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.3 | -45.2 | -179.8 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | P113 C114 T115 A119 L120 A121 A238 W242 | P113-S117 WeakPolarHBondContact O-CB 3.28Å; P113-S117 PolarHBondContact O-N 3.18Å; C114-S117 PolarHBondContact O-N 2.96Å; T115-S117 VanDerWaalsContact C-N 3.3Å; T115-S117 PolarHBondContact O-N 3.23Å; S117-A119 VanDerWaalsContact C-N 3.32Å; S117-A119 PolarHBondContact O-N 3.39Å; S117-L120 PolarHBondContact O-N 3.26Å; S117-A121 VanDerWaalsContact O-CB 3.22Å; S117-A121 WeakPolarHBondContact O-CB 3.37Å; S117-A121 PolarHBondContact O-N 3.43Å; S117-A238 VanDerWaalsContact CB-O 3.24Å; S117-A238 WeakPolarHBondContact CB-O 3.5Å; S117-A238 PolarHBondContact OG-O 2.93Å; S117-W242 VanDerWaalsContact OG-CB 3.3Å; S117-W242 WeakPolarHBondContact OG-CB 3.36Å; S117-W242 PolarHBondContact OG-N 3.26Å |
| 118 | I | 93.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175 | -67.1 | 163.8 | 0 | 0 | 0 | 110.6 | C114 A121 A122 P128 M132 L133 F136 V245 | C114-I118 WeakPolarHBondContact O-CB 3Å; C114-I118 WeakPolarHBondContact O-CD1 3.31Å; C114-I118 VanDerWaalsContact O-CG1 3.22Å; C114-I118 WeakPolarHBondContact O-CG1 3.14Å; C114-I118 PolarHBondContact O-N 3.36Å; I118-A121 PolarHBondContact O-N 2.97Å; I118-A122 PolarHBondContact O-N 2.8Å; I118-A122 VanDerWaalsContact O-N 3.15Å; I118-P128 HydrophobicContact CG2-CB 3.87Å; I118-M132 HydrophobicContact CD1-CB 4.36Å; I118-M132 HydrophobicContact CG2-CB 4.37Å; I118-L133 HydrophobicContact CB-CD2 4.42Å; I118-L133 HydrophobicContact CD1-CD2 4.23Å; I118-L133 HydrophobicContact CG2-CD2 4.16Å; I118-L133 HydrophobicContact CG2-CG 4.49Å; I118-F136 HydrophobicContact CD1-CB 4.21Å; I118-F136 HydrophobicContact CD1-CD1 4.49Å; I118-F136 HydrophobicContact CD1-CD2 3.7Å; I118-F136 HydrophobicContact CD1-CE2 4.11Å; I118-F136 HydrophobicContact CD1-CG 3.89Å; I118-V245 HydrophobicContact CB-CG2 4.4Å; I118-V245 HydrophobicContact CG1-CG2 4.33Å; I118-V245 HydrophobicContact CG2-CG2 4.02Å |
| 119 | A | 90.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -50.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T115 W116 S117 A121 A122 P128 V372 | T115-A119 VanDerWaalsContact O-CB 3.24Å; T115-A119 WeakPolarHBondContact O-CB 3.48Å; T115-A119 PolarHBondContact O-N 3.25Å; W116-A119 PolarHBondContact O-N 2.83Å; S117-A119 VanDerWaalsContact C-N 3.32Å; S117-A119 PolarHBondContact O-N 3.39Å; A119-A121 PolarHBondContact O-N 3.24Å; A119-A122 VanDerWaalsContact O-CB 3.29Å; A119-A122 WeakPolarHBondContact O-CB 3.5Å; A119-A122 PolarHBondContact O-N 3.07Å; A119-P128 HydrophobicContact CB-CG 4.48Å; A119-V372 WeakPolarHBondContact O-CG2 3.32Å |
| 120 | L | 90.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -26.7 | 179.3 | -74.1 | 171.4 | 0 | 0 | 0 | 113.6 | W116 S117 W242 L257 A318 Q320 Y324 R374 | W116-L120 WeakPolarHBondContact O-CB 2.92Å; W116-L120 WeakPolarHBondContact O-CG 3.3Å; W116-L120 PolarHBondContact O-N 3.13Å; S117-L120 PolarHBondContact O-N 3.26Å; L120-W242 VanDerWaalsContact C-CZ3 3.44Å; L120-W242 HydrophobicContact CB-CE3 4.32Å; L120-W242 HydrophobicContact CB-CZ3 3.94Å; L120-W242 VanDerWaalsContact O-CZ3 3.27Å; L120-W242 WeakPolarHBondContact O-CZ3 3.12Å; L120-L257 HydrophobicContact CD1-CD1 4.07Å; L120-L257 HydrophobicContact CD1-CD2 4Å; L120-A318 HydrophobicContact CD2-CB 4.07Å; L120-Q320 HydrophobicContact CD2-CG 3.78Å; L120-Y324 HydrophobicContact CD2-CE2 4.43Å; L120-R374 PolarHBondContact O-NH2 3.42Å |
| 121 | A | 92.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -82.6 | -12.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S117 I118 A119 W242 V245 K246 | S117-A121 VanDerWaalsContact O-CB 3.22Å; S117-A121 WeakPolarHBondContact O-CB 3.37Å; S117-A121 PolarHBondContact O-N 3.43Å; I118-A121 PolarHBondContact O-N 2.97Å; A119-A121 PolarHBondContact O-N 3.24Å; A121-W242 HydrophobicContact CB-CB 4.33Å; A121-W242 HydrophobicContact CB-CD2 3.71Å; A121-W242 HydrophobicContact CB-CE3 3.55Å; A121-W242 HydrophobicContact CB-CG 4.07Å; A121-W242 HydrophobicContact CB-CZ3 4.08Å; A121-V245 HydrophobicContact CB-CB 3.84Å; A121-V245 HydrophobicContact CB-CG1 3.96Å; A121-V245 HydrophobicContact CB-CG2 4.22Å; A121-K246 HydrophobicContact CB-CG 4.31Å; A121-K246 WeakPolarHBondContact O-CE 3.39Å |
| 122 | A | 89.8 | Confident | 89.5 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -64.3 | 152.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I118 A119 V372 | I118-A122 PolarHBondContact O-N 2.8Å; I118-A122 VanDerWaalsContact O-N 3.15Å; A119-A122 VanDerWaalsContact O-CB 3.29Å; A119-A122 WeakPolarHBondContact O-CB 3.5Å; A119-A122 PolarHBondContact O-N 3.07Å; A122-V372 HydrophobicContact CB-CG2 4.44Å |
| 123 | E | 85.6 | Confident | 89.6 | Confident | 110 Ų | 110 | 38.4 Ų | 38.4 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 148.8 | 175.7 | -65.6 | -58.1 | 153.4 | 0 | 0 | 111.3 | G125 C126 K246 | E123-G125 PolarHBondContact O-N 2.72Å; E123-C126 HydrophobicContact CB-CB 4.27Å; E123-C126 WeakPolarHBondContact O-CB 3.42Å; E123-C126 PolarHBondContact O-N 2.78Å; E123-K246 IonicContact OE1-NZ 2.63Å; E123-K246 PolarHBondContact OE1-NZ 3.13Å; E123-K246 IonicContact OE2-NZ 3.65Å |
| 124 | P | 82.4 | Confident | 89.8 | Confident | 70 Ų | 70 | 41 Ų | 41 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 130.8 | 175 | -27.6 | 34.1 | 0 | 0 | 0 | 112.7 | C126 R374 | P124-C126 PolarHBondContact O-N 3.33Å; P124-R374 HydrophobicContact CB-CB 3.78Å; P124-R374 HydrophobicContact CG-CB 4.05Å |
| 125 | G | 78.1 | Confident | 89.9 | Confident | 67 Ų | 67 | 43 Ų | 43 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 0.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E123 V372 | E123-G125 PolarHBondContact O-N 2.72Å; G125-V372 PolarHBondContact N-O 3.2Å; G125-V372 VanDerWaalsContact N-O 3.11Å |
| 126 | C | 83.2 | Confident | 90.1 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 147.6 | 179.1 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | E123 P124 | E123-C126 HydrophobicContact CB-CB 4.27Å; E123-C126 WeakPolarHBondContact O-CB 3.42Å; E123-C126 PolarHBondContact O-N 2.78Å; P124-C126 PolarHBondContact O-N 3.33Å |
| 127 | L | 84.6 | Confident | 90.3 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 67% | 0.665 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 149.6 | 168.9 | -68.2 | 176.7 | 0 | 0 | 0 | 110.3 | I371 | L127-I371 HydrophobicContact CD2-CG1 4.31Š|
| 128 | P | 86.6 | Confident | 90.4 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 7% | 0.071 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 141.6 | 173.6 | 21.8 | -31.3 | 0 | 0 | 0 | 111.4 | I118 A119 V130 L133 P367 | I118-P128 HydrophobicContact CG2-CB 3.87Å; A119-P128 HydrophobicContact CB-CG 4.48Å; P128-V130 PolarHBondContact O-N 3.19Å; P128-L133 HydrophobicContact CB-CD1 4.09Å; P128-L133 HydrophobicContact CB-CG 4.39Å; P128-L133 HydrophobicContact CG-CD1 3.96Å; P128-P367 HydrophobicContact CG-CB 3.7Å |
| 129 | D | 88.9 | Confident | 90.6 | Very high | 97 Ų | 97 | 48 Ų | 48 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 120.2 | -179.1 | -179.5 | -98.3 | 0 | 0 | 0 | 111.3 | G131 M132 L133 | D129-G131 PolarHBondContact O-N 2.96Å; D129-G131 VanDerWaalsContact OD1-CA 3.26Å; D129-G131 WeakPolarHBondContact OD1-CA 3.22Å; D129-G131 PolarHBondContact OD1-N 2.92Å; D129-M132 HydrophobicContact CB-CB 4.16Å; D129-M132 HydrophobicContact CB-CG 4.12Å; D129-M132 PolarHBondContact O-N 3.43Å; D129-M132 WeakPolarHBondContact OD1-CG 3.44Å; D129-M132 PolarHBondContact OD1-N 2.77Å; D129-L133 WeakPolarHBondContact O-CG 3.22Å; D129-L133 PolarHBondContact O-N 2.97Å |
| 130 | V | 90.8 | Very high | 90.8 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 69% | 0.685 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.2 | -31.4 | -176.3 | 179.8 | 0 | 0 | 0 | 0 | 111 | P128 L133 A134 | P128-V130 PolarHBondContact O-N 3.19Å; V130-L133 PolarHBondContact O-N 2.79Å; V130-A134 WeakPolarHBondContact O-CB 3.42Å; V130-A134 PolarHBondContact O-N 3.45Å |
| 131 | G | 94.2 | Very high | 91.1 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D129 A134 L135 | D129-G131 PolarHBondContact O-N 2.96Å; D129-G131 VanDerWaalsContact OD1-CA 3.26Å; D129-G131 WeakPolarHBondContact OD1-CA 3.22Å; D129-G131 PolarHBondContact OD1-N 2.92Å; G131-A134 PolarHBondContact O-N 3.02Å; G131-L135 WeakPolarHBondContact O-CB 3.42Å; G131-L135 WeakPolarHBondContact O-CG 3.46Å; G131-L135 PolarHBondContact O-N 3.36Å |
| 132 | M | 93.9 | Very high | 91.3 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.4 | -72.3 | -64.8 | 176.3 | 0 | 0 | 111.5 | I118 D129 A134 L135 F136 L198 A244 | I118-M132 HydrophobicContact CD1-CB 4.36Å; I118-M132 HydrophobicContact CG2-CB 4.37Å; D129-M132 HydrophobicContact CB-CB 4.16Å; D129-M132 HydrophobicContact CB-CG 4.12Å; D129-M132 PolarHBondContact O-N 3.43Å; D129-M132 WeakPolarHBondContact OD1-CG 3.44Å; D129-M132 PolarHBondContact OD1-N 2.77Å; M132-A134 VanDerWaalsContact C-N 3.31Å; M132-A134 PolarHBondContact O-N 3.17Å; M132-L135 PolarHBondContact O-N 3.04Å; M132-L135 HydrophobicContact SD-CD1 4.4Å; M132-F136 WeakPolarHBondContact O-CB 3.31Å; M132-F136 WeakPolarHBondContact O-CD2 3.5Å; M132-F136 PolarHBondContact O-N 2.98Å; M132-L198 HydrophobicContact SD-CD2 4.06Å; M132-A244 HydrophobicContact SD-CB 4.25Å |
| 133 | L | 94 | Very high | 91.6 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 174.1 | -70.1 | 177.9 | 0 | 0 | 0 | 111.6 | Y111 T115 I118 P128 D129 V130 G137 P367 | Y111-L133 WeakPolarHBondContact CE2-O 3.34Å; Y111-L133 WeakPolarHBondContact OH-CB 3.41Å; Y111-L133 PolarHBondContact OH-O 3.46Å; Y111-L133 VanDerWaalsContact OH-O 3.05Å; T115-L133 HydrophobicContact CG2-CD2 3.82Å; I118-L133 HydrophobicContact CB-CD2 4.42Å; I118-L133 HydrophobicContact CD1-CD2 4.23Å; I118-L133 HydrophobicContact CG2-CD2 4.16Å; I118-L133 HydrophobicContact CG2-CG 4.49Å; P128-L133 HydrophobicContact CB-CD1 4.09Å; P128-L133 HydrophobicContact CB-CG 4.39Å; P128-L133 HydrophobicContact CG-CD1 3.96Å; D129-L133 WeakPolarHBondContact O-CG 3.22Å; D129-L133 PolarHBondContact O-N 2.97Å; V130-L133 PolarHBondContact O-N 2.79Å; L133-G137 PolarHBondContact O-N 3.37Å; L133-P367 HydrophobicContact CD1-CB 4.25Å; L133-P367 HydrophobicContact CD1-CG 4.14Å; L133-P367 HydrophobicContact CD2-CG 4.47Å |
| 134 | A | 95.8 | Very high | 92 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | V130 G131 M132 G137 T138 | V130-A134 WeakPolarHBondContact O-CB 3.42Å; V130-A134 PolarHBondContact O-N 3.45Å; G131-A134 PolarHBondContact O-N 3.02Å; M132-A134 VanDerWaalsContact C-N 3.31Å; M132-A134 PolarHBondContact O-N 3.17Å; A134-G137 PolarHBondContact O-N 2.9Å; A134-T138 WeakPolarHBondContact O-CB 3.36Å; A134-T138 PolarHBondContact O-N 2.88Å; A134-T138 PolarHBondContact O-OG1 3.3Å |
| 135 | L | 96.3 | Very high | 92.6 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62 | -50.5 | 176.1 | -77.9 | 171 | 0 | 0 | 0 | 110.9 | G131 M132 G137 T138 G139 V194 | G131-L135 WeakPolarHBondContact O-CB 3.42Å; G131-L135 WeakPolarHBondContact O-CG 3.46Å; G131-L135 PolarHBondContact O-N 3.36Å; M132-L135 PolarHBondContact O-N 3.04Å; M132-L135 HydrophobicContact SD-CD1 4.4Å; L135-G137 VanDerWaalsContact C-N 3.33Å; L135-G137 PolarHBondContact O-N 2.84Å; L135-T138 PolarHBondContact O-N 3.2Å; L135-G139 PolarHBondContact O-N 3.38Å; L135-V194 HydrophobicContact CB-CG1 4.39Å; L135-V194 HydrophobicContact CD2-CG1 4.29Å; L135-V194 WeakPolarHBondContact O-CG1 3.41Å |
| 136 | F | 96.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -33.9 | 177.8 | -85.3 | -99.9 | 0 | 0 | 0 | 112.6 | Y111 C114 I118 M132 G139 A140 L198 L240 A244 | Y111-F136 HydrophobicContact CD2-CB 4.31Å; Y111-F136 HydrophobicContact CE2-CB 4.03Å; C114-F136 HydrophobicContact CB-CB 4.09Å; C114-F136 HydrophobicContact CB-CD1 3.47Å; C114-F136 VanDerWaalsContact CB-CD1 3.47Å; C114-F136 HydrophobicContact CB-CE1 4.15Å; C114-F136 HydrophobicContact CB-CG 4.06Å; C114-F136 VanDerWaalsContact SG-CD1 3.58Å; I118-F136 HydrophobicContact CD1-CB 4.21Å; I118-F136 HydrophobicContact CD1-CD1 4.49Å; I118-F136 HydrophobicContact CD1-CD2 3.7Å; I118-F136 HydrophobicContact CD1-CE2 4.11Å; I118-F136 HydrophobicContact CD1-CG 3.89Å; M132-F136 WeakPolarHBondContact O-CB 3.31Å; M132-F136 WeakPolarHBondContact O-CD2 3.5Å; M132-F136 PolarHBondContact O-N 2.98Å; F136-G139 PolarHBondContact O-N 3.02Å; F136-A140 VanDerWaalsContact O-CB 3.23Å; F136-A140 WeakPolarHBondContact O-CB 3.46Å; F136-A140 PolarHBondContact O-N 3.08Å; F136-L198 HydrophobicContact CE2-CD1 4.17Å; F136-L198 HydrophobicContact CE2-CD2 4.23Å; F136-L198 HydrophobicContact CZ-CD1 4.13Å; F136-L240 HydrophobicContact CE1-CB 4.12Å; F136-L240 HydrophobicContact CE1-CD2 3.96Å; F136-L240 HydrophobicContact CE1-CG 3.8Å; F136-L240 HydrophobicContact CZ-CB 4.42Å; F136-L240 HydrophobicContact CZ-CD2 4.32Å; F136-L240 HydrophobicContact CZ-CG 3.84Å; F136-A244 HydrophobicContact CE2-CB 3.61Å; F136-A244 HydrophobicContact CZ-CB 3.72Å |
| 137 | G | 95.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y111 L133 A134 L135 A140 L141 | Y111-G137 VanDerWaalsContact CE2-CA 3.47Å; Y111-G137 VanDerWaalsContact CE2-N 3.26Å; L133-G137 PolarHBondContact O-N 3.37Å; A134-G137 PolarHBondContact O-N 2.9Å; L135-G137 VanDerWaalsContact C-N 3.33Å; L135-G137 PolarHBondContact O-N 2.84Å; G137-A140 PolarHBondContact O-N 3.37Å; G137-L141 WeakPolarHBondContact O-CB 3.48Å; G137-L141 PolarHBondContact O-N 3.43Å |
| 138 | T | 96.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 38.2 Ų | 38.2 | 43% | 0.429 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65 | -46.1 | 175.3 | -56.4 | 0 | 0 | 0 | 0 | 111 | A134 L135 A140 L141 L142 V194 | A134-T138 WeakPolarHBondContact O-CB 3.36Å; A134-T138 PolarHBondContact O-N 2.88Å; A134-T138 PolarHBondContact O-OG1 3.3Å; L135-T138 PolarHBondContact O-N 3.2Å; T138-A140 PolarHBondContact O-N 3.11Å; T138-L141 PolarHBondContact O-N 3.27Å; T138-L142 HydrophobicContact CG2-CD1 3.95Å; T138-L142 HydrophobicContact CG2-CG 4.5Å; T138-L142 VanDerWaalsContact O-CG 3.31Å; T138-L142 WeakPolarHBondContact O-CG 3.32Å; T138-L142 PolarHBondContact O-N 3Å; T138-V194 HydrophobicContact CG2-CG2 4.19Å |
| 139 | G | 96.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L135 F136 L141 L142 M143 | L135-G139 PolarHBondContact O-N 3.38Å; F136-G139 PolarHBondContact O-N 3.02Å; G139-L141 PolarHBondContact O-N 3.11Å; G139-L142 PolarHBondContact O-N 3.09Å; G139-M143 VanDerWaalsContact O-CB 3.29Å; G139-M143 WeakPolarHBondContact O-CB 3.48Å; G139-M143 WeakPolarHBondContact O-CG 3.23Å; G139-M143 PolarHBondContact O-N 2.9Å |
| 140 | A | 95.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T107 L110 Y111 F136 G137 T138 R144 | T107-A140 HydrophobicContact CG2-CB 4.41Å; L110-A140 HydrophobicContact CB-CB 4.38Å; L110-A140 HydrophobicContact CD2-CB 4.28Å; L110-A140 HydrophobicContact CG-CB 4.24Å; Y111-A140 HydrophobicContact CD2-CB 4.41Å; F136-A140 VanDerWaalsContact O-CB 3.23Å; F136-A140 WeakPolarHBondContact O-CB 3.46Å; F136-A140 PolarHBondContact O-N 3.08Å; G137-A140 PolarHBondContact O-N 3.37Å; T138-A140 PolarHBondContact O-N 3.11Å; A140-R144 WeakPolarHBondContact O-CB 3.34Å; A140-R144 PolarHBondContact O-N 3.2Å |
| 141 | L | 96.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 29% | 0.293 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.2 | -179.5 | 64.9 | 0 | 0 | 0 | 111.9 | M99 L101 T107 G137 T138 G139 G145 | M99-L141 HydrophobicContact CE-CD1 3.76Å; M99-L141 HydrophobicContact CE-CD2 4.33Å; M99-L141 HydrophobicContact CE-CG 3.73Å; L101-L141 HydrophobicContact CD1-CD1 3.74Å; T107-L141 HydrophobicContact CG2-CB 4.05Å; T107-L141 HydrophobicContact CG2-CD1 4.07Å; G137-L141 WeakPolarHBondContact O-CB 3.48Å; G137-L141 PolarHBondContact O-N 3.43Å; T138-L141 PolarHBondContact O-N 3.27Å; G139-L141 PolarHBondContact O-N 3.11Å; L141-G145 PolarHBondContact O-N 2.85Å |
| 142 | L | 96.6 | Very high | 94.3 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 12% | 0.115 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.8 | -48 | -179.9 | -69 | 169.4 | 0 | 0 | 0 | 111.8 | T138 G139 G145 A146 L190 A191 V194 | T138-L142 HydrophobicContact CG2-CD1 3.95Å; T138-L142 HydrophobicContact CG2-CG 4.5Å; T138-L142 VanDerWaalsContact O-CG 3.31Å; T138-L142 WeakPolarHBondContact O-CG 3.32Å; T138-L142 PolarHBondContact O-N 3Å; G139-L142 PolarHBondContact O-N 3.09Å; L142-G145 PolarHBondContact O-N 3.28Å; L142-A146 WeakPolarHBondContact O-CB 3.46Å; L142-A146 PolarHBondContact O-N 2.96Å; L142-L190 HydrophobicContact CD1-CB 3.65Å; L142-L190 HydrophobicContact CD2-CB 4.17Å; L142-L190 HydrophobicContact CD2-CD1 4.2Å; L142-A191 HydrophobicContact CB-CB 4.1Å; L142-A191 HydrophobicContact CD1-CB 4.46Å; L142-V194 HydrophobicContact CD1-CG2 4.44Å |
| 143 | M | 95.2 | Very high | 94.2 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 27% | 0.271 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.9 | -38.3 | -177.8 | -72.5 | -59.2 | -66.6 | 0 | 0 | 112.5 | L110 G139 G145 A146 G147 L188 A191 | L110-M143 HydrophobicContact CD2-CB 4.11Å; G139-M143 VanDerWaalsContact O-CB 3.29Å; G139-M143 WeakPolarHBondContact O-CB 3.48Å; G139-M143 WeakPolarHBondContact O-CG 3.23Å; G139-M143 PolarHBondContact O-N 2.9Å; M143-G145 VanDerWaalsContact C-N 3.3Å; M143-A146 PolarHBondContact O-N 2.96Å; M143-G147 PolarHBondContact O-N 3.03Å; M143-L188 HydrophobicContact SD-CD2 4.25Å; M143-A191 HydrophobicContact CG-CB 3.98Å; M143-A191 HydrophobicContact SD-CB 3.59Å; M143-A191 VanDerWaalsContact SD-CB 3.59Å |
| 144 | R | 94.3 | Very high | 93.8 | Very high | 74 Ų | 74 | 35.9 Ų | 35.9 | 28% | 0.279 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -44 | 171 | 178 | 58.1 | -175.7 | 165.1 | -4.4 | 110.5 | L110 A140 G147 C148 | L110-R144 HydrophobicContact CD2-CB 4.17Å; A140-R144 WeakPolarHBondContact O-CB 3.34Å; A140-R144 PolarHBondContact O-N 3.2Å; R144-G147 PolarHBondContact O-N 3.47Å; R144-C148 VanDerWaalsContact CZ-SG 3.56Å; R144-C148 PolarHBondContact O-N 2.95Å; R144-C148 PolarHBondContact O-SG 3.25Å; R144-C148 VanDerWaalsContact O-SG 3.38Å |
| 145 | G | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L141 L142 M143 C148 T149 Q187 | L141-G145 PolarHBondContact O-N 2.85Å; L142-G145 PolarHBondContact O-N 3.28Å; M143-G145 VanDerWaalsContact C-N 3.3Å; G145-C148 PolarHBondContact O-N 3.38Å; G145-T149 PolarHBondContact O-N 2.85Å; G145-T149 PolarHBondContact O-OG1 3.42Å; G145-T149 VanDerWaalsContact O-OG1 3.06Å; G145-Q187 PolarHBondContact O-NE2 3.12Å |
| 146 | A | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L142 M143 C148 T149 I150 L184 Q187 L188 | L142-A146 WeakPolarHBondContact O-CB 3.46Å; L142-A146 PolarHBondContact O-N 2.96Å; M143-A146 PolarHBondContact O-N 2.96Å; A146-C148 VanDerWaalsContact C-N 3.33Å; A146-C148 PolarHBondContact O-N 2.91Å; A146-T149 WeakPolarHBondContact O-CB 3.34Å; A146-T149 PolarHBondContact O-N 3.24Å; A146-I150 WeakPolarHBondContact O-CG1 3.5Å; A146-I150 PolarHBondContact O-N 2.99Å; A146-L184 HydrophobicContact CB-CD1 3.73Å; A146-Q187 HydrophobicContact CB-CB 4.1Å; A146-L188 HydrophobicContact CB-CD2 3.83Å; A146-L188 HydrophobicContact CB-CG 4.32Å |
| 147 | G | 92.2 | Very high | 92.4 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M143 R144 N151 | M143-G147 PolarHBondContact O-N 3.03Å; R144-G147 PolarHBondContact O-N 3.47Å; G147-N151 WeakPolarHBondContact O-CB 3.46Å; G147-N151 PolarHBondContact O-N 3.38Å |
| 148 | C | 91.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 173.9 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | L98 R100 R144 G145 A146 N151 D152 | L98-C148 WeakPolarHBondContact O-CB 3.19Å; R100-C148 HydrophobicContact CG-CB 4.04Å; R100-C148 VanDerWaalsContact CG-SG 3.52Å; R144-C148 VanDerWaalsContact CZ-SG 3.56Å; R144-C148 PolarHBondContact O-N 2.95Å; R144-C148 PolarHBondContact O-SG 3.25Å; R144-C148 VanDerWaalsContact O-SG 3.38Å; G145-C148 PolarHBondContact O-N 3.38Å; A146-C148 VanDerWaalsContact C-N 3.33Å; A146-C148 PolarHBondContact O-N 2.91Å; C148-N151 PolarHBondContact O-N 3.47Å; C148-D152 WeakPolarHBondContact O-CB 3.44Å; C148-D152 PolarHBondContact O-N 3.29Å |
| 149 | T | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | L98 G145 A146 N151 D152 M153 A180 L184 Q187 | L98-T149 HydrophobicContact CD2-CG2 4.07Å; L98-T149 HydrophobicContact CG-CG2 4.49Å; G145-T149 PolarHBondContact O-N 2.85Å; G145-T149 PolarHBondContact O-OG1 3.42Å; G145-T149 VanDerWaalsContact O-OG1 3.06Å; A146-T149 WeakPolarHBondContact O-CB 3.34Å; A146-T149 PolarHBondContact O-N 3.24Å; T149-N151 PolarHBondContact O-N 2.93Å; T149-D152 PolarHBondContact O-N 2.81Å; T149-M153 HydrophobicContact CG2-SD 4.02Å; T149-M153 WeakPolarHBondContact O-CB 3.23Å; T149-M153 VanDerWaalsContact O-CG 3.23Å; T149-M153 WeakPolarHBondContact O-CG 3.42Å; T149-M153 PolarHBondContact O-N 3.06Å; T149-A180 HydrophobicContact CG2-CB 4.35Å; T149-L184 HydrophobicContact CG2-CB 3.9Å; T149-Q187 PolarHBondContact OG1-OE1 3.14Å |
| 150 | I | 91.5 | Very high | 90.7 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 23% | 0.226 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 177.4 | -67.8 | 166 | 0 | 0 | 0 | 110.6 | A146 M153 W154 L184 | A146-I150 WeakPolarHBondContact O-CG1 3.5Å; A146-I150 PolarHBondContact O-N 2.99Å; I150-M153 WeakPolarHBondContact O-CB 3.3Å; I150-M153 PolarHBondContact O-N 3.38Å; I150-W154 HydrophobicContact CG2-CD2 4.09Å; I150-W154 HydrophobicContact CG2-CE3 3.89Å; I150-W154 HydrophobicContact CG2-CH2 4.17Å; I150-W154 HydrophobicContact CG2-CZ2 4.35Å; I150-W154 HydrophobicContact CG2-CZ3 3.91Å; I150-W154 PolarHBondContact O-N 3.05Å; I150-L184 HydrophobicContact CD1-CD1 3.97Å; I150-L184 HydrophobicContact CD1-CD2 4.24Å; I150-L184 HydrophobicContact CG1-CD1 3.74Å; I150-L184 HydrophobicContact CG1-CD2 3.59Å; I150-L184 HydrophobicContact CG1-CG 4.33Å |
| 151 | N | 89.3 | Confident | 90.1 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | -179.6 | -166 | 94.4 | 0 | 0 | 0 | 111.5 | G147 C148 T149 M153 W154 D155 | G147-N151 WeakPolarHBondContact O-CB 3.46Å; G147-N151 PolarHBondContact O-N 3.38Å; C148-N151 PolarHBondContact O-N 3.47Å; T149-N151 PolarHBondContact O-N 2.93Å; N151-M153 VanDerWaalsContact C-N 3.27Å; N151-M153 PolarHBondContact O-N 3.29Å; N151-W154 PolarHBondContact O-N 3.35Å; N151-D155 PolarHBondContact ND2-OD2 3.36Å; N151-D155 WeakPolarHBondContact O-CB 3.46Å; N151-D155 PolarHBondContact O-N 2.97Å; N151-D155 PolarHBondContact OD1-OD2 3.22Å |
| 152 | D | 90.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -28.5 | 178.2 | -76.7 | 22.9 | 0 | 0 | 0 | 112.1 | L98 R100 C148 T149 K156 R168 I170 | L98-D152 HydrophobicContact CD1-CB 3.94Å; R100-D152 IonicContact CZ-OD1 3.93Å; R100-D152 IonicContact CZ-OD2 3.45Å; R100-D152 IonicContact NH1-OD2 3.61Å; R100-D152 PolarHBondContact NH1-OD2 3.32Å; R100-D152 IonicContact NH2-OD1 2.81Å; R100-D152 PolarHBondContact NH2-OD1 2.94Å; R100-D152 IonicContact NH2-OD2 3.46Å; R100-D152 PolarHBondContact NH2-OD2 2.98Å; C148-D152 WeakPolarHBondContact O-CB 3.44Å; C148-D152 PolarHBondContact O-N 3.29Å; T149-D152 PolarHBondContact O-N 2.81Å; D152-K156 PolarHBondContact O-N 3.44Å; D152-R168 IonicContact OD1-CZ 3.81Å; D152-R168 IonicContact OD1-NE 3.95Å; D152-R168 IonicContact OD1-NH1 3.29Å; D152-R168 PolarHBondContact OD1-NH1 3.48Å; D152-I170 HydrophobicContact CB-CB 4.45Å; D152-I170 HydrophobicContact CB-CD1 3.9Å; D152-I170 HydrophobicContact CB-CG1 4.44Å |
| 153 | M | 90.4 | Very high | 88.5 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 21% | 0.212 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -43 | 174.3 | -76.2 | 175.2 | 67.2 | 0 | 0 | 112.4 | T149 I150 N151 I170 A180 L181 L184 | T149-M153 HydrophobicContact CG2-SD 4.02Å; T149-M153 WeakPolarHBondContact O-CB 3.23Å; T149-M153 VanDerWaalsContact O-CG 3.23Å; T149-M153 WeakPolarHBondContact O-CG 3.42Å; T149-M153 PolarHBondContact O-N 3.06Å; I150-M153 WeakPolarHBondContact O-CB 3.3Å; I150-M153 PolarHBondContact O-N 3.38Å; N151-M153 VanDerWaalsContact C-N 3.27Å; N151-M153 PolarHBondContact O-N 3.29Å; M153-I170 HydrophobicContact CG-CD1 3.66Å; M153-A180 HydrophobicContact CG-CB 4Å; M153-A180 HydrophobicContact SD-CB 3.93Å; M153-L181 HydrophobicContact CE-CB 4.41Å; M153-L181 HydrophobicContact CE-CD1 4.19Å; M153-L184 HydrophobicContact SD-CD2 4.38Å |
| 154 | W | 87.1 | Confident | 87.9 | Confident | 149 Ų | 149 | 56 Ų | 56 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -76.7 | -36.3 | 178.9 | -76.6 | -16.4 | 0 | 0 | 0 | 113.3 | I150 N151 P217 | I150-W154 HydrophobicContact CG2-CD2 4.09Å; I150-W154 HydrophobicContact CG2-CE3 3.89Å; I150-W154 HydrophobicContact CG2-CH2 4.17Å; I150-W154 HydrophobicContact CG2-CZ2 4.35Å; I150-W154 HydrophobicContact CG2-CZ3 3.91Å; I150-W154 PolarHBondContact O-N 3.05Å; N151-W154 PolarHBondContact O-N 3.35Å; W154-P217 HydrophobicContact CE3-CB 3.86Å; W154-P217 HydrophobicContact CE3-CG 4.34Å; W154-P217 HydrophobicContact CZ3-CB 3.47Å; W154-P217 VanDerWaalsContact CZ3-CB 3.47Å; W154-P217 HydrophobicContact CZ3-CG 3.69Å |
| 155 | D | 85.3 | Confident | 87.4 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -90.6 | 2.2 | -176.2 | -65.5 | -22.1 | 0 | 0 | 0 | 113.2 | N151 D157 F158 D159 | N151-D155 PolarHBondContact ND2-OD2 3.36Å; N151-D155 WeakPolarHBondContact O-CB 3.46Å; N151-D155 PolarHBondContact O-N 2.97Å; N151-D155 PolarHBondContact OD1-OD2 3.22Å; D155-D157 VanDerWaalsContact C-N 3.27Å; D155-D157 PolarHBondContact O-N 3.25Å; D155-F158 CarbonylContact O-C 3.59Å; D155-F158 WeakPolarHBondContact O-CA 3.38Å; D155-F158 WeakPolarHBondContact O-CB 3.2Å; D155-F158 PolarHBondContact O-N 3.19Å; D155-D159 WeakPolarHBondContact O-CB 3.4Å; D155-D159 PolarHBondContact O-N 3.05Å |
| 156 | K | 87.1 | Confident | 87 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -42.6 | -47.8 | -173.7 | 178 | -176.9 | -179.5 | -177 | 0 | 114.6 | D152 K160 I170 | D152-K156 PolarHBondContact O-N 3.44Å; K156-K160 WeakPolarHBondContact O-CG 3.44Å; K156-K160 PolarHBondContact O-N 2.81Å; K156-I170 HydrophobicContact CB-CG2 4.22Å; K156-I170 HydrophobicContact CD-CG2 3.91Å; K156-I170 HydrophobicContact CG-CG2 4Å |
| 157 | D | 86.2 | Confident | 86.7 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 43% | 0.428 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -80.9 | -26.1 | -173.2 | -62.3 | -46 | 0 | 0 | 0 | 112.4 | D155 K160 Q161 R177 | D155-D157 VanDerWaalsContact C-N 3.27Å; D155-D157 PolarHBondContact O-N 3.25Å; D157-K160 IonicContact OD1-NZ 2.64Å; D157-K160 PolarHBondContact OD1-NZ 3.31Å; D157-Q161 PolarHBondContact O-NE2 2.88Å; D157-R177 IonicContact OD2-NH2 3.66Å |
| 158 | F | 82 | Confident | 86.6 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 45% | 0.447 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.9 | -44.4 | 169.8 | -65.5 | -75.5 | 0 | 0 | 0 | 111.1 | D155 K160 Q161 V283 | D155-F158 CarbonylContact O-C 3.59Å; D155-F158 WeakPolarHBondContact O-CA 3.38Å; D155-F158 WeakPolarHBondContact O-CB 3.2Å; D155-F158 PolarHBondContact O-N 3.19Å; F158-K160 PolarHBondContact O-N 3.45Å; F158-Q161 WeakPolarHBondContact O-CB 3.48Å; F158-Q161 PolarHBondContact O-N 3.16Å; F158-V283 HydrophobicContact CD1-CG1 4.38Å; F158-V283 HydrophobicContact CE1-CG1 4.46Å |
| 159 | D | 85.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -31.5 | -178.8 | -84.8 | -24.9 | 0 | 0 | 0 | 112.7 | D155 Q161 V162 T165 A166 R168 A171 | D155-D159 WeakPolarHBondContact O-CB 3.4Å; D155-D159 PolarHBondContact O-N 3.05Å; D159-Q161 PolarHBondContact O-N 2.92Å; D159-V162 PolarHBondContact O-N 3.32Å; D159-T165 VanDerWaalsContact CA-OG1 3.28Å; D159-T165 WeakPolarHBondContact CA-OG1 3.34Å; D159-T165 CarbonylContact O-C 3.18Å; D159-T165 VanDerWaalsContact O-C 3.27Å; D159-T165 PolarHBondContact O-OG1 2.93Å; D159-T165 WeakPolarHBondContact OD1-CB 3.42Å; D159-T165 PolarHBondContact OD1-OG1 3.22Å; D159-A166 WeakPolarHBondContact O-CA 3.43Å; D159-A166 PolarHBondContact O-N 3.46Å; D159-R168 VanDerWaalsContact CG-NH1 3.29Å; D159-R168 IonicContact OD1-CZ 3.46Å; D159-R168 IonicContact OD1-NH1 3.39Å; D159-R168 PolarHBondContact OD1-NH1 2.87Å; D159-R168 VanDerWaalsContact OD1-NH1 3.13Å; D159-R168 WeakPolarHBondContact OD2-CD 3.39Å; D159-R168 IonicContact OD2-CZ 3.39Å; D159-R168 IonicContact OD2-NE 2.8Å; D159-R168 IonicContact OD2-NH1 2.73Å; D159-R168 PolarHBondContact OD2-NH1 3.36Å; D159-A171 HydrophobicContact CB-CB 3.84Å |
| 160 | K | 85.8 | Confident | 86.6 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.6 | 173.6 | -77.4 | 171.6 | -178.3 | 173.2 | 0 | 114.1 | K156 D157 F158 A171 | K156-K160 WeakPolarHBondContact O-CG 3.44Å; K156-K160 PolarHBondContact O-N 2.81Å; D157-K160 IonicContact OD1-NZ 2.64Å; D157-K160 PolarHBondContact OD1-NZ 3.31Å; F158-K160 PolarHBondContact O-N 3.45Å; K160-A171 WeakPolarHBondContact CE-O 3.31Å; K160-A171 HydrophobicContact CG-CB 4.08Å; K160-A171 WeakPolarHBondContact CG-O 3.26Å |
| 161 | Q | 82.8 | Confident | 86.6 | Confident | 156 Ų | 156 | 56.8 Ų | 56.8 | 73% | 0.729 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -15.8 | -175.1 | -60.6 | 174.5 | 51.9 | 0 | 0 | 112 | D157 F158 D159 | D157-Q161 PolarHBondContact O-NE2 2.88Å; F158-Q161 WeakPolarHBondContact O-CB 3.48Å; F158-Q161 PolarHBondContact O-N 3.16Å; D159-Q161 PolarHBondContact O-N 2.92Å |
| 162 | V | 79.1 | Confident | 86.7 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -103.7 | 122.2 | -176.6 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | D159 R164 T165 A166 | D159-V162 PolarHBondContact O-N 3.32Å; V162-R164 HydrophobicContact CG1-CB 4.25Å; V162-R164 PolarHBondContact O-N 3.08Å; V162-R164 VanDerWaalsContact O-N 3.1Å; V162-T165 WeakPolarHBondContact CB-OG1 3.38Å; V162-T165 PolarHBondContact O-N 2.95Å; V162-A166 WeakPolarHBondContact O-CB 3.44Å; V162-A166 PolarHBondContact O-N 3.47Å |
| 163 | A | 80.8 | Confident | 86.7 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 80% | 0.802 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -38.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 164 | R | 81.2 | Confident | 86.8 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -36.3 | 179.1 | -174.9 | -178.5 | 65.8 | 133.5 | -5.6 | 113.3 | V162 Y272 D276 | V162-R164 HydrophobicContact CG1-CB 4.25Å; V162-R164 PolarHBondContact O-N 3.08Å; V162-R164 VanDerWaalsContact O-N 3.1Å; R164-Y272 PolarHBondContact NH1-OH 2.86Å; R164-Y272 VanDerWaalsContact NH1-OH 3.17Å; R164-D276 IonicContact CZ-OD1 3.66Å; R164-D276 IonicContact CZ-OD2 3.54Å; R164-D276 IonicContact NE-OD1 3.75Å; R164-D276 IonicContact NH1-OD1 3.13Å; R164-D276 PolarHBondContact NH1-OD1 3.44Å; R164-D276 IonicContact NH1-OD2 2.72Å; R164-D276 PolarHBondContact NH1-OD2 3.48Å; R164-D276 IonicContact NH2-OD1 3.58Å; R164-D276 PolarHBondContact NH2-OD1 3.17Å; R164-D276 IonicContact NH2-OD2 3.54Å; R164-D276 PolarHBondContact NH2-OD2 3.33Å |
| 165 | T | 84.5 | Confident | 87.2 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -6.3 | -170.9 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | D159 V162 C167 R168 | D159-T165 VanDerWaalsContact CA-OG1 3.28Å; D159-T165 WeakPolarHBondContact CA-OG1 3.34Å; D159-T165 CarbonylContact O-C 3.18Å; D159-T165 VanDerWaalsContact O-C 3.27Å; D159-T165 PolarHBondContact O-OG1 2.93Å; D159-T165 WeakPolarHBondContact OD1-CB 3.42Å; D159-T165 PolarHBondContact OD1-OG1 3.22Å; V162-T165 WeakPolarHBondContact CB-OG1 3.38Å; V162-T165 PolarHBondContact O-N 2.95Å; T165-C167 PolarHBondContact O-N 3.04Å; T165-C167 VanDerWaalsContact O-N 3.11Å; T165-R168 VanDerWaalsContact CG2-CZ 3.4Å; T165-R168 VanDerWaalsContact CG2-NH2 3.26Å; T165-R168 VanDerWaalsContact O-CB 3.27Å; T165-R168 WeakPolarHBondContact O-CB 3.5Å; T165-R168 VanDerWaalsContact O-CG 3.23Å; T165-R168 WeakPolarHBondContact O-CG 3.42Å; T165-R168 PolarHBondContact O-N 2.96Å |
| 166 | A | 85.9 | Confident | 87.7 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D159 V162 R168 | D159-A166 WeakPolarHBondContact O-CA 3.43Å; D159-A166 PolarHBondContact O-N 3.46Å; V162-A166 WeakPolarHBondContact O-CB 3.44Å; V162-A166 PolarHBondContact O-N 3.47Å; A166-R168 VanDerWaalsContact C-N 3.32Å |
| 167 | C | 88 | Confident | 87.9 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 1.9 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 114 | T165 | T165-C167 PolarHBondContact O-N 3.04Å; T165-C167 VanDerWaalsContact O-N 3.11Å |
| 168 | R | 91.2 | Very high | 88.4 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 19% | 0.185 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -62.5 | 146.8 | 176.7 | -72.8 | 174.7 | -179.7 | -173.9 | 2.3 | 110.4 | D152 D159 T165 A166 I170 A171 S172 | D152-R168 IonicContact OD1-CZ 3.81Å; D152-R168 IonicContact OD1-NE 3.95Å; D152-R168 IonicContact OD1-NH1 3.29Å; D152-R168 PolarHBondContact OD1-NH1 3.48Å; D159-R168 VanDerWaalsContact CG-NH1 3.29Å; D159-R168 IonicContact OD1-CZ 3.46Å; D159-R168 IonicContact OD1-NH1 3.39Å; D159-R168 PolarHBondContact OD1-NH1 2.87Å; D159-R168 VanDerWaalsContact OD1-NH1 3.13Å; D159-R168 WeakPolarHBondContact OD2-CD 3.39Å; D159-R168 IonicContact OD2-CZ 3.39Å; D159-R168 IonicContact OD2-NE 2.8Å; D159-R168 IonicContact OD2-NH1 2.73Å; D159-R168 PolarHBondContact OD2-NH1 3.36Å; T165-R168 VanDerWaalsContact CG2-CZ 3.4Å; T165-R168 VanDerWaalsContact CG2-NH2 3.26Å; T165-R168 VanDerWaalsContact O-CB 3.27Å; T165-R168 WeakPolarHBondContact O-CB 3.5Å; T165-R168 VanDerWaalsContact O-CG 3.23Å; T165-R168 WeakPolarHBondContact O-CG 3.42Å; T165-R168 PolarHBondContact O-N 2.96Å; A166-R168 VanDerWaalsContact C-N 3.32Å; R168-I170 VanDerWaalsContact C-N 3.33Å; R168-I170 PolarHBondContact O-N 2.94Å; R168-A171 HydrophobicContact CB-CB 4.13Å; R168-A171 PolarHBondContact O-N 3.45Å; R168-A171 VanDerWaalsContact O-N 3.17Å; R168-S172 WeakPolarHBondContact O-CB 3.39Å; R168-S172 PolarHBondContact O-N 3.34Å; R168-S172 PolarHBondContact O-OG 2.96Å |
| 169 | P | 92.3 | Very high | 89 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.019 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.5 | -38.3 | -173 | -28 | 35.9 | 0 | 0 | 0 | 114.8 | P94 R97 L98 S172 G173 E174 I175 | P94-P169 HydrophobicContact CB-CB 4.4Å; P94-P169 WeakPolarHBondContact O-CG 3.45Å; R97-P169 HydrophobicContact CB-CG 4Å; L98-P169 HydrophobicContact CB-CG 4.23Å; P169-S172 PolarHBondContact O-OG 3.03Å; P169-G173 PolarHBondContact O-N 2.85Å; P169-E174 HydrophobicContact CB-CB 4.49Å; P169-E174 PolarHBondContact O-N 3.48Å; P169-I175 HydrophobicContact CB-CB 4.38Å; P169-I175 HydrophobicContact CB-CD1 3.81Å; P169-I175 HydrophobicContact CB-CG1 4.02Å; P169-I175 PolarHBondContact O-N 3.06Å |
| 170 | I | 93.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.6 | -36.8 | 179.1 | -60.4 | -179.1 | 0 | 0 | 0 | 111.6 | L98 D152 M153 K156 R168 G173 I175 A180 | L98-I170 HydrophobicContact CD1-CD1 3.72Å; L98-I170 HydrophobicContact CD1-CG1 3.93Å; L98-I170 HydrophobicContact CD2-CD1 4.19Å; L98-I170 HydrophobicContact CD2-CG1 4.41Å; D152-I170 HydrophobicContact CB-CB 4.45Å; D152-I170 HydrophobicContact CB-CD1 3.9Å; D152-I170 HydrophobicContact CB-CG1 4.44Å; M153-I170 HydrophobicContact CG-CD1 3.66Å; K156-I170 HydrophobicContact CB-CG2 4.22Å; K156-I170 HydrophobicContact CD-CG2 3.91Å; K156-I170 HydrophobicContact CG-CG2 4Å; R168-I170 VanDerWaalsContact C-N 3.33Å; R168-I170 PolarHBondContact O-N 2.94Å; I170-G173 PolarHBondContact O-N 3.21Å; I170-I175 HydrophobicContact CG1-CB 4.41Å; I170-I175 HydrophobicContact CG1-CG2 4.43Å; I170-A180 HydrophobicContact CD1-CB 3.6Å; I170-A180 HydrophobicContact CG1-CB 4.27Å |
| 171 | A | 91 | Very high | 90 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D159 K160 R168 G173 | D159-A171 HydrophobicContact CB-CB 3.84Å; K160-A171 WeakPolarHBondContact CE-O 3.31Å; K160-A171 HydrophobicContact CG-CB 4.08Å; K160-A171 WeakPolarHBondContact CG-O 3.26Å; R168-A171 HydrophobicContact CB-CB 4.13Å; R168-A171 PolarHBondContact O-N 3.45Å; R168-A171 VanDerWaalsContact O-N 3.17Å; A171-G173 VanDerWaalsContact C-N 3.26Å; A171-G173 PolarHBondContact O-N 3.44Å |
| 172 | S | 91.4 | Very high | 90.7 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 38% | 0.378 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.3 | -16.3 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 114 | R168 P169 | R168-S172 WeakPolarHBondContact O-CB 3.39Å; R168-S172 PolarHBondContact O-N 3.34Å; R168-S172 PolarHBondContact O-OG 2.96Å; P169-S172 PolarHBondContact O-OG 3.03Å |
| 173 | G | 91.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 58% | 0.577 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P169 I170 A171 I175 | P169-G173 PolarHBondContact O-N 2.85Å; I170-G173 PolarHBondContact O-N 3.21Å; A171-G173 VanDerWaalsContact C-N 3.26Å; A171-G173 PolarHBondContact O-N 3.44Å; G173-I175 PolarHBondContact O-N 3.41Å |
| 174 | E | 92.5 | Very high | 92.3 | Very high | 92 Ų | 92 | 56.1 Ų | 56.1 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -64.4 | -31.1 | 170.8 | -68.8 | -179.1 | -167.5 | 0 | 0 | 112.1 | P94 R97 P169 | P94-E174 HydrophobicContact CB-CB 4.45Å; R97-E174 IonicContact CZ-OE1 3.37Å; R97-E174 IonicContact CZ-OE2 3.12Å; R97-E174 VanDerWaalsContact CZ-OE2 3.31Å; R97-E174 IonicContact NH1-OE1 2.97Å; R97-E174 PolarHBondContact NH1-OE1 2.9Å; R97-E174 IonicContact NH1-OE2 3.43Å; R97-E174 PolarHBondContact NH1-OE2 2.85Å; R97-E174 IonicContact NH2-OE1 3.31Å; R97-E174 IonicContact NH2-OE2 2.77Å; R97-E174 PolarHBondContact NH2-OE2 3.38Å; P169-E174 HydrophobicContact CB-CB 4.49Å; P169-E174 PolarHBondContact O-N 3.48Å |
| 175 | I | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -120.3 | 127.6 | 174.6 | -66.1 | 179.7 | 0 | 0 | 0 | 109.3 | P94 Y95 L98 P169 I170 G173 Q179 A180 | P94-I175 HydrophobicContact CB-CD1 3.74Å; P94-I175 HydrophobicContact CB-CG1 3.78Å; Y95-I175 HydrophobicContact CD1-CD1 3.82Å; Y95-I175 HydrophobicContact CD2-CD1 4.45Å; Y95-I175 HydrophobicContact CE1-CD1 4.01Å; Y95-I175 HydrophobicContact CE1-CG2 4.48Å; Y95-I175 HydrophobicContact CG-CD1 4.06Å; L98-I175 HydrophobicContact CB-CD1 4.2Å; L98-I175 HydrophobicContact CD2-CD1 3.81Å; P169-I175 HydrophobicContact CB-CB 4.38Å; P169-I175 HydrophobicContact CB-CD1 3.81Å; P169-I175 HydrophobicContact CB-CG1 4.02Å; P169-I175 PolarHBondContact O-N 3.06Å; I170-I175 HydrophobicContact CG1-CB 4.41Å; I170-I175 HydrophobicContact CG1-CG2 4.43Å; G173-I175 PolarHBondContact O-N 3.41Å; I175-Q179 HydrophobicContact CG2-CB 3.81Å; I175-A180 HydrophobicContact CG2-CB 4Å |
| 176 | S | 94.7 | Very high | 93.7 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | trans | -73.1 | 159 | 173.7 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | M178 Q179 A180 | S176-M178 VanDerWaalsContact C-N 3.27Å; S176-M178 PolarHBondContact O-N 2.91Å; S176-Q179 PolarHBondContact O-N 2.9Å; S176-Q179 WeakPolarHBondContact OG-CB 3.36Å; S176-Q179 VanDerWaalsContact OG-CD 3.28Å; S176-Q179 VanDerWaalsContact OG-CG 3.24Å; S176-Q179 WeakPolarHBondContact OG-CG 3.33Å; S176-Q179 PolarHBondContact OG-N 3.16Å; S176-Q179 PolarHBondContact OG-OE1 3.47Å; S176-A180 PolarHBondContact O-N 3.27Å | ||
| 177 | R | 92.7 | Very high | 94.3 | Very high | 126 Ų | 126 | 51.7 Ų | 51.7 | 48% | 0.475 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.5 | -37.8 | 177.8 | -76.3 | -173.5 | 174.3 | 168.6 | 1.3 | 112.6 | D157 A180 L181 | D157-R177 IonicContact OD2-NH2 3.66Å; R177-A180 PolarHBondContact O-N 3.39Å; R177-L181 PolarHBondContact O-N 3.28Å |
| 178 | M | 95.2 | Very high | 94.7 | Very high | 138 Ų | 138 | 51.5 Ų | 51.5 | 68% | 0.68 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.2 | -40.5 | 178.5 | -67.9 | -59 | 155.8 | 0 | 0 | 112.2 | S176 A180 L181 V182 | S176-M178 VanDerWaalsContact C-N 3.27Å; S176-M178 PolarHBondContact O-N 2.91Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 3.35Å; M178-L181 PolarHBondContact O-N 3.24Å; M178-L181 HydrophobicContact SD-CD2 4.45Å; M178-V182 WeakPolarHBondContact O-CG2 3.5Å; M178-V182 PolarHBondContact O-N 3.43Å |
| 179 | Q | 96.2 | Very high | 95 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 173.2 | -75.8 | 166.4 | -40.9 | 0 | 0 | 111.9 | Y95 I175 S176 L181 V182 F183 | Y95-Q179 HydrophobicContact CE1-CB 4.46Å; I175-Q179 HydrophobicContact CG2-CB 3.81Å; S176-Q179 PolarHBondContact O-N 2.9Å; S176-Q179 WeakPolarHBondContact OG-CB 3.36Å; S176-Q179 VanDerWaalsContact OG-CD 3.28Å; S176-Q179 VanDerWaalsContact OG-CG 3.24Å; S176-Q179 WeakPolarHBondContact OG-CG 3.33Å; S176-Q179 PolarHBondContact OG-N 3.16Å; S176-Q179 PolarHBondContact OG-OE1 3.47Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.38Å; Q179-V182 PolarHBondContact O-N 2.83Å; Q179-F183 VanDerWaalsContact O-CB 3.31Å; Q179-F183 WeakPolarHBondContact O-CB 3.44Å; Q179-F183 PolarHBondContact O-N 3.5Å |
| 180 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T149 M153 I170 I175 S176 R177 M178 F183 L184 | T149-A180 HydrophobicContact CG2-CB 4.35Å; M153-A180 HydrophobicContact CG-CB 4Å; M153-A180 HydrophobicContact SD-CB 3.93Å; I170-A180 HydrophobicContact CD1-CB 3.6Å; I170-A180 HydrophobicContact CG1-CB 4.27Å; I175-A180 HydrophobicContact CG2-CB 4Å; S176-A180 PolarHBondContact O-N 3.27Å; R177-A180 PolarHBondContact O-N 3.39Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 3.35Å; A180-F183 PolarHBondContact O-N 2.92Å; A180-L184 VanDerWaalsContact O-CB 3.31Å; A180-L184 WeakPolarHBondContact O-CB 3.31Å; A180-L184 PolarHBondContact O-N 3.38Å |
| 181 | L | 96.5 | Very high | 95.4 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.4 | -172.5 | 70.7 | 0 | 0 | 0 | 112.3 | M153 R177 M178 Q179 F183 L184 G185 | M153-L181 HydrophobicContact CE-CB 4.41Å; M153-L181 HydrophobicContact CE-CD1 4.19Å; R177-L181 PolarHBondContact O-N 3.28Å; M178-L181 PolarHBondContact O-N 3.24Å; M178-L181 HydrophobicContact SD-CD2 4.45Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3.38Å; L181-F183 VanDerWaalsContact C-N 3.34Å; L181-L184 PolarHBondContact O-N 3.43Å; L181-G185 PolarHBondContact O-N 3.19Å |
| 182 | V | 97.5 | Very high | 95.7 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 68% | 0.679 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 175.7 | 172 | 0 | 0 | 0 | 0 | 110.7 | M178 Q179 G185 G186 | M178-V182 WeakPolarHBondContact O-CG2 3.5Å; M178-V182 PolarHBondContact O-N 3.43Å; Q179-V182 PolarHBondContact O-N 2.83Å; V182-G185 PolarHBondContact O-N 3.25Å; V182-G186 PolarHBondContact O-N 2.97Å |
| 183 | F | 97.2 | Very high | 96 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 21% | 0.211 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 177 | -175.3 | -116.5 | 0 | 0 | 0 | 111.9 | Y95 L98 M99 Q179 A180 L181 G185 G186 Q187 | Y95-F183 HydrophobicContact CD1-CB 4.02Å; Y95-F183 HydrophobicContact CD1-CD1 4.11Å; Y95-F183 AromaticContact CD1-CD2 3.73Å; Y95-F183 HydrophobicContact CD1-CD2 3.73Å; Y95-F183 HydrophobicContact CD1-CE2 4.18Å; Y95-F183 AromaticContact CD1-CG 3.69Å; Y95-F183 HydrophobicContact CD1-CG 3.69Å; Y95-F183 HydrophobicContact CE1-CB 4.12Å; Y95-F183 HydrophobicContact CE1-CD2 4.45Å; Y95-F183 HydrophobicContact CE1-CG 4.3Å; Y95-F183 HydrophobicContact CG-CD2 4.42Å; Y95-F183 HydrophobicContact CG-CE2 4.48Å; L98-F183 HydrophobicContact CD2-CD1 3.99Å; L98-F183 HydrophobicContact CD2-CE1 4.38Å; M99-F183 HydrophobicContact CB-CE1 4.27Å; M99-F183 HydrophobicContact CB-CZ 4.41Å; M99-F183 HydrophobicContact SD-CZ 4.21Å; Q179-F183 VanDerWaalsContact O-CB 3.31Å; Q179-F183 WeakPolarHBondContact O-CB 3.44Å; Q179-F183 PolarHBondContact O-N 3.5Å; A180-F183 PolarHBondContact O-N 2.92Å; L181-F183 VanDerWaalsContact C-N 3.34Å; F183-G185 VanDerWaalsContact C-N 3.34Å; F183-G185 PolarHBondContact O-N 3.43Å; F183-G186 PolarHBondContact O-N 2.71Å; F183-Q187 HydrophobicContact CD1-CG 4.39Å; F183-Q187 HydrophobicContact CE1-CG 4.15Å; F183-Q187 VanDerWaalsContact CE1-NE2 3.27Å; F183-Q187 HydrophobicContact CE2-CG 4.46Å; F183-Q187 HydrophobicContact CZ-CG 4.18Å; F183-Q187 WeakPolarHBondContact O-CG 3.33Å; F183-Q187 PolarHBondContact O-N 3.48Å |
| 184 | L | 96.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 173.6 | 176.9 | 61.3 | 0 | 0 | 0 | 111.5 | A146 T149 I150 M153 A180 L181 G186 Q187 L188 | A146-L184 HydrophobicContact CB-CD1 3.73Å; T149-L184 HydrophobicContact CG2-CB 3.9Å; I150-L184 HydrophobicContact CD1-CD1 3.97Å; I150-L184 HydrophobicContact CD1-CD2 4.24Å; I150-L184 HydrophobicContact CG1-CD1 3.74Å; I150-L184 HydrophobicContact CG1-CD2 3.59Å; I150-L184 HydrophobicContact CG1-CG 4.33Å; M153-L184 HydrophobicContact SD-CD2 4.38Å; A180-L184 VanDerWaalsContact O-CB 3.31Å; A180-L184 WeakPolarHBondContact O-CB 3.31Å; A180-L184 PolarHBondContact O-N 3.38Å; L181-L184 PolarHBondContact O-N 3.43Å; L184-G186 VanDerWaalsContact C-N 3.3Å; L184-G186 PolarHBondContact O-N 3.37Å; L184-Q187 PolarHBondContact O-N 2.8Å; L184-L188 HydrophobicContact CD1-CD1 3.93Å; L184-L188 HydrophobicContact CD1-CG 4Å; L184-L188 HydrophobicContact CG-CD1 3.98Å; L184-L188 HydrophobicContact CG-CG 4.41Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 2.94Å |
| 185 | G | 97.3 | Very high | 96.4 | Very high | 33 Ų | 33 | 58.1 Ų | 58.1 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L181 V182 F183 S189 | L181-G185 PolarHBondContact O-N 3.19Å; V182-G185 PolarHBondContact O-N 3.25Å; F183-G185 VanDerWaalsContact C-N 3.34Å; F183-G185 PolarHBondContact O-N 3.43Å; G185-S189 VanDerWaalsContact O-CB 3.28Å; G185-S189 WeakPolarHBondContact O-CB 3.49Å; G185-S189 PolarHBondContact O-N 2.92Å; G185-S189 PolarHBondContact O-OG 2.83Å |
| 186 | G | 97.6 | Very high | 96.6 | Very high | 33 Ų | 33 | 62.9 Ų | 62.9 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V182 F183 L184 L188 S189 L190 | V182-G186 PolarHBondContact O-N 2.97Å; F183-G186 PolarHBondContact O-N 2.71Å; L184-G186 VanDerWaalsContact C-N 3.3Å; L184-G186 PolarHBondContact O-N 3.37Å; G186-L188 PolarHBondContact O-N 2.99Å; G186-S189 PolarHBondContact O-N 2.68Å; G186-L190 WeakPolarHBondContact O-CB 3.33Å; G186-L190 WeakPolarHBondContact O-CG 3.31Å; G186-L190 PolarHBondContact O-N 2.93Å |
| 187 | Q | 97.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 177.7 | -69.4 | 173.8 | -58.5 | 0 | 0 | 111.8 | G145 A146 T149 F183 L184 A191 | G145-Q187 PolarHBondContact O-NE2 3.12Å; A146-Q187 HydrophobicContact CB-CB 4.1Å; T149-Q187 PolarHBondContact OG1-OE1 3.14Å; F183-Q187 HydrophobicContact CD1-CG 4.39Å; F183-Q187 HydrophobicContact CE1-CG 4.15Å; F183-Q187 VanDerWaalsContact CE1-NE2 3.27Å; F183-Q187 HydrophobicContact CE2-CG 4.46Å; F183-Q187 HydrophobicContact CZ-CG 4.18Å; F183-Q187 WeakPolarHBondContact O-CG 3.33Å; F183-Q187 PolarHBondContact O-N 3.48Å; L184-Q187 PolarHBondContact O-N 2.8Å; Q187-A191 WeakPolarHBondContact O-CB 2.97Å; Q187-A191 PolarHBondContact O-N 3.05Å |
| 188 | L | 96.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 59.4 Ų | 59.4 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | -180 | -67.5 | 176.5 | 0 | 0 | 0 | 112.2 | M143 A146 L184 G186 A191 L192 | M143-L188 HydrophobicContact SD-CD2 4.25Å; A146-L188 HydrophobicContact CB-CD2 3.83Å; A146-L188 HydrophobicContact CB-CG 4.32Å; L184-L188 HydrophobicContact CD1-CD1 3.93Å; L184-L188 HydrophobicContact CD1-CG 4Å; L184-L188 HydrophobicContact CG-CD1 3.98Å; L184-L188 HydrophobicContact CG-CG 4.41Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 2.94Å; G186-L188 PolarHBondContact O-N 2.99Å; L188-A191 PolarHBondContact O-N 3.38Å; L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 PolarHBondContact O-N 3.47Å |
| 189 | S | 97.8 | Very high | 96.9 | Very high | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | G185 G186 L192 C193 | G185-S189 VanDerWaalsContact O-CB 3.28Å; G185-S189 WeakPolarHBondContact O-CB 3.49Å; G185-S189 PolarHBondContact O-N 2.92Å; G185-S189 PolarHBondContact O-OG 2.83Å; G186-S189 PolarHBondContact O-N 2.68Å; S189-L192 WeakPolarHBondContact O-CB 3.48Å; S189-L192 PolarHBondContact O-N 2.92Å; S189-C193 PolarHBondContact O-N 3.21Å; S189-C193 PolarHBondContact O-SG 3.42Å; S189-C193 VanDerWaalsContact O-SG 3.32Å |
| 190 | L | 97.8 | Very high | 97 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 175.7 | -69.2 | 173.1 | 0 | 0 | 0 | 111.8 | L142 G186 L192 C193 V194 | L142-L190 HydrophobicContact CD1-CB 3.65Å; L142-L190 HydrophobicContact CD2-CB 4.17Å; L142-L190 HydrophobicContact CD2-CD1 4.2Å; G186-L190 WeakPolarHBondContact O-CB 3.33Å; G186-L190 WeakPolarHBondContact O-CG 3.31Å; G186-L190 PolarHBondContact O-N 2.93Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.39Å; L190-C193 WeakPolarHBondContact O-CB 3.44Å; L190-C193 PolarHBondContact O-N 3.4Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.47Å |
| 191 | A | 96.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L142 M143 Q187 L188 V194 L195 | L142-A191 HydrophobicContact CB-CB 4.1Å; L142-A191 HydrophobicContact CD1-CB 4.46Å; M143-A191 HydrophobicContact CG-CB 3.98Å; M143-A191 HydrophobicContact SD-CB 3.59Å; M143-A191 VanDerWaalsContact SD-CB 3.59Å; Q187-A191 WeakPolarHBondContact O-CB 2.97Å; Q187-A191 PolarHBondContact O-N 3.05Å; L188-A191 PolarHBondContact O-N 3.38Å; A191-V194 PolarHBondContact O-N 2.85Å; A191-L195 PolarHBondContact O-N 2.91Å |
| 192 | L | 96.7 | Very high | 97.1 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 172.8 | 179.3 | 62.1 | 0 | 0 | 0 | 111.3 | L188 S189 L190 V194 L195 L196 | L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 PolarHBondContact O-N 3.47Å; S189-L192 WeakPolarHBondContact O-CB 3.48Å; S189-L192 PolarHBondContact O-N 2.92Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.39Å; L192-V194 VanDerWaalsContact C-N 3.3Å; L192-V194 PolarHBondContact O-N 3.46Å; L192-L195 WeakPolarHBondContact O-CB 3.32Å; L192-L195 PolarHBondContact O-N 3.05Å; L192-L195 VanDerWaalsContact O-N 3.12Å; L192-L196 HydrophobicContact CD1-CD1 4.3Å; L192-L196 HydrophobicContact CD1-CD2 4.49Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.3Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 2.92Å |
| 193 | C | 97.7 | Very high | 97.1 | Very high | 73 Ų | 73 | 57 Ų | 57 | 49% | 0.493 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 174 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | S189 L190 L195 L196 C197 | S189-C193 PolarHBondContact O-N 3.21Å; S189-C193 PolarHBondContact O-SG 3.42Å; S189-C193 VanDerWaalsContact O-SG 3.32Å; L190-C193 WeakPolarHBondContact O-CB 3.44Å; L190-C193 PolarHBondContact O-N 3.4Å; C193-L195 VanDerWaalsContact C-N 3.34Å; C193-L195 PolarHBondContact O-N 2.89Å; C193-L196 PolarHBondContact O-N 3.4Å; C193-C197 PolarHBondContact O-N 3.47Å; C193-C197 PolarHBondContact O-SG 3.47Å |
| 194 | V | 97.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L135 T138 L142 L190 A191 L192 L196 C197 | L135-V194 HydrophobicContact CB-CG1 4.39Å; L135-V194 HydrophobicContact CD2-CG1 4.29Å; L135-V194 WeakPolarHBondContact O-CG1 3.41Å; T138-V194 HydrophobicContact CG2-CG2 4.19Å; L142-V194 HydrophobicContact CD1-CG2 4.44Å; L190-V194 WeakPolarHBondContact O-CG2 3.36Å; L190-V194 PolarHBondContact O-N 3.47Å; A191-V194 PolarHBondContact O-N 2.85Å; L192-V194 VanDerWaalsContact C-N 3.3Å; L192-V194 PolarHBondContact O-N 3.46Å; V194-L196 VanDerWaalsContact C-N 3.35Å; V194-L196 PolarHBondContact O-N 3.3Å; V194-C197 WeakPolarHBondContact O-CB 3.48Å; V194-C197 PolarHBondContact O-N 3.3Å |
| 195 | L | 96.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.4 | -178.3 | 62.4 | 0 | 0 | 0 | 111.9 | A191 L192 C193 C197 L198 I203 | A191-L195 PolarHBondContact O-N 2.91Å; L192-L195 WeakPolarHBondContact O-CB 3.32Å; L192-L195 PolarHBondContact O-N 3.05Å; L192-L195 VanDerWaalsContact O-N 3.12Å; C193-L195 VanDerWaalsContact C-N 3.34Å; C193-L195 PolarHBondContact O-N 2.89Å; L195-C197 PolarHBondContact O-N 3.01Å; L195-L198 HydrophobicContact CD1-CD1 4.18Å; L195-L198 WeakPolarHBondContact O-CB 3.36Å; L195-L198 PolarHBondContact O-N 3.48Å; L195-I203 VanDerWaalsContact O-CG1 3.31Å; L195-I203 WeakPolarHBondContact O-CG1 3.23Å |
| 196 | L | 97.2 | Very high | 97 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 53% | 0.534 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69 | -14 | 179.3 | -67.7 | 176 | 0 | 0 | 0 | 113.6 | L192 C193 V194 I203 | L192-L196 HydrophobicContact CD1-CD1 4.3Å; L192-L196 HydrophobicContact CD1-CD2 4.49Å; L192-L196 HydrophobicContact CD1-CG 4.12Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.3Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 2.92Å; C193-L196 PolarHBondContact O-N 3.4Å; V194-L196 VanDerWaalsContact C-N 3.35Å; V194-L196 PolarHBondContact O-N 3.3Å; L196-I203 HydrophobicContact CD2-CD1 4.26Å; L196-I203 HydrophobicContact CD2-CG2 4.38Å |
| 197 | C | 96.8 | Very high | 96.9 | Very high | 87 Ų | 87 | 57 Ų | 57 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.3 | 170.1 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | C193 V194 L195 | C193-C197 PolarHBondContact O-N 3.47Å; C193-C197 PolarHBondContact O-SG 3.47Å; V194-C197 WeakPolarHBondContact O-CB 3.48Å; V194-C197 PolarHBondContact O-N 3.3Å; L195-C197 PolarHBondContact O-N 3.01Å |
| 198 | L | 96.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -91 | 172.4 | 178.6 | -54 | -176 | 0 | 0 | 0 | 111.7 | M132 F136 L195 I203 L240 A244 | M132-L198 HydrophobicContact SD-CD2 4.06Å; F136-L198 HydrophobicContact CE2-CD1 4.17Å; F136-L198 HydrophobicContact CE2-CD2 4.23Å; F136-L198 HydrophobicContact CZ-CD1 4.13Å; L195-L198 HydrophobicContact CD1-CD1 4.18Å; L195-L198 WeakPolarHBondContact O-CB 3.36Å; L195-L198 PolarHBondContact O-N 3.48Å; L198-I203 WeakPolarHBondContact O-CD1 3.02Å; L198-L240 HydrophobicContact CD1-CD1 4.46Å; L198-A244 HydrophobicContact CD1-CB 4.43Å; L198-A244 HydrophobicContact CD2-CB 4.29Å |
| 199 | N | 97.1 | Very high | 96.7 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | trans | -68.1 | 160.3 | 174.6 | 67.4 | 71.1 | 0 | 0 | 0 | 112.1 | Y201 S202 I203 A243 A244 | N199-Y201 VanDerWaalsContact C-N 3.28Å; N199-Y201 PolarHBondContact O-N 3.47Å; N199-Y201 WeakPolarHBondContact OD1-CB 3.32Å; N199-Y201 PolarHBondContact OD1-N 3.28Å; N199-S202 PolarHBondContact ND2-OG 3.46Å; N199-S202 WeakPolarHBondContact O-CB 3.39Å; N199-S202 PolarHBondContact O-N 2.81Å; N199-S202 VanDerWaalsContact O-N 3.08Å; N199-S202 PolarHBondContact OD1-N 2.84Å; N199-S202 PolarHBondContact OD1-OG 3.24Å; N199-I203 WeakPolarHBondContact O-CG1 3.35Å; N199-I203 PolarHBondContact O-N 3.19Å; N199-A243 PolarHBondContact ND2-O 2.84Å; N199-A244 WeakPolarHBondContact ND2-CA 3.49Å; N199-A244 PolarHBondContact ND2-O 2.99Å | ||
| 200 | Y | 97.1 | Very high | 96.3 | Very high | 206 Ų | 206 | 57.5 Ų | 57.5 | 81% | 0.808 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -56.8 | -37.7 | -176.1 | -71.8 | -68.7 | 0 | 0 | 0 | 114.2 | I203 A204 | Y200-I203 PolarHBondContact O-N 3.42Å; Y200-A204 PolarHBondContact O-N 2.82Å |
| 201 | Y | 97.4 | Very high | 96 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.8 | -176 | -87.2 | 0 | 0 | 0 | 110.5 | N199 I203 A204 L205 A243 G247 C249 W251 | N199-Y201 VanDerWaalsContact C-N 3.28Å; N199-Y201 PolarHBondContact O-N 3.47Å; N199-Y201 WeakPolarHBondContact OD1-CB 3.32Å; N199-Y201 PolarHBondContact OD1-N 3.28Å; Y201-I203 PolarHBondContact O-N 2.9Å; Y201-A204 PolarHBondContact O-N 2.86Å; Y201-L205 HydrophobicContact CE1-CD2 4.05Å; Y201-L205 VanDerWaalsContact O-CB 3.29Å; Y201-L205 WeakPolarHBondContact O-CB 3.16Å; Y201-L205 PolarHBondContact O-N 3.33Å; Y201-A243 HydrophobicContact CD1-CB 3.71Å; Y201-A243 HydrophobicContact CE1-CB 3.83Å; Y201-G247 WeakPolarHBondContact CB-O 3.48Å; Y201-C249 HydrophobicContact CE1-CB 4.27Å; Y201-W251 WeakPolarHBondContact OH-CZ2 3.43Å |
| 202 | S | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 173.8 | -68 | 0 | 0 | 0 | 0 | 113.2 | N199 L205 G206 L240 A243 A244 | N199-S202 PolarHBondContact ND2-OG 3.46Å; N199-S202 WeakPolarHBondContact O-CB 3.39Å; N199-S202 PolarHBondContact O-N 2.81Å; N199-S202 VanDerWaalsContact O-N 3.08Å; N199-S202 PolarHBondContact OD1-N 2.84Å; N199-S202 PolarHBondContact OD1-OG 3.24Å; S202-L205 PolarHBondContact O-N 3.4Å; S202-G206 WeakPolarHBondContact O-CA 3.48Å; S202-G206 PolarHBondContact O-N 2.92Å; S202-L240 WeakPolarHBondContact O-CD1 3.34Å; S202-A243 WeakPolarHBondContact OG-CB 3.42Å; S202-A243 PolarHBondContact OG-O 3.12Å; S202-A244 WeakPolarHBondContact OG-CA 3.36Å; S202-A244 PolarHBondContact OG-N 3.48Å |
| 203 | I | 97.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.195 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 175.1 | -68.4 | 166.9 | 0 | 0 | 0 | 110.1 | L195 L196 L198 N199 Y200 Y201 G206 A207 | L195-I203 VanDerWaalsContact O-CG1 3.31Å; L195-I203 WeakPolarHBondContact O-CG1 3.23Å; L196-I203 HydrophobicContact CD2-CD1 4.26Å; L196-I203 HydrophobicContact CD2-CG2 4.38Å; L198-I203 WeakPolarHBondContact O-CD1 3.02Å; N199-I203 WeakPolarHBondContact O-CG1 3.35Å; N199-I203 PolarHBondContact O-N 3.19Å; Y200-I203 PolarHBondContact O-N 3.42Å; Y201-I203 PolarHBondContact O-N 2.9Å; I203-G206 PolarHBondContact O-N 2.95Å; I203-A207 WeakPolarHBondContact O-CB 3.13Å; I203-A207 PolarHBondContact O-N 2.98Å |
| 204 | A | 97.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 57 Ų | 57 | 52% | 0.521 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | Y200 Y201 A207 S208 | Y200-A204 PolarHBondContact O-N 2.82Å; Y201-A204 PolarHBondContact O-N 2.86Å; A204-A207 PolarHBondContact O-N 3.37Å; A204-S208 PolarHBondContact O-N 3.18Å |
| 205 | L | 96.8 | Very high | 94.2 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.105 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -37 | 178 | -175.2 | 63.3 | 0 | 0 | 0 | 112.4 | Y201 S202 S208 W236 L239 L240 A243 | Y201-L205 HydrophobicContact CE1-CD2 4.05Å; Y201-L205 VanDerWaalsContact O-CB 3.29Å; Y201-L205 WeakPolarHBondContact O-CB 3.16Å; Y201-L205 PolarHBondContact O-N 3.33Å; S202-L205 PolarHBondContact O-N 3.4Å; L205-S208 PolarHBondContact O-OG 2.84Å; L205-W236 HydrophobicContact CD1-CZ2 3.97Å; L205-W236 PolarHBondContact O-NE1 3.47Å; L205-L239 HydrophobicContact CD2-CB 4.07Å; L205-L240 HydrophobicContact CB-CD1 4.37Å; L205-L240 HydrophobicContact CD2-CD1 4.49Å; L205-A243 HydrophobicContact CD2-CB 3.88Å |
| 206 | G | 95.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S202 I203 S208 S209 | S202-G206 WeakPolarHBondContact O-CA 3.48Å; S202-G206 PolarHBondContact O-N 2.92Å; I203-G206 PolarHBondContact O-N 2.95Å; G206-S208 VanDerWaalsContact C-N 3.34Å; G206-S208 PolarHBondContact O-N 2.86Å; G206-S209 VanDerWaalsContact O-CB 3.32Å; G206-S209 WeakPolarHBondContact O-CB 3.42Å; G206-S209 PolarHBondContact O-N 3.14Å; G206-S209 PolarHBondContact O-OG 2.93Å |
| 207 | A | 94.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | I203 A204 S209 L210 | I203-A207 WeakPolarHBondContact O-CB 3.13Å; I203-A207 PolarHBondContact O-N 2.98Å; A204-A207 PolarHBondContact O-N 3.37Å; A207-S209 PolarHBondContact O-N 3.24Å; A207-L210 VanDerWaalsContact O-CB 3.32Å; A207-L210 WeakPolarHBondContact O-CB 3.32Å; A207-L210 WeakPolarHBondContact O-CG 3.42Å; A207-L210 PolarHBondContact O-N 3.29Å; A207-L210 VanDerWaalsContact O-N 3.14Å |
| 208 | S | 95.3 | Very high | 92.2 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -24.2 | 178.5 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | A204 L205 G206 L210 S211 W236 | A204-S208 PolarHBondContact O-N 3.18Å; L205-S208 PolarHBondContact O-OG 2.84Å; G206-S208 VanDerWaalsContact C-N 3.34Å; G206-S208 PolarHBondContact O-N 2.86Å; S208-L210 PolarHBondContact O-N 3.16Å; S208-S211 PolarHBondContact O-N 2.84Å; S208-S211 PolarHBondContact O-OG 3Å; S208-W236 WeakPolarHBondContact OG-CZ2 3.38Å |
| 209 | S | 93.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23 | 174.4 | 79.4 | 0 | 0 | 0 | 0 | 113.9 | G206 A207 S211 L212 V213 W236 | G206-S209 VanDerWaalsContact O-CB 3.32Å; G206-S209 WeakPolarHBondContact O-CB 3.42Å; G206-S209 PolarHBondContact O-N 3.14Å; G206-S209 PolarHBondContact O-OG 2.93Å; A207-S209 PolarHBondContact O-N 3.24Å; S209-S211 PolarHBondContact O-N 3.47Å; S209-L212 WeakPolarHBondContact O-CB 3.49Å; S209-L212 PolarHBondContact O-N 3.47Å; S209-V213 PolarHBondContact O-N 2.89Å; S209-V213 VanDerWaalsContact O-N 3.14Å; S209-W236 VanDerWaalsContact CB-CD1 3.44Å |
| 210 | L | 89.3 | Confident | 90.8 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 44% | 0.44 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -31.1 | -179.7 | -68.2 | 175.4 | 0 | 0 | 0 | 112.3 | A207 S208 L212 V213 I214 | A207-L210 VanDerWaalsContact O-CB 3.32Å; A207-L210 WeakPolarHBondContact O-CB 3.32Å; A207-L210 WeakPolarHBondContact O-CG 3.42Å; A207-L210 PolarHBondContact O-N 3.29Å; A207-L210 VanDerWaalsContact O-N 3.14Å; S208-L210 PolarHBondContact O-N 3.16Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.22Å; L210-V213 PolarHBondContact O-N 3.4Å; L210-I214 WeakPolarHBondContact O-CB 3.36Å; L210-I214 VanDerWaalsContact O-CG1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.15Å; L210-I214 PolarHBondContact O-N 3Å |
| 211 | S | 91.1 | Very high | 90 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57 | -43.5 | 174.2 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | S208 S209 T215 | S208-S211 PolarHBondContact O-N 2.84Å; S208-S211 PolarHBondContact O-OG 3Å; S209-S211 PolarHBondContact O-N 3.47Å; S211-T215 VanDerWaalsContact O-CB 3.3Å; S211-T215 WeakPolarHBondContact O-CB 3.47Å; S211-T215 PolarHBondContact O-N 3.38Å; S211-T215 VanDerWaalsContact O-N 3.15Å; S211-T215 PolarHBondContact O-OG1 3.44Å |
| 212 | L | 91.3 | Very high | 89.4 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.4 | -43.3 | 177.5 | -65.3 | 175.4 | 0 | 0 | 0 | 111.7 | S209 L210 I214 T215 Y216 F232 W236 | S209-L212 WeakPolarHBondContact O-CB 3.49Å; S209-L212 PolarHBondContact O-N 3.47Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 3.22Å; L212-I214 VanDerWaalsContact C-N 3.3Å; L212-I214 PolarHBondContact O-N 3.29Å; L212-T215 PolarHBondContact O-N 3.45Å; L212-T215 VanDerWaalsContact O-N 3.15Å; L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 PolarHBondContact O-N 2.95Å; L212-F232 HydrophobicContact CD1-CB 3.98Å; L212-F232 HydrophobicContact CD2-CB 4.41Å; L212-W236 HydrophobicContact CD1-CD2 4.45Å; L212-W236 HydrophobicContact CD1-CE3 3.49Å; L212-W236 VanDerWaalsContact CD1-CE3 3.49Å; L212-W236 HydrophobicContact CD1-CH2 4.36Å; L212-W236 HydrophobicContact CD1-CZ3 3.44Å; L212-W236 VanDerWaalsContact CD1-CZ3 3.44Å |
| 213 | V | 87.7 | Confident | 89 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 179.2 | 176 | 0 | 0 | 0 | 0 | 111.3 | S209 L210 P217 T233 | S209-V213 PolarHBondContact O-N 2.89Å; S209-V213 VanDerWaalsContact O-N 3.14Å; L210-V213 PolarHBondContact O-N 3.4Å; V213-P217 VanDerWaalsContact O-CD 3.31Å; V213-P217 WeakPolarHBondContact O-CD 3.34Å; V213-T233 HydrophobicContact CB-CG2 4.48Å; V213-T233 HydrophobicContact CG2-CG2 3.72Å |
| 214 | I | 86 | Confident | 88.6 | Confident | 114 Ų | 114 | 62 Ų | 62 | 59% | 0.585 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70 | -38.4 | 178.2 | -67.2 | 166.4 | 0 | 0 | 0 | 111 | L210 L212 P217 | L210-I214 WeakPolarHBondContact O-CB 3.36Å; L210-I214 VanDerWaalsContact O-CG1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.15Å; L210-I214 PolarHBondContact O-N 3Å; L212-I214 VanDerWaalsContact C-N 3.3Å; L212-I214 PolarHBondContact O-N 3.29Å; I214-P217 WeakPolarHBondContact O-CD 3.24Å |
| 215 | T | 86.4 | Confident | 88.2 | Confident | 58 Ų | 58 | 62.4 Ų | 62.4 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -75.8 | -36.2 | -174.8 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | S211 L212 L218 M219 | S211-T215 VanDerWaalsContact O-CB 3.3Å; S211-T215 WeakPolarHBondContact O-CB 3.47Å; S211-T215 PolarHBondContact O-N 3.38Å; S211-T215 VanDerWaalsContact O-N 3.15Å; S211-T215 PolarHBondContact O-OG1 3.44Å; L212-T215 PolarHBondContact O-N 3.45Å; L212-T215 VanDerWaalsContact O-N 3.15Å; T215-L218 WeakPolarHBondContact O-CB 3.08Å; T215-L218 PolarHBondContact O-N 3.47Å; T215-L218 VanDerWaalsContact O-N 3.12Å; T215-M219 HydrophobicContact CG2-CE 3.72Å; T215-M219 HydrophobicContact CG2-CG 4.22Å; T215-M219 HydrophobicContact CG2-SD 4.26Å; T215-M219 PolarHBondContact O-N 3.37Å |
| 216 | Y | 85.8 | Confident | 87.9 | Confident | 43 Ų | 43 | 61.8 Ų | 61.8 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -51.4 | -48.9 | -172.5 | 160.6 | -106.7 | 0 | 0 | 0 | 114.6 | L212 L218 M219 K220 V229 L230 | L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 PolarHBondContact O-N 2.95Å; Y216-L218 PolarHBondContact O-N 3.46Å; Y216-M219 WeakPolarHBondContact O-CB 3.45Å; Y216-M219 PolarHBondContact O-N 3.23Å; Y216-K220 WeakPolarHBondContact OH-CE 3.29Å; Y216-V229 HydrophobicContact CD2-CG1 4.5Å; Y216-L230 HydrophobicContact CD2-CB 4.03Å; Y216-L230 HydrophobicContact CD2-CD1 4.33Å; Y216-L230 HydrophobicContact CE1-CD1 4.08Å; Y216-L230 HydrophobicContact CE2-CB 3.59Å; Y216-L230 HydrophobicContact CE2-CD1 3.82Å; Y216-L230 HydrophobicContact CE2-CG 4.21Å |
| 217 | P | 80.4 | Confident | 87.8 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -26.9 | -176.3 | -27.7 | 39.8 | 0 | 0 | 0 | 113.7 | W154 V213 I214 M219 | W154-P217 HydrophobicContact CE3-CB 3.86Å; W154-P217 HydrophobicContact CE3-CG 4.34Å; W154-P217 HydrophobicContact CZ3-CB 3.47Å; W154-P217 VanDerWaalsContact CZ3-CB 3.47Å; W154-P217 HydrophobicContact CZ3-CG 3.69Å; V213-P217 VanDerWaalsContact O-CD 3.31Å; V213-P217 WeakPolarHBondContact O-CD 3.34Å; I214-P217 WeakPolarHBondContact O-CD 3.24Å; P217-M219 VanDerWaalsContact C-N 3.33Å |
| 218 | L | 82.5 | Confident | 87.8 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.5 | -29.3 | 176.3 | -58.3 | 175.9 | 0 | 0 | 0 | 111.7 | T215 Y216 K220 R221 I222 | T215-L218 WeakPolarHBondContact O-CB 3.08Å; T215-L218 PolarHBondContact O-N 3.47Å; T215-L218 VanDerWaalsContact O-N 3.12Å; Y216-L218 PolarHBondContact O-N 3.46Å; L218-K220 VanDerWaalsContact C-N 3.28Å; L218-K220 PolarHBondContact O-N 3.49Å; L218-R221 PolarHBondContact O-N 3.24Å; L218-I222 HydrophobicContact CB-CD1 4.43Å |
| 219 | M | 85.1 | Confident | 87.7 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -29.9 | -173.5 | -64.8 | -64.5 | 106.1 | 0 | 0 | 113.2 | T215 Y216 P217 R221 I222 T223 V229 | T215-M219 HydrophobicContact CG2-CE 3.72Å; T215-M219 HydrophobicContact CG2-CG 4.22Å; T215-M219 HydrophobicContact CG2-SD 4.26Å; T215-M219 PolarHBondContact O-N 3.37Å; Y216-M219 WeakPolarHBondContact O-CB 3.45Å; Y216-M219 PolarHBondContact O-N 3.23Å; P217-M219 VanDerWaalsContact C-N 3.33Å; M219-R221 PolarHBondContact O-N 3.25Å; M219-R221 VanDerWaalsContact O-N 3.08Å; M219-I222 HydrophobicContact CE-CD1 3.84Å; M219-I222 PolarHBondContact O-N 2.88Å; M219-I222 VanDerWaalsContact O-N 3.11Å; M219-T223 HydrophobicContact CB-CG2 4Å; M219-T223 VanDerWaalsContact O-CG2 3.27Å; M219-T223 WeakPolarHBondContact O-CG2 3.42Å; M219-T223 PolarHBondContact O-N 3.41Å; M219-T223 HydrophobicContact SD-CG2 4.4Å; M219-V229 HydrophobicContact CB-CB 4.42Å; M219-V229 HydrophobicContact CB-CG2 4.28Å; M219-V229 HydrophobicContact CG-CB 4.1Å; M219-V229 HydrophobicContact CG-CG1 3.97Å; M219-V229 HydrophobicContact CG-CG2 3.85Å; M219-V229 HydrophobicContact SD-CG2 4.38Å |
| 220 | K | 77.8 | Confident | 87.7 | Confident | 59 Ų | 59 | 60 Ų | 60 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57 | -24.5 | 174 | -65.2 | -179.9 | 176.4 | 176.2 | 0 | 113.2 | Y216 L218 P226 V285 K286 | Y216-K220 WeakPolarHBondContact OH-CE 3.29Å; L218-K220 VanDerWaalsContact C-N 3.28Å; L218-K220 PolarHBondContact O-N 3.49Å; K220-P226 HydrophobicContact CB-CB 4.47Å; K220-P226 HydrophobicContact CG-CB 3.86Å; K220-P226 HydrophobicContact CG-CG 4.43Å; K220-V285 HydrophobicContact CB-CG1 4.48Å; K220-K286 PolarHBondContact O-N 3.27Å |
| 221 | R | 81.1 | Confident | 87.9 | Confident | 169 Ų | 169 | 56 Ų | 56 | 64% | 0.638 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -95.9 | -19.8 | -178.3 | -56.8 | -175.4 | -177.7 | -155.5 | -0.5 | 113 | L218 M219 | L218-R221 PolarHBondContact O-N 3.24Å; M219-R221 PolarHBondContact O-N 3.25Å; M219-R221 VanDerWaalsContact O-N 3.08Å |
| 222 | I | 85.3 | Confident | 88.1 | Confident | 114 Ų | 114 | 56 Ų | 56 | 59% | 0.585 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -106.5 | -39.2 | -169.2 | -58.9 | 168.8 | 0 | 0 | 0 | 111.1 | L218 M219 | L218-I222 HydrophobicContact CB-CD1 4.43Å; M219-I222 HydrophobicContact CE-CD1 3.84Å; M219-I222 PolarHBondContact O-N 2.88Å; M219-I222 VanDerWaalsContact O-N 3.11Å |
| 223 | T | 89.5 | Confident | 88.3 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | trans | -125.5 | 156.6 | -171.2 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | M219 W225 P226 K286 | M219-T223 HydrophobicContact CB-CG2 4Å; M219-T223 VanDerWaalsContact O-CG2 3.27Å; M219-T223 WeakPolarHBondContact O-CG2 3.42Å; M219-T223 PolarHBondContact O-N 3.41Å; M219-T223 HydrophobicContact SD-CG2 4.4Å; T223-W225 PolarHBondContact OG1-N 3.5Å; T223-W225 VanDerWaalsContact OG1-N 3.12Å; T223-P226 WeakPolarHBondContact O-CD 3.18Å; T223-K286 VanDerWaalsContact O-CB 3.23Å; T223-K286 WeakPolarHBondContact O-CB 3.27Å | ||
| 224 | Y | 87.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 41% | 0.408 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -79.8 | 0.3 | 167.1 | -74 | -85.6 | 0 | 0 | 0 | 113.3 | P226 K286 S287 T288 M291 | Y224-P226 WeakPolarHBondContact O-CD 3.39Å; Y224-K286 HydrophobicContact CD1-CB 3.71Å; Y224-K286 HydrophobicContact CD1-CG 4.07Å; Y224-K286 HydrophobicContact CD2-CB 4.43Å; Y224-K286 HydrophobicContact CD2-CD 3.92Å; Y224-K286 HydrophobicContact CD2-CG 4.37Å; Y224-K286 HydrophobicContact CE1-CB 3.89Å; Y224-K286 HydrophobicContact CE1-CD 4.29Å; Y224-K286 HydrophobicContact CE1-CG 3.76Å; Y224-K286 HydrophobicContact CE2-CD 3.69Å; Y224-K286 HydrophobicContact CE2-CG 4.1Å; Y224-K286 HydrophobicContact CG-CB 3.99Å; Y224-K286 HydrophobicContact CG-CD 4.33Å; Y224-K286 HydrophobicContact CG-CG 4.36Å; Y224-S287 CarbonylContact O-C 3.16Å; Y224-T288 WeakPolarHBondContact O-CA 3.47Å; Y224-T288 WeakPolarHBondContact O-CG2 3.43Å; Y224-T288 PolarHBondContact O-N 3.22Å; Y224-M291 HydrophobicContact CD1-CB 4.15Å; Y224-M291 HydrophobicContact CG-CB 4.38Å |
| 225 | W | 90.4 | Very high | 89 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | trans | -114.2 | 40.7 | 179.9 | -65.9 | 88 | 0 | 0 | 0 | 114.5 | T223 Q227 L228 L266 T288 M291 F292 W299 F303 | T223-W225 PolarHBondContact OG1-N 3.5Å; T223-W225 VanDerWaalsContact OG1-N 3.12Å; W225-Q227 PolarHBondContact O-N 3.33Å; W225-L228 HydrophobicContact CB-CB 4.19Å; W225-L228 HydrophobicContact CE3-CB 4.37Å; W225-L228 WeakPolarHBondContact O-CB 3.46Å; W225-L228 PolarHBondContact O-N 3.3Å; W225-L266 HydrophobicContact CE3-CD2 4.37Å; W225-L266 HydrophobicContact CZ3-CD2 4.45Å; W225-T288 HydrophobicContact CD2-CG2 4.16Å; W225-T288 HydrophobicContact CE3-CG2 3.76Å; W225-T288 HydrophobicContact CZ3-CG2 4.26Å; W225-M291 HydrophobicContact CD2-CE 4.04Å; W225-M291 HydrophobicContact CH2-CE 4.03Å; W225-M291 HydrophobicContact CZ2-CE 3.24Å; W225-M291 HydrophobicContact CZ2-SD 4.38Å; W225-M291 PolarHBondContact NE1-SD 3.24Å; W225-F292 HydrophobicContact CH2-CE1 4.03Å; W225-F292 AromaticContact CH2-CZ 3.48Å; W225-F292 HydrophobicContact CH2-CZ 3.48Å; W225-F292 VanDerWaalsContact CH2-CZ 3.48Å; W225-F292 HydrophobicContact CZ2-CE1 4.15Å; W225-F292 AromaticContact CZ2-CZ 3.99Å; W225-F292 HydrophobicContact CZ2-CZ 3.99Å; W225-F292 AromaticContact CZ3-CZ 3.87Å; W225-F292 HydrophobicContact CZ3-CZ 3.87Å; W225-W299 HydrophobicContact CH2-CZ3 4.4Å; W225-F303 AromaticContact CH2-CZ 3.97Å; W225-F303 HydrophobicContact CH2-CZ 3.97Å; W225-F303 HydrophobicContact CZ3-CE1 4.43Å; W225-F303 AromaticContact CZ3-CZ 3.77Å; W225-F303 HydrophobicContact CZ3-CZ 3.77Å | ||
| 226 | P | 90.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -27 | 176.5 | 27.2 | -33.6 | 0 | 0 | 0 | 112.2 | K220 T223 Y224 L228 V229 L230 K286 | K220-P226 HydrophobicContact CB-CB 4.47Å; K220-P226 HydrophobicContact CG-CB 3.86Å; K220-P226 HydrophobicContact CG-CG 4.43Å; T223-P226 WeakPolarHBondContact O-CD 3.18Å; Y224-P226 WeakPolarHBondContact O-CD 3.39Å; P226-L228 VanDerWaalsContact C-N 3.27Å; P226-L228 PolarHBondContact O-N 3.43Å; P226-V229 PolarHBondContact O-N 3.14Å; P226-L230 WeakPolarHBondContact O-CB 3.4Å; P226-L230 PolarHBondContact O-N 2.97Å; P226-K286 WeakPolarHBondContact CG-O 3.1Å |
| 227 | Q | 92.5 | Very high | 89.9 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -36.1 | 173.8 | -68.7 | 72 | 12 | 0 | 0 | 112.2 | W225 L230 G231 L266 D269 T288 | W225-Q227 PolarHBondContact O-N 3.33Å; Q227-L230 WeakPolarHBondContact O-CB 3.35Å; Q227-G231 PolarHBondContact O-N 2.95Å; Q227-L266 HydrophobicContact CB-CD2 3.75Å; Q227-D269 HydrophobicContact CG-CB 4.11Å; Q227-D269 WeakPolarHBondContact CG-OD2 3.39Å; Q227-T288 HydrophobicContact CB-CG2 4.15Å; Q227-T288 HydrophobicContact CG-CG2 4.19Å; Q227-T288 VanDerWaalsContact CG-OG1 3.32Å; Q227-T288 WeakPolarHBondContact CG-OG1 3.4Å; Q227-T288 PolarHBondContact NE2-OG1 2.83Å; Q227-T288 VanDerWaalsContact OE1-N 3.16Å; Q227-T288 PolarHBondContact OE1-OG1 3.18Å |
| 228 | L | 94.8 | Very high | 90.6 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.4 | -44.3 | 179.2 | -179.3 | 62.8 | 0 | 0 | 0 | 110.9 | W225 P226 L230 G231 F232 V262 L266 | W225-L228 HydrophobicContact CB-CB 4.19Å; W225-L228 HydrophobicContact CE3-CB 4.37Å; W225-L228 WeakPolarHBondContact O-CB 3.46Å; W225-L228 PolarHBondContact O-N 3.3Å; P226-L228 VanDerWaalsContact C-N 3.27Å; P226-L228 PolarHBondContact O-N 3.43Å; L228-L230 VanDerWaalsContact C-N 3.33Å; L228-G231 WeakPolarHBondContact O-CA 3.03Å; L228-G231 PolarHBondContact O-N 3.48Å; L228-G231 VanDerWaalsContact O-N 3.13Å; L228-F232 HydrophobicContact CD1-CE1 4.4Å; L228-F232 HydrophobicContact CD1-CE2 4.21Å; L228-F232 HydrophobicContact CD1-CZ 3.92Å; L228-F232 HydrophobicContact CD2-CE2 4.28Å; L228-F232 HydrophobicContact CD2-CZ 4.44Å; L228-F232 HydrophobicContact CG-CD2 4.48Å; L228-F232 HydrophobicContact CG-CE2 3.81Å; L228-F232 HydrophobicContact CG-CZ 4.02Å; L228-F232 PolarHBondContact O-N 2.93Å; L228-V262 HydrophobicContact CD1-CG1 3.71Å; L228-L266 HydrophobicContact CB-CD2 4.03Å; L228-L266 HydrophobicContact CD1-CD1 4.12Å; L228-L266 HydrophobicContact CD1-CD2 4.43Å |
| 229 | V | 93.7 | Very high | 91.3 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 14% | 0.139 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.4 | -35.2 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | Y216 M219 P226 G231 F232 T233 | Y216-V229 HydrophobicContact CD2-CG1 4.5Å; M219-V229 HydrophobicContact CB-CB 4.42Å; M219-V229 HydrophobicContact CB-CG2 4.28Å; M219-V229 HydrophobicContact CG-CB 4.1Å; M219-V229 HydrophobicContact CG-CG1 3.97Å; M219-V229 HydrophobicContact CG-CG2 3.85Å; M219-V229 HydrophobicContact SD-CG2 4.38Å; P226-V229 PolarHBondContact O-N 3.14Å; V229-G231 VanDerWaalsContact C-N 3.31Å; V229-F232 PolarHBondContact O-N 2.89Å; V229-T233 PolarHBondContact O-N 2.88Å; V229-T233 PolarHBondContact O-OG1 3.17Å |
| 230 | L | 92.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 168.5 | -176.2 | 64 | 0 | 0 | 0 | 110.8 | Y216 P226 Q227 L228 F232 T233 F234 T265 D269 | Y216-L230 HydrophobicContact CD2-CB 4.03Å; Y216-L230 HydrophobicContact CD2-CD1 4.33Å; Y216-L230 HydrophobicContact CE1-CD1 4.08Å; Y216-L230 HydrophobicContact CE2-CB 3.59Å; Y216-L230 HydrophobicContact CE2-CD1 3.82Å; Y216-L230 HydrophobicContact CE2-CG 4.21Å; P226-L230 WeakPolarHBondContact O-CB 3.4Å; P226-L230 PolarHBondContact O-N 2.97Å; Q227-L230 WeakPolarHBondContact O-CB 3.35Å; L228-L230 VanDerWaalsContact C-N 3.33Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.43Å; L230-T233 PolarHBondContact O-N 2.65Å; L230-F234 HydrophobicContact CD1-CD1 3.47Å; L230-F234 VanDerWaalsContact CD1-CD1 3.47Å; L230-F234 HydrophobicContact CD1-CE1 3.39Å; L230-F234 HydrophobicContact CD1-CG 4.13Å; L230-F234 HydrophobicContact CD1-CZ 3.97Å; L230-F234 HydrophobicContact CG-CD1 4.2Å; L230-F234 HydrophobicContact CG-CE1 4.44Å; L230-F234 HydrophobicContact CG-CG 4.41Å; L230-F234 WeakPolarHBondContact O-CB 3.45Å; L230-F234 PolarHBondContact O-N 3.25Å; L230-T265 HydrophobicContact CB-CG2 4.44Å; L230-T265 HydrophobicContact CD2-CG2 4.24Å; L230-T265 HydrophobicContact CG-CG2 4.17Å; L230-D269 HydrophobicContact CD2-CB 4.28Å; L230-D269 VanDerWaalsContact CD2-CG 3.46Å; L230-D269 VanDerWaalsContact CD2-OD2 3.24Å; L230-D269 WeakPolarHBondContact CD2-OD2 3.46Å |
| 231 | G | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.6 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q227 L228 V229 T233 N235 | Q227-G231 PolarHBondContact O-N 2.95Å; L228-G231 WeakPolarHBondContact O-CA 3.03Å; L228-G231 PolarHBondContact O-N 3.48Å; L228-G231 VanDerWaalsContact O-N 3.13Å; V229-G231 VanDerWaalsContact C-N 3.31Å; G231-T233 VanDerWaalsContact C-N 3.28Å; G231-T233 PolarHBondContact O-N 3.38Å; G231-N235 WeakPolarHBondContact O-CB 3.29Å; G231-N235 PolarHBondContact O-N 3.11Å; G231-N235 VanDerWaalsContact O-N 3.09Å; G231-N235 PolarHBondContact O-ND2 3.47Å |
| 232 | F | 96 | Very high | 93.5 | Very high | 72 Ų | 72 | 30.5 Ų | 30.5 | 32% | 0.316 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 175.7 | -64.9 | -40.7 | 0 | 0 | 0 | 112.7 | L212 L228 V229 L230 Y258 V262 | L212-F232 HydrophobicContact CD1-CB 3.98Å; L212-F232 HydrophobicContact CD2-CB 4.41Å; L228-F232 HydrophobicContact CD1-CE1 4.4Å; L228-F232 HydrophobicContact CD1-CE2 4.21Å; L228-F232 HydrophobicContact CD1-CZ 3.92Å; L228-F232 HydrophobicContact CD2-CE2 4.28Å; L228-F232 HydrophobicContact CD2-CZ 4.44Å; L228-F232 HydrophobicContact CG-CD2 4.48Å; L228-F232 HydrophobicContact CG-CE2 3.81Å; L228-F232 HydrophobicContact CG-CZ 4.02Å; L228-F232 PolarHBondContact O-N 2.93Å; V229-F232 PolarHBondContact O-N 2.89Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 3.43Å; F232-Y258 WeakPolarHBondContact CA-OH 3.47Å; F232-Y258 VanDerWaalsContact CB-OH 3.29Å; F232-Y258 WeakPolarHBondContact CB-OH 3.36Å; F232-Y258 HydrophobicContact CD1-CE1 4.04Å; F232-Y258 AromaticContact CD1-CZ 3.94Å; F232-Y258 WeakPolarHBondContact CD1-OH 3.46Å; F232-Y258 PolarHBondContact O-OH 3.28Å; F232-V262 HydrophobicContact CD1-CG1 4.03Å; F232-V262 HydrophobicContact CD1-CG2 3.68Å; F232-V262 HydrophobicContact CE1-CG1 3.95Å; F232-V262 HydrophobicContact CE1-CG2 4.12Å |
| 233 | T | 94 | Very high | 94 | Very high | 21 Ų | 21 | 25 Ų | 25 | 13% | 0.129 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.7 | -46.8 | -178.3 | -50 | 0 | 0 | 0 | 0 | 112 | V213 V229 L230 G231 | V213-T233 HydrophobicContact CB-CG2 4.48Å; V213-T233 HydrophobicContact CG2-CG2 3.72Å; V229-T233 PolarHBondContact O-N 2.88Å; V229-T233 PolarHBondContact O-OG1 3.17Å; L230-T233 PolarHBondContact O-N 2.65Å; G231-T233 VanDerWaalsContact C-N 3.28Å; G231-T233 PolarHBondContact O-N 3.38Å |
| 234 | F | 93.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 23.5 Ų | 23.5 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.9 | -29.1 | -174.2 | -92.1 | 39 | 0 | 0 | 0 | 113 | L109 L110 L230 | L109-F234 HydrophobicContact CB-CD2 4.07Å; L109-F234 HydrophobicContact CB-CE2 4.13Å; L110-F234 HydrophobicContact CD1-CB 4.49Å; L110-F234 HydrophobicContact CD1-CD1 4.34Å; L110-F234 HydrophobicContact CD1-CG 4.33Å; L230-F234 HydrophobicContact CD1-CD1 3.47Å; L230-F234 VanDerWaalsContact CD1-CD1 3.47Å; L230-F234 HydrophobicContact CD1-CE1 3.39Å; L230-F234 HydrophobicContact CD1-CG 4.13Å; L230-F234 HydrophobicContact CD1-CZ 3.97Å; L230-F234 HydrophobicContact CG-CD1 4.2Å; L230-F234 HydrophobicContact CG-CE1 4.44Å; L230-F234 HydrophobicContact CG-CG 4.41Å; L230-F234 WeakPolarHBondContact O-CB 3.45Å; L230-F234 PolarHBondContact O-N 3.25Å |
| 235 | N | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2 | -176.4 | -63.9 | -82.5 | 0 | 0 | 0 | 113.1 | P113 G231 G237 A238 Y258 G261 V262 T265 | P113-N235 HydrophobicContact CB-CB 4.48Å; P113-N235 HydrophobicContact CG-CB 4.44Å; P113-N235 WeakPolarHBondContact CG-OD1 3.38Å; G231-N235 WeakPolarHBondContact O-CB 3.29Å; G231-N235 PolarHBondContact O-N 3.11Å; G231-N235 VanDerWaalsContact O-N 3.09Å; G231-N235 PolarHBondContact O-ND2 3.47Å; N235-G237 PolarHBondContact O-N 3.3Å; N235-A238 WeakPolarHBondContact O-CB 3.45Å; N235-A238 PolarHBondContact O-N 2.96Å; N235-Y258 HydrophobicContact CB-CD2 3.82Å; N235-Y258 HydrophobicContact CB-CE2 3.9Å; N235-Y258 WeakPolarHBondContact O-CD2 3.32Å; N235-G261 VanDerWaalsContact CG-CA 3.49Å; N235-G261 PolarHBondContact ND2-O 3.13Å; N235-G261 VanDerWaalsContact ND2-O 3.07Å; N235-G261 WeakPolarHBondContact OD1-CA 3.34Å; N235-G261 PolarHBondContact OD1-O 3.42Å; N235-V262 HydrophobicContact CB-CG2 4.3Å; N235-V262 PolarHBondContact ND2-N 3.35Å; N235-T265 PolarHBondContact ND2-OG1 3.32Å |
| 236 | W | 96.8 | Very high | 95 | Very high | 43 Ų | 43 | 21.8 Ų | 21.8 | 16% | 0.163 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.2 | 178.2 | -157.6 | -94.4 | 0 | 0 | 0 | 112.9 | L205 S208 S209 L212 A238 L239 L240 Y258 | L205-W236 HydrophobicContact CD1-CZ2 3.97Å; L205-W236 PolarHBondContact O-NE1 3.47Å; S208-W236 WeakPolarHBondContact OG-CZ2 3.38Å; S209-W236 VanDerWaalsContact CB-CD1 3.44Å; L212-W236 HydrophobicContact CD1-CD2 4.45Å; L212-W236 HydrophobicContact CD1-CE3 3.49Å; L212-W236 VanDerWaalsContact CD1-CE3 3.49Å; L212-W236 HydrophobicContact CD1-CH2 4.36Å; L212-W236 HydrophobicContact CD1-CZ3 3.44Å; L212-W236 VanDerWaalsContact CD1-CZ3 3.44Å; W236-A238 PolarHBondContact O-N 3.27Å; W236-L239 HydrophobicContact CD2-CD1 4.46Å; W236-L239 HydrophobicContact CE3-CD1 4.4Å; W236-L239 HydrophobicContact CZ3-CD1 4.43Å; W236-L239 PolarHBondContact O-N 3.23Å; W236-L240 PolarHBondContact O-N 3.24Å; W236-Y258 HydrophobicContact CE3-CE2 4.23Å |
| 237 | G | 94.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 23 Ų | 23 | 9% | 0.093 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.3 | -29.7 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | C114 N235 L239 L240 G241 | C114-G237 WeakPolarHBondContact SG-CA 3.12Å; N235-G237 PolarHBondContact O-N 3.3Å; G237-L239 VanDerWaalsContact C-N 3.26Å; G237-L239 PolarHBondContact O-N 3.46Å; G237-L240 PolarHBondContact O-N 3.32Å; G237-G241 PolarHBondContact O-N 3.23Å |
| 238 | A | 95.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -29 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P113 S117 N235 W236 L257 Y258 | P113-A238 HydrophobicContact CB-CB 4.13Å; P113-A238 WeakPolarHBondContact O-CA 3.49Å; S117-A238 VanDerWaalsContact CB-O 3.24Å; S117-A238 WeakPolarHBondContact CB-O 3.5Å; S117-A238 PolarHBondContact OG-O 2.93Å; N235-A238 WeakPolarHBondContact O-CB 3.45Å; N235-A238 PolarHBondContact O-N 2.96Å; W236-A238 PolarHBondContact O-N 3.27Å; A238-L257 HydrophobicContact CB-CD2 4.14Å; A238-L257 HydrophobicContact CB-CG 4.09Å; A238-Y258 HydrophobicContact CB-CD2 4.42Å |
| 239 | L | 97.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -86.3 | -45.9 | 173.9 | -54 | 179.6 | 0 | 0 | 0 | 110.1 | L205 W236 G237 G241 A243 W251 C254 Y258 | L205-L239 HydrophobicContact CD2-CB 4.07Å; W236-L239 HydrophobicContact CD2-CD1 4.46Å; W236-L239 HydrophobicContact CE3-CD1 4.4Å; W236-L239 HydrophobicContact CZ3-CD1 4.43Å; W236-L239 PolarHBondContact O-N 3.23Å; G237-L239 VanDerWaalsContact C-N 3.26Å; G237-L239 PolarHBondContact O-N 3.46Å; L239-G241 PolarHBondContact O-N 3.3Å; L239-A243 WeakPolarHBondContact O-CB 3.43Å; L239-A243 PolarHBondContact O-N 2.85Å; L239-W251 HydrophobicContact CD1-CZ3 4.49Å; L239-W251 HydrophobicContact CD2-CZ3 4.15Å; L239-C254 HydrophobicContact CD2-CB 3.75Å; L239-Y258 HydrophobicContact CD1-CD1 4.49Å; L239-Y258 HydrophobicContact CD1-CD2 4.4Å; L239-Y258 HydrophobicContact CD1-CG 4.33Å; L239-Y258 HydrophobicContact CD2-CG 4.12Å; L239-Y258 HydrophobicContact CG-CD2 4.15Å; L239-Y258 HydrophobicContact CG-CG 4.12Å |
| 240 | L | 97.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 12% | 0.12 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.3 | -34.5 | -174.2 | -172.4 | 60.2 | 0 | 0 | 0 | 113.1 | F136 L198 S202 L205 W236 G237 A244 | F136-L240 HydrophobicContact CE1-CB 4.12Å; F136-L240 HydrophobicContact CE1-CD2 3.96Å; F136-L240 HydrophobicContact CE1-CG 3.8Å; F136-L240 HydrophobicContact CZ-CB 4.42Å; F136-L240 HydrophobicContact CZ-CD2 4.32Å; F136-L240 HydrophobicContact CZ-CG 3.84Å; L198-L240 HydrophobicContact CD1-CD1 4.46Å; S202-L240 WeakPolarHBondContact O-CD1 3.34Å; L205-L240 HydrophobicContact CB-CD1 4.37Å; L205-L240 HydrophobicContact CD2-CD1 4.49Å; W236-L240 PolarHBondContact O-N 3.24Å; G237-L240 PolarHBondContact O-N 3.32Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 3.39Å |
| 241 | G | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -50.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G237 L239 A244 V245 | G237-G241 PolarHBondContact O-N 3.23Å; L239-G241 PolarHBondContact O-N 3.3Å; G241-A244 WeakPolarHBondContact O-CB 3.26Å; G241-A244 PolarHBondContact O-N 3.34Å; G241-V245 PolarHBondContact O-N 2.86Å |
| 242 | W | 95.6 | Very high | 96 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 177.3 | -174.5 | -73.5 | 0 | 0 | 0 | 111.1 | S117 L120 A121 A244 V245 K246 D250 V253 C254 | S117-W242 VanDerWaalsContact OG-CB 3.3Å; S117-W242 WeakPolarHBondContact OG-CB 3.36Å; S117-W242 PolarHBondContact OG-N 3.26Å; L120-W242 VanDerWaalsContact C-CZ3 3.44Å; L120-W242 HydrophobicContact CB-CE3 4.32Å; L120-W242 HydrophobicContact CB-CZ3 3.94Å; L120-W242 VanDerWaalsContact O-CZ3 3.27Å; L120-W242 WeakPolarHBondContact O-CZ3 3.12Å; A121-W242 HydrophobicContact CB-CB 4.33Å; A121-W242 HydrophobicContact CB-CD2 3.71Å; A121-W242 HydrophobicContact CB-CE3 3.55Å; A121-W242 HydrophobicContact CB-CG 4.07Å; A121-W242 HydrophobicContact CB-CZ3 4.08Å; W242-A244 PolarHBondContact O-N 2.88Å; W242-V245 PolarHBondContact O-N 3.18Å; W242-V245 VanDerWaalsContact O-N 3.15Å; W242-K246 PolarHBondContact O-N 2.74Å; W242-D250 HydrophobicContact CZ2-CB 3.69Å; W242-V253 HydrophobicContact CE3-CG1 4.08Å; W242-V253 HydrophobicContact CH2-CB 4.13Å; W242-V253 HydrophobicContact CH2-CG1 4.1Å; W242-V253 HydrophobicContact CH2-CG2 4.06Å; W242-V253 HydrophobicContact CZ3-CB 4.07Å; W242-V253 HydrophobicContact CZ3-CG1 3.59Å; W242-V253 HydrophobicContact CZ3-CG2 4.4Å; W242-C254 VanDerWaalsContact CB-SG 3.54Å |
| 243 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.9 | -39.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N199 Y201 S202 L205 L239 V245 G247 | N199-A243 PolarHBondContact ND2-O 2.84Å; Y201-A243 HydrophobicContact CD1-CB 3.71Å; Y201-A243 HydrophobicContact CE1-CB 3.83Å; S202-A243 WeakPolarHBondContact OG-CB 3.42Å; S202-A243 PolarHBondContact OG-O 3.12Å; L205-A243 HydrophobicContact CD2-CB 3.88Å; L239-A243 WeakPolarHBondContact O-CB 3.43Å; L239-A243 PolarHBondContact O-N 2.85Å; A243-V245 VanDerWaalsContact C-N 3.34Å; A243-V245 PolarHBondContact O-N 3.01Å; A243-G247 WeakPolarHBondContact O-CA 3.48Å; A243-G247 PolarHBondContact O-N 2.97Å |
| 244 | A | 96.9 | Very high | 96 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M132 F136 L198 N199 S202 L240 G241 W242 | M132-A244 HydrophobicContact SD-CB 4.25Å; F136-A244 HydrophobicContact CE2-CB 3.61Å; F136-A244 HydrophobicContact CZ-CB 3.72Å; L198-A244 HydrophobicContact CD1-CB 4.43Å; L198-A244 HydrophobicContact CD2-CB 4.29Å; N199-A244 WeakPolarHBondContact ND2-CA 3.49Å; N199-A244 PolarHBondContact ND2-O 2.99Å; S202-A244 WeakPolarHBondContact OG-CA 3.36Å; S202-A244 PolarHBondContact OG-N 3.48Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 3.39Å; G241-A244 WeakPolarHBondContact O-CB 3.26Å; G241-A244 PolarHBondContact O-N 3.34Å; W242-A244 PolarHBondContact O-N 2.88Å |
| 245 | V | 95.1 | Very high | 96.2 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 33% | 0.333 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -81.1 | -46.6 | -179.7 | 178 | 0 | 0 | 0 | 0 | 111.9 | I118 A121 G241 W242 A243 | I118-V245 HydrophobicContact CB-CG2 4.4Å; I118-V245 HydrophobicContact CG1-CG2 4.33Å; I118-V245 HydrophobicContact CG2-CG2 4.02Å; A121-V245 HydrophobicContact CB-CB 3.84Å; A121-V245 HydrophobicContact CB-CG1 3.96Å; A121-V245 HydrophobicContact CB-CG2 4.22Å; G241-V245 PolarHBondContact O-N 2.86Å; W242-V245 PolarHBondContact O-N 3.18Å; W242-V245 VanDerWaalsContact O-N 3.15Å; A243-V245 VanDerWaalsContact C-N 3.34Å; A243-V245 PolarHBondContact O-N 3.01Å |
| 246 | K | 95.3 | Very high | 96.3 | Very high | 85 Ų | 85 | 34.5 Ų | 34.5 | 37% | 0.37 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -98.5 | -8.5 | -171.7 | -66.9 | -71.8 | 177.3 | 173.3 | 0 | 114.5 | A121 E123 W242 S248 | A121-K246 HydrophobicContact CB-CG 4.31Å; A121-K246 WeakPolarHBondContact O-CE 3.39Å; E123-K246 IonicContact OE1-NZ 2.63Å; E123-K246 PolarHBondContact OE1-NZ 3.13Å; E123-K246 IonicContact OE2-NZ 3.65Å; W242-K246 PolarHBondContact O-N 2.74Å; K246-S248 PolarHBondContact O-N 3.27Å |
| 247 | G | 95.8 | Very high | 96.3 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 73.1 | 2.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y201 A243 | Y201-G247 WeakPolarHBondContact CB-O 3.48Å; A243-G247 WeakPolarHBondContact O-CA 3.48Å; A243-G247 PolarHBondContact O-N 2.97Å |
| 248 | S | 96.1 | Very high | 96.4 | Very high | 62 Ų | 62 | 33.6 Ų | 33.6 | 43% | 0.434 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -156.4 | 164 | 175.8 | 63.1 | 0 | 0 | 0 | 0 | 109.6 | K246 | K246-S248 PolarHBondContact O-N 3.27Š|
| 249 | C | 96.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | trans | -93.9 | 124.9 | 172.6 | -77.8 | 0 | 0 | 0 | 0 | 111.1 | Y201 W251 | Y201-C249 HydrophobicContact CE1-CB 4.27Å; C249-W251 HydrophobicContact CB-CD2 4.06Å; C249-W251 HydrophobicContact CB-CE3 4.3Å; C249-W251 HydrophobicContact CB-CH2 4.11Å; C249-W251 HydrophobicContact CB-CZ2 3.84Å; C249-W251 HydrophobicContact CB-CZ3 4.33Å; C249-W251 PolarHBondContact O-N 3.03Å | ||
| 250 | D | 96.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 37.1 Ų | 37.1 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | trans | -80.8 | 100.5 | 158.7 | -175.3 | -17.3 | 0 | 0 | 0 | 108.5 | W242 S252 V253 C254 | W242-D250 HydrophobicContact CZ2-CB 3.69Å; D250-S252 PolarHBondContact O-N 2.98Å; D250-S252 VanDerWaalsContact OD1-CB 3.32Å; D250-S252 WeakPolarHBondContact OD1-CB 3.35Å; D250-S252 PolarHBondContact OD1-N 3.46Å; D250-S252 PolarHBondContact OD1-OG 2.91Å; D250-S252 PolarHBondContact OD2-OG 3.38Å; D250-V253 PolarHBondContact O-N 3.35Å; D250-V253 VanDerWaalsContact O-N 3.13Å; D250-C254 VanDerWaalsContact O-CB 3.28Å; D250-C254 WeakPolarHBondContact O-CB 3.5Å; D250-C254 PolarHBondContact O-N 2.97Å; D250-C254 PolarHBondContact O-SG 3.19Å | ||
| 251 | W | 97.3 | Very high | 96.4 | Very high | 131 Ų | 131 | 36 Ų | 36 | 50% | 0.496 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.8 | -22.4 | -176.2 | -62.6 | 108.9 | 0 | 0 | 0 | 113.6 | Y201 L239 C249 V253 L255 | Y201-W251 WeakPolarHBondContact OH-CZ2 3.43Å; L239-W251 HydrophobicContact CD1-CZ3 4.49Å; L239-W251 HydrophobicContact CD2-CZ3 4.15Å; C249-W251 HydrophobicContact CB-CD2 4.06Å; C249-W251 HydrophobicContact CB-CE3 4.3Å; C249-W251 HydrophobicContact CB-CH2 4.11Å; C249-W251 HydrophobicContact CB-CZ2 3.84Å; C249-W251 HydrophobicContact CB-CZ3 4.33Å; C249-W251 PolarHBondContact O-N 3.03Å; W251-V253 VanDerWaalsContact C-N 3.26Å; W251-V253 PolarHBondContact O-N 2.99Å; W251-L255 WeakPolarHBondContact O-CB 3.46Å; W251-L255 PolarHBondContact O-N 2.96Å |
| 252 | S | 96.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.3 | -29.1 | 176.9 | 75.9 | 0 | 0 | 0 | 0 | 112 | D250 P256 N317 | D250-S252 PolarHBondContact O-N 2.98Å; D250-S252 VanDerWaalsContact OD1-CB 3.32Å; D250-S252 WeakPolarHBondContact OD1-CB 3.35Å; D250-S252 PolarHBondContact OD1-N 3.46Å; D250-S252 PolarHBondContact OD1-OG 2.91Å; D250-S252 PolarHBondContact OD2-OG 3.38Å; S252-P256 VanDerWaalsContact O-CD 3.3Å; S252-P256 WeakPolarHBondContact O-CD 3.5Å; S252-P256 VanDerWaalsContact O-CG 3.29Å; S252-P256 WeakPolarHBondContact O-CG 3.31Å; S252-N317 PolarHBondContact O-ND2 3.15Å |
| 253 | V | 95.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -99.9 | -46 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | W242 D250 W251 L255 P256 L257 A314 N317 A318 | W242-V253 HydrophobicContact CE3-CG1 4.08Å; W242-V253 HydrophobicContact CH2-CB 4.13Å; W242-V253 HydrophobicContact CH2-CG1 4.1Å; W242-V253 HydrophobicContact CH2-CG2 4.06Å; W242-V253 HydrophobicContact CZ3-CB 4.07Å; W242-V253 HydrophobicContact CZ3-CG1 3.59Å; W242-V253 HydrophobicContact CZ3-CG2 4.4Å; D250-V253 PolarHBondContact O-N 3.35Å; D250-V253 VanDerWaalsContact O-N 3.13Å; W251-V253 VanDerWaalsContact C-N 3.26Å; W251-V253 PolarHBondContact O-N 2.99Å; V253-L255 PolarHBondContact O-N 2.71Å; V253-P256 WeakPolarHBondContact O-CD 3.33Å; V253-L257 VanDerWaalsContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CB 3.24Å; V253-L257 PolarHBondContact O-N 2.81Å; V253-L257 VanDerWaalsContact O-N 3.16Å; V253-A314 HydrophobicContact CG1-CB 4.44Å; V253-N317 HydrophobicContact CG2-CB 3.82Å; V253-A318 HydrophobicContact CG1-CB 4.01Å; V253-A318 HydrophobicContact CG2-CB 4.09Å |
| 254 | C | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | -172.8 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | L239 W242 D250 Y258 | L239-C254 HydrophobicContact CD2-CB 3.75Å; W242-C254 VanDerWaalsContact CB-SG 3.54Å; D250-C254 VanDerWaalsContact O-CB 3.28Å; D250-C254 WeakPolarHBondContact O-CB 3.5Å; D250-C254 PolarHBondContact O-N 2.97Å; D250-C254 PolarHBondContact O-SG 3.19Å; C254-Y258 VanDerWaalsContact O-CB 3.23Å; C254-Y258 WeakPolarHBondContact O-CB 3.47Å; C254-Y258 PolarHBondContact O-N 3.09Å |
| 255 | L | 97.4 | Very high | 96.3 | Very high | 100 Ų | 100 | 36.2 Ų | 36.2 | 52% | 0.524 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -72.2 | -46.1 | -174.2 | -161.2 | 157 | 0 | 0 | 0 | 111.9 | W251 V253 L257 Y258 F259 | W251-L255 WeakPolarHBondContact O-CB 3.46Å; W251-L255 PolarHBondContact O-N 2.96Å; V253-L255 PolarHBondContact O-N 2.71Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 3Å; L255-Y258 PolarHBondContact O-N 3.12Å; L255-F259 WeakPolarHBondContact O-CB 3.17Å; L255-F259 PolarHBondContact O-N 2.9Å |
| 256 | P | 97.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 14% | 0.143 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 172.1 | -24.3 | 36 | 0 | 0 | 0 | 113.3 | S252 V253 S260 G310 V313 A314 | S252-P256 VanDerWaalsContact O-CD 3.3Å; S252-P256 WeakPolarHBondContact O-CD 3.5Å; S252-P256 VanDerWaalsContact O-CG 3.29Å; S252-P256 WeakPolarHBondContact O-CG 3.31Å; V253-P256 WeakPolarHBondContact O-CD 3.33Å; P256-S260 WeakPolarHBondContact O-CB 3.43Å; P256-S260 PolarHBondContact O-N 3.05Å; P256-S260 PolarHBondContact O-OG 3.44Å; P256-G310 WeakPolarHBondContact CB-O 3.47Å; P256-V313 HydrophobicContact CB-CB 4.15Å; P256-V313 HydrophobicContact CB-CG1 4Å; P256-V313 HydrophobicContact CG-CB 4.42Å; P256-V313 HydrophobicContact CG-CG1 3.73Å; P256-A314 HydrophobicContact CB-CB 4.21Å |
| 257 | L | 96.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -47.5 | 175.4 | -177.5 | 66.6 | 0 | 0 | 0 | 111.5 | W116 L120 A238 V253 L255 S260 G261 L311 A314 | W116-L257 HydrophobicContact CB-CD1 4.27Å; W116-L257 HydrophobicContact CE3-CD1 4.26Å; L120-L257 HydrophobicContact CD1-CD1 4.07Å; L120-L257 HydrophobicContact CD1-CD2 4Å; A238-L257 HydrophobicContact CB-CD2 4.14Å; A238-L257 HydrophobicContact CB-CG 4.09Å; V253-L257 VanDerWaalsContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CB 3.24Å; V253-L257 PolarHBondContact O-N 2.81Å; V253-L257 VanDerWaalsContact O-N 3.16Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 3Å; L257-S260 WeakPolarHBondContact O-CB 3.2Å; L257-S260 PolarHBondContact O-N 3.17Å; L257-G261 PolarHBondContact O-N 3.49Å; L257-L311 HydrophobicContact CD1-CD2 3.89Å; L257-A314 HydrophobicContact CB-CB 4.21Å |
| 258 | Y | 97.5 | Very high | 96.1 | Very high | 30 Ų | 30 | 28.5 Ų | 28.5 | 12% | 0.118 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 176.3 | 176.8 | -115.3 | 0 | 0 | 0 | 111.7 | F232 N235 W236 A238 L239 C254 L255 S260 G261 V262 | F232-Y258 WeakPolarHBondContact CA-OH 3.47Å; F232-Y258 VanDerWaalsContact CB-OH 3.29Å; F232-Y258 WeakPolarHBondContact CB-OH 3.36Å; F232-Y258 HydrophobicContact CD1-CE1 4.04Å; F232-Y258 AromaticContact CD1-CZ 3.94Å; F232-Y258 WeakPolarHBondContact CD1-OH 3.46Å; F232-Y258 PolarHBondContact O-OH 3.28Å; N235-Y258 HydrophobicContact CB-CD2 3.82Å; N235-Y258 HydrophobicContact CB-CE2 3.9Å; N235-Y258 WeakPolarHBondContact O-CD2 3.32Å; W236-Y258 HydrophobicContact CE3-CE2 4.23Å; A238-Y258 HydrophobicContact CB-CD2 4.42Å; L239-Y258 HydrophobicContact CD1-CD1 4.49Å; L239-Y258 HydrophobicContact CD1-CD2 4.4Å; L239-Y258 HydrophobicContact CD1-CG 4.33Å; L239-Y258 HydrophobicContact CD2-CG 4.12Å; L239-Y258 HydrophobicContact CG-CD2 4.15Å; L239-Y258 HydrophobicContact CG-CG 4.12Å; C254-Y258 VanDerWaalsContact O-CB 3.23Å; C254-Y258 WeakPolarHBondContact O-CB 3.47Å; C254-Y258 PolarHBondContact O-N 3.09Å; L255-Y258 PolarHBondContact O-N 3.12Å; Y258-S260 VanDerWaalsContact C-N 3.28Å; Y258-S260 PolarHBondContact O-N 3.32Å; Y258-G261 PolarHBondContact O-N 2.78Å; Y258-V262 HydrophobicContact CD1-CG2 4.49Å; Y258-V262 HydrophobicContact CD2-CG2 4.45Å; Y258-V262 HydrophobicContact CE1-CG2 4.24Å; Y258-V262 HydrophobicContact CE2-CG2 4.19Å; Y258-V262 VanDerWaalsContact O-CG2 3.3Å; Y258-V262 WeakPolarHBondContact O-CG2 3.16Å; Y258-V262 PolarHBondContact O-N 3.29Å |
| 259 | F | 98 | Very high | 95.9 | Very high | 84 Ų | 84 | 26.7 Ų | 26.7 | 37% | 0.368 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -55.4 | -44.6 | 175 | 174.3 | -99.8 | 0 | 0 | 0 | 111.7 | L255 G261 V262 M263 A306 | L255-F259 WeakPolarHBondContact O-CB 3.17Å; L255-F259 PolarHBondContact O-N 2.9Å; F259-G261 PolarHBondContact O-N 2.89Å; F259-V262 PolarHBondContact O-N 3.08Å; F259-M263 HydrophobicContact CD1-CG 4.19Å; F259-M263 HydrophobicContact CD2-CE 4.18Å; F259-M263 HydrophobicContact CD2-CG 4.47Å; F259-M263 HydrophobicContact CE1-CG 3.74Å; F259-M263 HydrophobicContact CE2-CE 3.67Å; F259-M263 HydrophobicContact CE2-CG 4.06Å; F259-M263 HydrophobicContact CE2-SD 4.09Å; F259-M263 HydrophobicContact CZ-CE 4.11Å; F259-M263 HydrophobicContact CZ-CG 3.67Å; F259-M263 HydrophobicContact CZ-SD 3.9Å; F259-M263 WeakPolarHBondContact O-CG 3.43Å; F259-M263 PolarHBondContact O-N 2.91Å; F259-A306 HydrophobicContact CE1-CB 3.98Å; F259-A306 WeakPolarHBondContact CE1-O 3.46Å; F259-A306 HydrophobicContact CZ-CB 4.05Å |
| 260 | S | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | P256 L257 Y258 V262 M263 W264 M307 G310 L311 | P256-S260 WeakPolarHBondContact O-CB 3.43Å; P256-S260 PolarHBondContact O-N 3.05Å; P256-S260 PolarHBondContact O-OG 3.44Å; L257-S260 WeakPolarHBondContact O-CB 3.2Å; L257-S260 PolarHBondContact O-N 3.17Å; Y258-S260 VanDerWaalsContact C-N 3.28Å; Y258-S260 PolarHBondContact O-N 3.32Å; S260-V262 VanDerWaalsContact C-N 3.32Å; S260-V262 PolarHBondContact O-N 3.06Å; S260-M263 PolarHBondContact O-N 3.07Å; S260-W264 WeakPolarHBondContact O-CB 3.49Å; S260-W264 PolarHBondContact O-N 3.29Å; S260-M307 WeakPolarHBondContact CB-O 3.22Å; S260-M307 WeakPolarHBondContact O-CG 3.22Å; S260-M307 PolarHBondContact OG-O 2.92Å; S260-G310 WeakPolarHBondContact OG-CA 3.06Å; S260-L311 PolarHBondContact OG-N 2.82Å |
| 261 | G | 95.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N235 L257 Y258 F259 W264 T265 | N235-G261 VanDerWaalsContact CG-CA 3.49Å; N235-G261 PolarHBondContact ND2-O 3.13Å; N235-G261 VanDerWaalsContact ND2-O 3.07Å; N235-G261 WeakPolarHBondContact OD1-CA 3.34Å; N235-G261 PolarHBondContact OD1-O 3.42Å; L257-G261 PolarHBondContact O-N 3.49Å; Y258-G261 PolarHBondContact O-N 2.78Å; F259-G261 PolarHBondContact O-N 2.89Å; G261-W264 WeakPolarHBondContact O-CB 3.37Å; G261-W264 PolarHBondContact O-N 2.9Å; G261-T265 PolarHBondContact O-N 3.3Å; G261-T265 PolarHBondContact O-OG1 3.38Å |
| 262 | V | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.4 | 177 | 0 | 0 | 0 | 0 | 110.6 | L228 F232 N235 Y258 F259 S260 W264 T265 L266 | L228-V262 HydrophobicContact CD1-CG1 3.71Å; F232-V262 HydrophobicContact CD1-CG1 4.03Å; F232-V262 HydrophobicContact CD1-CG2 3.68Å; F232-V262 HydrophobicContact CE1-CG1 3.95Å; F232-V262 HydrophobicContact CE1-CG2 4.12Å; N235-V262 HydrophobicContact CB-CG2 4.3Å; N235-V262 PolarHBondContact ND2-N 3.35Å; Y258-V262 HydrophobicContact CD1-CG2 4.49Å; Y258-V262 HydrophobicContact CD2-CG2 4.45Å; Y258-V262 HydrophobicContact CE1-CG2 4.24Å; Y258-V262 HydrophobicContact CE2-CG2 4.19Å; Y258-V262 VanDerWaalsContact O-CG2 3.3Å; Y258-V262 WeakPolarHBondContact O-CG2 3.16Å; Y258-V262 PolarHBondContact O-N 3.29Å; F259-V262 PolarHBondContact O-N 3.08Å; S260-V262 VanDerWaalsContact C-N 3.32Å; S260-V262 PolarHBondContact O-N 3.06Å; V262-W264 VanDerWaalsContact C-N 3.32Å; V262-W264 PolarHBondContact O-N 2.99Å; V262-T265 WeakPolarHBondContact O-CB 3.48Å; V262-T265 PolarHBondContact O-N 3.11Å; V262-T265 VanDerWaalsContact O-N 3.15Å; V262-L266 PolarHBondContact O-N 3.4Å |
| 263 | M | 97.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 9% | 0.094 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.4 | -67.1 | -57.2 | 107.6 | 0 | 0 | 111.6 | F259 S260 T265 L266 V267 F303 A306 M307 | F259-M263 HydrophobicContact CD1-CG 4.19Å; F259-M263 HydrophobicContact CD2-CE 4.18Å; F259-M263 HydrophobicContact CD2-CG 4.47Å; F259-M263 HydrophobicContact CE1-CG 3.74Å; F259-M263 HydrophobicContact CE2-CE 3.67Å; F259-M263 HydrophobicContact CE2-CG 4.06Å; F259-M263 HydrophobicContact CE2-SD 4.09Å; F259-M263 HydrophobicContact CZ-CE 4.11Å; F259-M263 HydrophobicContact CZ-CG 3.67Å; F259-M263 HydrophobicContact CZ-SD 3.9Å; F259-M263 WeakPolarHBondContact O-CG 3.43Å; F259-M263 PolarHBondContact O-N 2.91Å; S260-M263 PolarHBondContact O-N 3.07Å; M263-T265 VanDerWaalsContact C-N 3.29Å; M263-T265 PolarHBondContact O-N 2.99Å; M263-L266 HydrophobicContact CE-CD1 3.75Å; M263-L266 WeakPolarHBondContact O-CB 3.49Å; M263-L266 PolarHBondContact O-N 2.9Å; M263-L266 HydrophobicContact SD-CD1 4Å; M263-V267 WeakPolarHBondContact O-CG2 3.5Å; M263-V267 PolarHBondContact O-N 3.21Å; M263-F303 HydrophobicContact SD-CD1 3.92Å; M263-A306 HydrophobicContact CG-CB 3.9Å; M263-A306 HydrophobicContact SD-CB 4.13Å; M263-M307 HydrophobicContact CB-CB 3.87Å |
| 264 | W | 95.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 18 Ų | 18 | 2% | 0.023 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 174.3 | -175.8 | 38.5 | 0 | 0 | 0 | 112.1 | L109 L112 W116 S260 G261 V262 L266 V267 Y268 M307 I361 | L109-W264 HydrophobicContact CD2-CH2 3.76Å; L109-W264 HydrophobicContact CD2-CZ2 4.19Å; L109-W264 HydrophobicContact CD2-CZ3 4.24Å; L112-W264 HydrophobicContact CB-CZ3 4.47Å; L112-W264 HydrophobicContact CD1-CH2 3.61Å; L112-W264 HydrophobicContact CD1-CZ3 4.05Å; W116-W264 HydrophobicContact CH2-CD2 4.23Å; W116-W264 AromaticContact CH2-CE3 3.4Å; W116-W264 HydrophobicContact CH2-CE3 3.4Å; W116-W264 VanDerWaalsContact CH2-CE3 3.4Å; W116-W264 HydrophobicContact CH2-CH2 4.31Å; W116-W264 AromaticContact CH2-CZ3 3.43Å; W116-W264 HydrophobicContact CH2-CZ3 3.43Å; W116-W264 VanDerWaalsContact CH2-CZ3 3.43Å; W116-W264 HydrophobicContact CZ2-CE3 4.22Å; W116-W264 HydrophobicContact CZ2-CH2 4.35Å; W116-W264 AromaticContact CZ2-CZ3 3.79Å; W116-W264 HydrophobicContact CZ2-CZ3 3.79Å; W116-W264 HydrophobicContact CZ3-CE3 4.16Å; W116-W264 HydrophobicContact CZ3-CZ3 4.41Å; S260-W264 WeakPolarHBondContact O-CB 3.49Å; S260-W264 PolarHBondContact O-N 3.29Å; G261-W264 WeakPolarHBondContact O-CB 3.37Å; G261-W264 PolarHBondContact O-N 2.9Å; V262-W264 VanDerWaalsContact C-N 3.32Å; V262-W264 PolarHBondContact O-N 2.99Å; W264-L266 VanDerWaalsContact C-N 3.33Å; W264-L266 PolarHBondContact O-N 3.45Å; W264-V267 WeakPolarHBondContact O-CA 3.27Å; W264-V267 WeakPolarHBondContact O-CB 3.3Å; W264-V267 PolarHBondContact O-N 3.4Å; W264-Y268 AromaticContact CD2-CD1 3.89Å; W264-Y268 HydrophobicContact CD2-CD1 3.89Å; W264-Y268 AromaticContact CD2-CE1 3.97Å; W264-Y268 HydrophobicContact CD2-CE1 3.97Å; W264-Y268 AromaticContact CE2-CD1 3.75Å; W264-Y268 HydrophobicContact CE3-CD1 4.48Å; W264-Y268 HydrophobicContact CE3-CE1 4.12Å; W264-Y268 HydrophobicContact CG-CD1 4.06Å; W264-Y268 HydrophobicContact CG-CE1 4.35Å; W264-Y268 HydrophobicContact CZ2-CD1 4.22Å; W264-Y268 HydrophobicContact CZ3-CE1 4.48Å; W264-Y268 AromaticContact NE1-CD1 3.82Å; W264-Y268 WeakPolarHBondContact O-CD1 3.38Å; W264-Y268 PolarHBondContact O-N 3.34Å; W264-M307 HydrophobicContact CB-CG 4.07Å; W264-M307 HydrophobicContact CB-SD 3.53Å; W264-M307 VanDerWaalsContact CB-SD 3.53Å; W264-M307 HydrophobicContact CG-SD 3.79Å; W264-I361 HydrophobicContact CD2-CD1 4.44Å; W264-I361 HydrophobicContact CH2-CB 4.31Å; W264-I361 HydrophobicContact CH2-CD1 4.41Å; W264-I361 HydrophobicContact CH2-CG2 3.63Å; W264-I361 HydrophobicContact CZ2-CB 3.93Å; W264-I361 HydrophobicContact CZ2-CD1 3.36Å; W264-I361 HydrophobicContact CZ2-CG1 4.22Å; W264-I361 HydrophobicContact CZ2-CG2 3.64Å; W264-I361 HydrophobicContact CZ3-CG2 4.34Å |
| 265 | T | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 174.4 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | L230 N235 G261 V262 M263 V267 Y268 D269 | L230-T265 HydrophobicContact CB-CG2 4.44Å; L230-T265 HydrophobicContact CD2-CG2 4.24Å; L230-T265 HydrophobicContact CG-CG2 4.17Å; N235-T265 PolarHBondContact ND2-OG1 3.32Å; G261-T265 PolarHBondContact O-N 3.3Å; G261-T265 PolarHBondContact O-OG1 3.38Å; V262-T265 WeakPolarHBondContact O-CB 3.48Å; V262-T265 PolarHBondContact O-N 3.11Å; V262-T265 VanDerWaalsContact O-N 3.15Å; M263-T265 VanDerWaalsContact C-N 3.29Å; M263-T265 PolarHBondContact O-N 2.99Å; T265-V267 PolarHBondContact O-N 2.85Å; T265-Y268 HydrophobicContact CG2-CE1 4.35Å; T265-Y268 HydrophobicContact CG2-CE2 4.13Å; T265-Y268 WeakPolarHBondContact CG2-OH 3.48Å; T265-Y268 PolarHBondContact OG1-OH 3.06Å; T265-D269 HydrophobicContact CG2-CB 4.29Å; T265-D269 WeakPolarHBondContact O-CB 3.48Å; T265-D269 PolarHBondContact O-N 3.47Å |
| 266 | L | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 172.4 | -67.1 | 175.1 | 0 | 0 | 0 | 111.9 | W225 Q227 L228 V262 M263 W264 T270 F303 | W225-L266 HydrophobicContact CE3-CD2 4.37Å; W225-L266 HydrophobicContact CZ3-CD2 4.45Å; Q227-L266 HydrophobicContact CB-CD2 3.75Å; L228-L266 HydrophobicContact CB-CD2 4.03Å; L228-L266 HydrophobicContact CD1-CD1 4.12Å; L228-L266 HydrophobicContact CD1-CD2 4.43Å; V262-L266 PolarHBondContact O-N 3.4Å; M263-L266 HydrophobicContact CE-CD1 3.75Å; M263-L266 WeakPolarHBondContact O-CB 3.49Å; M263-L266 PolarHBondContact O-N 2.9Å; M263-L266 HydrophobicContact SD-CD1 4Å; W264-L266 VanDerWaalsContact C-N 3.33Å; W264-L266 PolarHBondContact O-N 3.45Å; L266-T270 WeakPolarHBondContact O-CB 3.47Å; L266-T270 PolarHBondContact O-N 3.18Å; L266-T270 PolarHBondContact O-OG1 2.98Å; L266-F303 HydrophobicContact CB-CD1 4.48Å; L266-F303 HydrophobicContact CB-CD2 3.7Å; L266-F303 HydrophobicContact CB-CE2 3.97Å; L266-F303 HydrophobicContact CB-CG 4Å; L266-F303 HydrophobicContact CB-CZ 4.49Å; L266-F303 HydrophobicContact CD1-CD1 3.84Å; L266-F303 HydrophobicContact CD1-CD2 4.39Å; L266-F303 HydrophobicContact CD1-CE1 3.72Å; L266-F303 HydrophobicContact CD1-CE2 4.27Å; L266-F303 HydrophobicContact CD1-CG 4.2Å; L266-F303 HydrophobicContact CD1-CZ 3.95Å |
| 267 | V | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66 | -61.5 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | M263 W264 T265 I271 L300 F303 | M263-V267 WeakPolarHBondContact O-CG2 3.5Å; M263-V267 PolarHBondContact O-N 3.21Å; W264-V267 WeakPolarHBondContact O-CA 3.27Å; W264-V267 WeakPolarHBondContact O-CB 3.3Å; W264-V267 PolarHBondContact O-N 3.4Å; T265-V267 PolarHBondContact O-N 2.85Å; V267-I271 HydrophobicContact CG1-CD1 4.25Å; V267-I271 WeakPolarHBondContact O-CG1 3.39Å; V267-I271 PolarHBondContact O-N 3.45Å; V267-L300 HydrophobicContact CB-CD2 4.46Å; V267-L300 HydrophobicContact CG1-CD2 4.34Å; V267-L300 WeakPolarHBondContact O-CD2 3.39Å; V267-F303 HydrophobicContact CG2-CB 3.67Å |
| 268 | Y | 91.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73 | -35.5 | -171.4 | 72 | -113.3 | 0 | 0 | 0 | 112.8 | L109 W264 T265 I271 Y272 L354 | L109-Y268 HydrophobicContact CD1-CD2 4.22Å; L109-Y268 HydrophobicContact CD1-CE2 3.69Å; L109-Y268 HydrophobicContact CD2-CD1 4.2Å; L109-Y268 HydrophobicContact CD2-CE1 3.72Å; L109-Y268 HydrophobicContact CD2-CE2 4.28Å; W264-Y268 AromaticContact CD2-CD1 3.89Å; W264-Y268 HydrophobicContact CD2-CD1 3.89Å; W264-Y268 AromaticContact CD2-CE1 3.97Å; W264-Y268 HydrophobicContact CD2-CE1 3.97Å; W264-Y268 AromaticContact CE2-CD1 3.75Å; W264-Y268 HydrophobicContact CE3-CD1 4.48Å; W264-Y268 HydrophobicContact CE3-CE1 4.12Å; W264-Y268 HydrophobicContact CG-CD1 4.06Å; W264-Y268 HydrophobicContact CG-CE1 4.35Å; W264-Y268 HydrophobicContact CZ2-CD1 4.22Å; W264-Y268 HydrophobicContact CZ3-CE1 4.48Å; W264-Y268 AromaticContact NE1-CD1 3.82Å; W264-Y268 WeakPolarHBondContact O-CD1 3.38Å; W264-Y268 PolarHBondContact O-N 3.34Å; T265-Y268 HydrophobicContact CG2-CE1 4.35Å; T265-Y268 HydrophobicContact CG2-CE2 4.13Å; T265-Y268 WeakPolarHBondContact CG2-OH 3.48Å; T265-Y268 PolarHBondContact OG1-OH 3.06Å; Y268-I271 PolarHBondContact O-N 3.03Å; Y268-Y272 WeakPolarHBondContact O-CB 3.23Å; Y268-Y272 PolarHBondContact O-N 3.02Å; Y268-L354 HydrophobicContact CD2-CD1 4Å; Y268-L354 HydrophobicContact CG-CD1 4.2Å |
| 269 | D | 91.5 | Very high | 90.2 | Very high | 25 Ų | 25 | 26 Ų | 26 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -79.5 | -25.7 | -176.2 | -156.2 | 60.5 | 0 | 0 | 0 | 111.4 | Q227 L230 T265 Y272 A273 | Q227-D269 HydrophobicContact CG-CB 4.11Å; Q227-D269 WeakPolarHBondContact CG-OD2 3.39Å; L230-D269 HydrophobicContact CD2-CB 4.28Å; L230-D269 VanDerWaalsContact CD2-CG 3.46Å; L230-D269 VanDerWaalsContact CD2-OD2 3.24Å; L230-D269 WeakPolarHBondContact CD2-OD2 3.46Å; T265-D269 HydrophobicContact CG2-CB 4.29Å; T265-D269 WeakPolarHBondContact O-CB 3.48Å; T265-D269 PolarHBondContact O-N 3.47Å; D269-Y272 PolarHBondContact O-N 3.41Å; D269-A273 VanDerWaalsContact O-CB 3.29Å; D269-A273 WeakPolarHBondContact O-CB 3.32Å; D269-A273 PolarHBondContact O-N 2.79Å |
| 270 | T | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.2 | -40.8 | 168.7 | -60 | 0 | 0 | 0 | 0 | 111.2 | L266 Y272 A273 H274 T288 F292 T296 L300 | L266-T270 WeakPolarHBondContact O-CB 3.47Å; L266-T270 PolarHBondContact O-N 3.18Å; L266-T270 PolarHBondContact O-OG1 2.98Å; T270-Y272 VanDerWaalsContact C-N 3.29Å; T270-Y272 PolarHBondContact O-N 3.15Å; T270-A273 PolarHBondContact O-N 3.04Å; T270-H274 PolarHBondContact O-CD2 2.89Å; T270-H274 VanDerWaalsContact O-CD2 3.25Å; T270-H274 PolarHBondContact O-N 3.29Å; T270-T288 PolarHBondContact OG1-OG1 2.87Å; T270-F292 HydrophobicContact CG2-CD2 4.13Å; T270-T296 HydrophobicContact CG2-CG2 4.05Å; T270-L300 HydrophobicContact CG2-CD2 4.15Å |
| 271 | I | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 171.9 | -66.1 | 166.3 | 0 | 0 | 0 | 110 | V267 Y268 H274 L300 V342 C350 | V267-I271 HydrophobicContact CG1-CD1 4.25Å; V267-I271 WeakPolarHBondContact O-CG1 3.39Å; V267-I271 PolarHBondContact O-N 3.45Å; Y268-I271 PolarHBondContact O-N 3.03Å; I271-H274 PolarHBondContact O-N 3.25Å; I271-L300 HydrophobicContact CD1-CD1 4.08Å; I271-L300 HydrophobicContact CG1-CD1 3.68Å; I271-L300 HydrophobicContact CG1-CD2 4.34Å; I271-V342 HydrophobicContact CG2-CG2 4.11Å; I271-C350 HydrophobicContact CG2-CB 4.09Å |
| 272 | Y | 87.1 | Confident | 87.9 | Confident | 60 Ų | 60 | 34.8 Ų | 34.8 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.8 | -179 | -109.1 | 0 | 0 | 0 | 112.3 | R164 Y268 D269 T270 H274 Q275 W351 L354 | R164-Y272 PolarHBondContact NH1-OH 2.86Å; R164-Y272 VanDerWaalsContact NH1-OH 3.17Å; Y268-Y272 WeakPolarHBondContact O-CB 3.23Å; Y268-Y272 PolarHBondContact O-N 3.02Å; D269-Y272 PolarHBondContact O-N 3.41Å; T270-Y272 VanDerWaalsContact C-N 3.29Å; T270-Y272 PolarHBondContact O-N 3.15Å; Y272-H274 PolarHBondContact O-N 3.28Å; Y272-Q275 VanDerWaalsContact CD2-NE2 3.35Å; Y272-Q275 VanDerWaalsContact O-CB 3.22Å; Y272-Q275 WeakPolarHBondContact O-CB 3.47Å; Y272-Q275 WeakPolarHBondContact O-CG 3.44Å; Y272-Q275 PolarHBondContact O-N 3.2Å; Y272-W351 HydrophobicContact CD2-CE3 4.27Å; Y272-W351 HydrophobicContact CD2-CZ3 4.29Å; Y272-W351 AromaticContact CE2-CE3 3.96Å; Y272-W351 HydrophobicContact CE2-CE3 3.96Å; Y272-W351 AromaticContact CE2-CZ3 3.71Å; Y272-W351 HydrophobicContact CE2-CZ3 3.71Å; Y272-L354 HydrophobicContact CD2-CD2 3.55Å; Y272-L354 HydrophobicContact CE2-CD2 4.37Å; Y272-L354 HydrophobicContact CG-CD2 4.09Å |
| 273 | A | 87.4 | Confident | 86.7 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -24.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D269 T270 Q275 D276 K277 A289 | D269-A273 VanDerWaalsContact O-CB 3.29Å; D269-A273 WeakPolarHBondContact O-CB 3.32Å; D269-A273 PolarHBondContact O-N 2.79Å; T270-A273 PolarHBondContact O-N 3.04Å; A273-Q275 PolarHBondContact O-N 3.44Å; A273-D276 PolarHBondContact O-N 3.32Å; A273-K277 PolarHBondContact O-N 3Å; A273-A289 HydrophobicContact CB-CB 3.78Å |
| 274 | H | 87.8 | Confident | 85.8 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.6 | 172.2 | -81.4 | -68.6 | 0 | 0 | 0 | 113.5 | T270 I271 Y272 A289 T296 | T270-H274 PolarHBondContact O-CD2 2.89Å; T270-H274 VanDerWaalsContact O-CD2 3.25Å; T270-H274 PolarHBondContact O-N 3.29Å; I271-H274 PolarHBondContact O-N 3.25Å; Y272-H274 PolarHBondContact O-N 3.28Å; H274-A289 PolarHBondContact CE1-O 3.23Å; H274-T296 PolarHBondContact CE1-OG1 3.47Å; H274-T296 VanDerWaalsContact NE2-CG2 3.34Å; H274-T296 WeakPolarHBondContact NE2-CG2 3.33Å; H274-T296 PolarHBondContact NE2-OG1 2.89Å |
| 275 | Q | 83.8 | Confident | 85 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -35.2 | 174.4 | -62.1 | 176.2 | 41.2 | 0 | 0 | 112.7 | Y272 A273 A347 C350 W351 | Y272-Q275 VanDerWaalsContact CD2-NE2 3.35Å; Y272-Q275 VanDerWaalsContact O-CB 3.22Å; Y272-Q275 WeakPolarHBondContact O-CB 3.47Å; Y272-Q275 WeakPolarHBondContact O-CG 3.44Å; Y272-Q275 PolarHBondContact O-N 3.2Å; A273-Q275 PolarHBondContact O-N 3.44Å; Q275-A347 HydrophobicContact CB-CB 4.24Å; Q275-A347 HydrophobicContact CG-CB 4.33Å; Q275-A347 WeakPolarHBondContact CG-O 3.2Å; Q275-C350 HydrophobicContact CG-CB 3.54Å; Q275-C350 VanDerWaalsContact NE2-C 3.31Å; Q275-W351 VanDerWaalsContact NE2-N 3.12Å |
| 276 | D | 80 | Confident | 84.4 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -100.7 | 6.9 | -174.9 | -69.4 | -28 | 0 | 0 | 0 | 111.4 | R164 A273 E278 D279 D280 | R164-D276 IonicContact CZ-OD1 3.66Å; R164-D276 IonicContact CZ-OD2 3.54Å; R164-D276 IonicContact NE-OD1 3.75Å; R164-D276 IonicContact NH1-OD1 3.13Å; R164-D276 PolarHBondContact NH1-OD1 3.44Å; R164-D276 IonicContact NH1-OD2 2.72Å; R164-D276 PolarHBondContact NH1-OD2 3.48Å; R164-D276 IonicContact NH2-OD1 3.58Å; R164-D276 PolarHBondContact NH2-OD1 3.17Å; R164-D276 IonicContact NH2-OD2 3.54Å; R164-D276 PolarHBondContact NH2-OD2 3.33Å; A273-D276 PolarHBondContact O-N 3.32Å; D276-E278 PolarHBondContact O-N 2.89Å; D276-D279 PolarHBondContact O-N 2.62Å; D276-D279 VanDerWaalsContact O-N 3.11Å; D276-D280 WeakPolarHBondContact O-CB 3.5Å; D276-D280 PolarHBondContact O-N 3Å |
| 277 | K | 81.6 | Confident | 83.9 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.3 | -47 | -173.2 | -172.8 | -175.8 | 178 | -176.2 | 0 | 113.7 | A273 V281 L290 | A273-K277 PolarHBondContact O-N 3Å; K277-V281 VanDerWaalsContact O-CG2 3.31Å; K277-V281 WeakPolarHBondContact O-CG2 3.42Å; K277-V281 PolarHBondContact O-N 3.39Å; K277-L290 HydrophobicContact CG-CD2 3.63Å |
| 278 | E | 79.9 | Confident | 83.3 | Confident | 149 Ų | 149 | 45.5 Ų | 45.5 | 70% | 0.696 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.1 | -37.1 | -178.2 | -67.4 | -172.9 | -175.8 | 0 | 0 | 112.7 | D276 K282 | D276-E278 PolarHBondContact O-N 2.89Å; E278-K282 WeakPolarHBondContact O-CE 3.36Å; E278-K282 WeakPolarHBondContact O-CG 3.18Å; E278-K282 PolarHBondContact O-N 2.8Å |
| 279 | D | 76.6 | Confident | 83 | Confident | 60 Ų | 60 | 45 Ų | 45 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79 | -36.6 | -179.3 | -70 | -21.9 | 0 | 0 | 0 | 111 | D276 V281 K282 V283 | D276-D279 PolarHBondContact O-N 2.62Å; D276-D279 VanDerWaalsContact O-N 3.11Å; D279-V281 VanDerWaalsContact C-N 3.3Å; D279-V281 PolarHBondContact O-N 2.82Å; D279-K282 PolarHBondContact O-N 2.84Å; D279-K282 VanDerWaalsContact O-N 3.16Å; D279-K282 IonicContact OD1-NZ 2.9Å; D279-K282 PolarHBondContact OD1-NZ 3.22Å; D279-V283 WeakPolarHBondContact O-CG2 3.46Å; D279-V283 PolarHBondContact O-N 3.34Å |
| 280 | D | 79.4 | Confident | 82.6 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 173.4 | -79 | -8.3 | 0 | 0 | 0 | 111.4 | D276 V283 G284 V285 L290 | D276-D280 WeakPolarHBondContact O-CB 3.5Å; D276-D280 PolarHBondContact O-N 3Å; D280-V283 PolarHBondContact O-N 3.48Å; D280-G284 PolarHBondContact O-N 3.16Å; D280-V285 HydrophobicContact CB-CB 4.14Å; D280-V285 PolarHBondContact O-N 3Å; D280-L290 HydrophobicContact CB-CD1 4.18Å |
| 281 | V | 81.6 | Confident | 82.4 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 58% | 0.576 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | K277 D279 V283 G284 L290 | K277-V281 VanDerWaalsContact O-CG2 3.31Å; K277-V281 WeakPolarHBondContact O-CG2 3.42Å; K277-V281 PolarHBondContact O-N 3.39Å; D279-V281 VanDerWaalsContact C-N 3.3Å; D279-V281 PolarHBondContact O-N 2.82Å; V281-V283 VanDerWaalsContact C-N 3.29Å; V281-V283 PolarHBondContact O-N 2.88Å; V281-G284 PolarHBondContact O-N 3.11Å; V281-L290 HydrophobicContact CG2-CD1 4.29Å; V281-L290 HydrophobicContact CG2-CD2 3.43Å; V281-L290 VanDerWaalsContact CG2-CD2 3.43Å |
| 282 | K | 79.4 | Confident | 82.3 | Confident | 146 Ų | 146 | 48.8 Ų | 48.8 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65 | -34.6 | -179.3 | -66.9 | 166.9 | -158 | 156 | 0 | 112.2 | E278 D279 | E278-K282 WeakPolarHBondContact O-CE 3.36Å; E278-K282 WeakPolarHBondContact O-CG 3.18Å; E278-K282 PolarHBondContact O-N 2.8Å; D279-K282 PolarHBondContact O-N 2.84Å; D279-K282 VanDerWaalsContact O-N 3.16Å; D279-K282 IonicContact OD1-NZ 2.9Å; D279-K282 PolarHBondContact OD1-NZ 3.22Å |
| 283 | V | 73.6 | Confident | 82.3 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -94.1 | -6.6 | -176.5 | -174 | 0 | 0 | 0 | 0 | 112 | F158 D279 D280 V281 V285 | F158-V283 HydrophobicContact CD1-CG1 4.38Å; F158-V283 HydrophobicContact CE1-CG1 4.46Å; D279-V283 WeakPolarHBondContact O-CG2 3.46Å; D279-V283 PolarHBondContact O-N 3.34Å; D280-V283 PolarHBondContact O-N 3.48Å; V281-V283 VanDerWaalsContact C-N 3.29Å; V281-V283 PolarHBondContact O-N 2.88Å; V283-V285 VanDerWaalsContact C-N 3.33Å; V283-V285 HydrophobicContact CB-CG2 4.26Å; V283-V285 HydrophobicContact CG1-CG2 4.09Å |
| 284 | G | 77.4 | Confident | 82.3 | Confident | 58 Ų | 58 | 57.5 Ų | 57.5 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 22.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D280 V281 | D280-G284 PolarHBondContact O-N 3.16Å; V281-G284 PolarHBondContact O-N 3.11Å |
| 285 | V | 78.8 | Confident | 82.4 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | trans | -77.2 | 134.7 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 109 | K220 D280 V283 L290 | K220-V285 HydrophobicContact CB-CG1 4.48Å; D280-V285 HydrophobicContact CB-CB 4.14Å; D280-V285 PolarHBondContact O-N 3Å; V283-V285 VanDerWaalsContact C-N 3.33Å; V283-V285 HydrophobicContact CB-CG2 4.26Å; V283-V285 HydrophobicContact CG1-CG2 4.09Å; V285-L290 WeakPolarHBondContact O-CD1 3.41Å | ||
| 286 | K | 82.1 | Confident | 82.8 | Confident | 69 Ų | 69 | 64.2 Ų | 64.2 | 30% | 0.3 | 32% | 0.323 | S | S | . | . | trans | -96.5 | 138.4 | -179.2 | -65.2 | 175.4 | -179.7 | 170.7 | 0 | 110 | K220 T223 Y224 P226 | K220-K286 PolarHBondContact O-N 3.27Å; T223-K286 VanDerWaalsContact O-CB 3.23Å; T223-K286 WeakPolarHBondContact O-CB 3.27Å; Y224-K286 HydrophobicContact CD1-CB 3.71Å; Y224-K286 HydrophobicContact CD1-CG 4.07Å; Y224-K286 HydrophobicContact CD2-CB 4.43Å; Y224-K286 HydrophobicContact CD2-CD 3.92Å; Y224-K286 HydrophobicContact CD2-CG 4.37Å; Y224-K286 HydrophobicContact CE1-CB 3.89Å; Y224-K286 HydrophobicContact CE1-CD 4.29Å; Y224-K286 HydrophobicContact CE1-CG 3.76Å; Y224-K286 HydrophobicContact CE2-CD 3.69Å; Y224-K286 HydrophobicContact CE2-CG 4.1Å; Y224-K286 HydrophobicContact CG-CB 3.99Å; Y224-K286 HydrophobicContact CG-CD 4.33Å; Y224-K286 HydrophobicContact CG-CG 4.36Å; P226-K286 WeakPolarHBondContact CG-O 3.1Å | ||
| 287 | S | 84.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | trans | -150.5 | 159.8 | 180 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | Y224 A289 L290 M291 | Y224-S287 CarbonylContact O-C 3.16Å; S287-A289 PolarHBondContact O-N 3.27Å; S287-L290 PolarHBondContact O-N 3.05Å; S287-L290 VanDerWaalsContact O-N 3.14Å; S287-L290 WeakPolarHBondContact OG-CG 3.33Å; S287-L290 PolarHBondContact OG-N 2.62Å; S287-M291 PolarHBondContact O-N 3.05Å; S287-M291 VanDerWaalsContact O-N 3.16Å | ||
| 288 | T | 82.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -32.5 | 175.9 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | Y224 W225 Q227 T270 L290 M291 F292 | Y224-T288 WeakPolarHBondContact O-CA 3.47Å; Y224-T288 WeakPolarHBondContact O-CG2 3.43Å; Y224-T288 PolarHBondContact O-N 3.22Å; W225-T288 HydrophobicContact CD2-CG2 4.16Å; W225-T288 HydrophobicContact CE3-CG2 3.76Å; W225-T288 HydrophobicContact CZ3-CG2 4.26Å; Q227-T288 HydrophobicContact CB-CG2 4.15Å; Q227-T288 HydrophobicContact CG-CG2 4.19Å; Q227-T288 VanDerWaalsContact CG-OG1 3.32Å; Q227-T288 WeakPolarHBondContact CG-OG1 3.4Å; Q227-T288 PolarHBondContact NE2-OG1 2.83Å; Q227-T288 VanDerWaalsContact OE1-N 3.16Å; Q227-T288 PolarHBondContact OE1-OG1 3.18Å; T270-T288 PolarHBondContact OG1-OG1 2.87Å; T288-L290 VanDerWaalsContact C-N 3.32Å; T288-L290 PolarHBondContact O-N 3.43Å; T288-M291 PolarHBondContact O-N 3.3Å; T288-F292 HydrophobicContact CG2-CE2 4Å; T288-F292 HydrophobicContact CG2-CZ 4.37Å; T288-F292 WeakPolarHBondContact O-CB 3.28Å; T288-F292 VanDerWaalsContact O-CD2 3.27Å; T288-F292 WeakPolarHBondContact O-CD2 3.39Å; T288-F292 WeakPolarHBondContact O-CG 3.45Å; T288-F292 PolarHBondContact O-N 3.11Å |
| 289 | A | 83.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A273 H274 S287 Q293 | A273-A289 HydrophobicContact CB-CB 3.78Å; H274-A289 PolarHBondContact CE1-O 3.23Å; S287-A289 PolarHBondContact O-N 3.27Å; A289-Q293 PolarHBondContact O-N 3.01Å; A289-Q293 VanDerWaalsContact O-N 3.11Å |
| 290 | L | 83.3 | Confident | 85.7 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.7 | -32.8 | 176.7 | -66.6 | 175.5 | 0 | 0 | 0 | 113.1 | K277 D280 V281 V285 S287 T288 Q293 | K277-L290 HydrophobicContact CG-CD2 3.63Å; D280-L290 HydrophobicContact CB-CD1 4.18Å; V281-L290 HydrophobicContact CG2-CD1 4.29Å; V281-L290 HydrophobicContact CG2-CD2 3.43Å; V281-L290 VanDerWaalsContact CG2-CD2 3.43Å; V285-L290 WeakPolarHBondContact O-CD1 3.41Å; S287-L290 PolarHBondContact O-N 3.05Å; S287-L290 VanDerWaalsContact O-N 3.14Å; S287-L290 WeakPolarHBondContact OG-CG 3.33Å; S287-L290 PolarHBondContact OG-N 2.62Å; T288-L290 VanDerWaalsContact C-N 3.32Å; T288-L290 PolarHBondContact O-N 3.43Å; L290-Q293 WeakPolarHBondContact O-CG 3.29Å; L290-Q293 PolarHBondContact O-NE2 3.04Å |
| 291 | M | 88.1 | Confident | 86.5 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -77.7 | -40.5 | -180 | -173.8 | -177.2 | 70 | 0 | 0 | 112.4 | Y224 W225 S287 T288 | Y224-M291 HydrophobicContact CD1-CB 4.15Å; Y224-M291 HydrophobicContact CG-CB 4.38Å; W225-M291 HydrophobicContact CD2-CE 4.04Å; W225-M291 HydrophobicContact CH2-CE 4.03Å; W225-M291 HydrophobicContact CZ2-CE 3.24Å; W225-M291 HydrophobicContact CZ2-SD 4.38Å; W225-M291 PolarHBondContact NE1-SD 3.24Å; S287-M291 PolarHBondContact O-N 3.05Å; S287-M291 VanDerWaalsContact O-N 3.16Å; T288-M291 PolarHBondContact O-N 3.3Å |
| 292 | F | 88.6 | Confident | 87.3 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -84.7 | -29.6 | -177 | -61.5 | -35.7 | 0 | 0 | 0 | 113.8 | W225 T270 T288 E294 R295 W299 F303 | W225-F292 HydrophobicContact CH2-CE1 4.03Å; W225-F292 AromaticContact CH2-CZ 3.48Å; W225-F292 HydrophobicContact CH2-CZ 3.48Å; W225-F292 VanDerWaalsContact CH2-CZ 3.48Å; W225-F292 HydrophobicContact CZ2-CE1 4.15Å; W225-F292 AromaticContact CZ2-CZ 3.99Å; W225-F292 HydrophobicContact CZ2-CZ 3.99Å; W225-F292 AromaticContact CZ3-CZ 3.87Å; W225-F292 HydrophobicContact CZ3-CZ 3.87Å; T270-F292 HydrophobicContact CG2-CD2 4.13Å; T288-F292 HydrophobicContact CG2-CE2 4Å; T288-F292 HydrophobicContact CG2-CZ 4.37Å; T288-F292 WeakPolarHBondContact O-CB 3.28Å; T288-F292 VanDerWaalsContact O-CD2 3.27Å; T288-F292 WeakPolarHBondContact O-CD2 3.39Å; T288-F292 WeakPolarHBondContact O-CG 3.45Å; T288-F292 PolarHBondContact O-N 3.11Å; F292-E294 PolarHBondContact O-N 3.15Å; F292-R295 WeakPolarHBondContact O-CA 3.35Å; F292-R295 WeakPolarHBondContact O-CB 3.31Å; F292-R295 PolarHBondContact O-N 3.45Å; F292-W299 HydrophobicContact CD1-CB 4.38Å; F292-W299 AromaticContact CD1-CD1 3.27Å; F292-W299 AromaticContact CD1-CD2 3.88Å; F292-W299 HydrophobicContact CD1-CD2 3.88Å; F292-W299 AromaticContact CD1-CE2 3.72Å; F292-W299 AromaticContact CD1-CG 3.61Å; F292-W299 HydrophobicContact CD1-CG 3.61Å; F292-W299 AromaticContact CD1-NE1 3.33Å; F292-W299 VanDerWaalsContact CD1-NE1 3.33Å; F292-W299 HydrophobicContact CD2-CB 4Å; F292-W299 HydrophobicContact CD2-CG 4.11Å; F292-W299 HydrophobicContact CE1-CB 4.3Å; F292-W299 AromaticContact CE1-CD1 3.64Å; F292-W299 AromaticContact CE1-CD2 3.36Å; F292-W299 HydrophobicContact CE1-CD2 3.36Å; F292-W299 AromaticContact CE1-CE2 3.4Å; F292-W299 AromaticContact CE1-CE3 3.92Å; F292-W299 HydrophobicContact CE1-CE3 3.92Å; F292-W299 AromaticContact CE1-CG 3.54Å; F292-W299 HydrophobicContact CE1-CG 3.54Å; F292-W299 HydrophobicContact CE1-CH2 4.46Å; F292-W299 AromaticContact CE1-CZ2 3.98Å; F292-W299 HydrophobicContact CE1-CZ2 3.98Å; F292-W299 HydrophobicContact CE1-CZ3 4.43Å; F292-W299 AromaticContact CE1-NE1 3.56Å; F292-W299 HydrophobicContact CE2-CB 3.95Å; F292-W299 HydrophobicContact CE2-CD2 4.44Å; F292-W299 HydrophobicContact CE2-CG 4.08Å; F292-W299 HydrophobicContact CG-CB 4.22Å; F292-W299 AromaticContact CG-CD1 3.62Å; F292-W299 AromaticContact CG-CG 3.9Å; F292-W299 HydrophobicContact CG-CG 3.9Å; F292-W299 HydrophobicContact CZ-CB 4.1Å; F292-W299 AromaticContact CZ-CD2 3.71Å; F292-W299 HydrophobicContact CZ-CD2 3.71Å; F292-W299 AromaticContact CZ-CE3 3.94Å; F292-W299 HydrophobicContact CZ-CE3 3.94Å; F292-W299 AromaticContact CZ-CG 3.79Å; F292-W299 HydrophobicContact CZ-CG 3.79Å; F292-F303 AromaticContact CE2-CE2 3.85Å; F292-F303 HydrophobicContact CE2-CE2 3.85Å; F292-F303 HydrophobicContact CE2-CZ 4.18Å; F292-F303 HydrophobicContact CZ-CE2 4.08Å; F292-F303 AromaticContact CZ-CZ 3.93Å; F292-F303 HydrophobicContact CZ-CZ 3.93Å |
| 293 | Q | 87.3 | Confident | 88.1 | Confident | 116 Ų | 116 | 58.5 Ų | 58.5 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | 49.3 | -126.5 | 177.3 | -53.2 | -178 | -8.7 | 0 | 0 | 111.2 | A289 L290 R295 T296 | A289-Q293 PolarHBondContact O-N 3.01Å; A289-Q293 VanDerWaalsContact O-N 3.11Å; L290-Q293 WeakPolarHBondContact O-CG 3.29Å; L290-Q293 PolarHBondContact O-NE2 3.04Å; Q293-R295 PolarHBondContact O-N 3.21Å; Q293-T296 WeakPolarHBondContact O-CB 3.44Å; Q293-T296 PolarHBondContact O-N 3.33Å; Q293-T296 PolarHBondContact O-OG1 2.95Å |
| 294 | E | 87.4 | Confident | 89.2 | Confident | 134 Ų | 134 | 55.2 Ų | 55.2 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -64.4 | -22.7 | 178.8 | -58 | -52.9 | 139.6 | 0 | 0 | 113.7 | F292 T296 | F292-E294 PolarHBondContact O-N 3.15Å; E294-T296 PolarHBondContact O-N 3.5Å |
| 295 | R | 91.3 | Very high | 90.1 | Very high | 185 Ų | 185 | 55.3 Ų | 55.3 | 70% | 0.698 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -80.7 | 3.6 | 177.9 | -59.7 | -175.5 | 180 | -172.4 | 0.2 | 113 | F292 Q293 K297 L298 W299 | F292-R295 WeakPolarHBondContact O-CA 3.35Å; F292-R295 WeakPolarHBondContact O-CB 3.31Å; F292-R295 PolarHBondContact O-N 3.45Å; Q293-R295 PolarHBondContact O-N 3.21Å; R295-K297 VanDerWaalsContact C-N 3.33Å; R295-K297 PolarHBondContact O-N 3.38Å; R295-L298 WeakPolarHBondContact O-CB 3.15Å; R295-L298 PolarHBondContact O-N 2.85Å; R295-L298 VanDerWaalsContact O-N 3.11Å; R295-W299 PolarHBondContact O-N 3.3Å |
| 296 | T | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -50.7 | -50 | -178 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | T270 H274 Q293 E294 L298 W299 L300 I344 | T270-T296 HydrophobicContact CG2-CG2 4.05Å; H274-T296 PolarHBondContact CE1-OG1 3.47Å; H274-T296 VanDerWaalsContact NE2-CG2 3.34Å; H274-T296 WeakPolarHBondContact NE2-CG2 3.33Å; H274-T296 PolarHBondContact NE2-OG1 2.89Å; Q293-T296 WeakPolarHBondContact O-CB 3.44Å; Q293-T296 PolarHBondContact O-N 3.33Å; Q293-T296 PolarHBondContact O-OG1 2.95Å; E294-T296 PolarHBondContact O-N 3.5Å; T296-L298 VanDerWaalsContact C-N 3.26Å; T296-L298 PolarHBondContact O-N 2.9Å; T296-W299 PolarHBondContact O-N 3.46Å; T296-W299 VanDerWaalsContact O-N 3.11Å; T296-L300 HydrophobicContact CG2-CD1 3.69Å; T296-L300 HydrophobicContact CG2-CD2 4.46Å; T296-L300 HydrophobicContact CG2-CG 3.86Å; T296-L300 VanDerWaalsContact O-CG 3.28Å; T296-L300 WeakPolarHBondContact O-CG 3.32Å; T296-L300 PolarHBondContact O-N 3.42Å; T296-I344 HydrophobicContact CG2-CG2 4.18Å |
| 297 | K | 92.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 34% | 0.335 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.1 | -36.4 | -177.3 | -68.3 | -170.4 | 176.1 | -169.3 | 0 | 113.1 | R295 L300 S301 I339 Y340 V342 | R295-K297 VanDerWaalsContact C-N 3.33Å; R295-K297 PolarHBondContact O-N 3.38Å; K297-L300 PolarHBondContact O-N 3.38Å; K297-S301 PolarHBondContact O-N 3.02Å; K297-S301 PolarHBondContact O-OG 3.44Å; K297-S301 VanDerWaalsContact O-OG 3.05Å; K297-I339 HydrophobicContact CB-CG2 4.21Å; K297-I339 WeakPolarHBondContact CD-O 3.25Å; K297-I339 WeakPolarHBondContact CE-O 3.36Å; K297-I339 HydrophobicContact CG-CG2 4.44Å; K297-Y340 PolarHBondContact NZ-O 3.26Å; K297-V342 WeakPolarHBondContact CE-O 3.42Å; K297-V342 PolarHBondContact NZ-O 2.89Å |
| 298 | L | 94.4 | Very high | 92.2 | Very high | 127 Ų | 127 | 52.9 Ų | 52.9 | 67% | 0.665 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.8 | -46.3 | 177 | -179.5 | 63.9 | 0 | 0 | 0 | 111.4 | R295 T296 S301 G302 | R295-L298 WeakPolarHBondContact O-CB 3.15Å; R295-L298 PolarHBondContact O-N 2.85Å; R295-L298 VanDerWaalsContact O-N 3.11Å; T296-L298 VanDerWaalsContact C-N 3.26Å; T296-L298 PolarHBondContact O-N 2.9Å; L298-S301 PolarHBondContact O-N 3.06Å; L298-G302 PolarHBondContact O-N 3.19Å |
| 299 | W | 96.1 | Very high | 93 | Very high | 111 Ų | 111 | 55.9 Ų | 55.9 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176.4 | -77.1 | 100.5 | 0 | 0 | 0 | 112.2 | W225 F292 R295 T296 S301 G302 F303 | W225-W299 HydrophobicContact CH2-CZ3 4.4Å; F292-W299 HydrophobicContact CD1-CB 4.38Å; F292-W299 AromaticContact CD1-CD1 3.27Å; F292-W299 AromaticContact CD1-CD2 3.88Å; F292-W299 HydrophobicContact CD1-CD2 3.88Å; F292-W299 AromaticContact CD1-CE2 3.72Å; F292-W299 AromaticContact CD1-CG 3.61Å; F292-W299 HydrophobicContact CD1-CG 3.61Å; F292-W299 AromaticContact CD1-NE1 3.33Å; F292-W299 VanDerWaalsContact CD1-NE1 3.33Å; F292-W299 HydrophobicContact CD2-CB 4Å; F292-W299 HydrophobicContact CD2-CG 4.11Å; F292-W299 HydrophobicContact CE1-CB 4.3Å; F292-W299 AromaticContact CE1-CD1 3.64Å; F292-W299 AromaticContact CE1-CD2 3.36Å; F292-W299 HydrophobicContact CE1-CD2 3.36Å; F292-W299 AromaticContact CE1-CE2 3.4Å; F292-W299 AromaticContact CE1-CE3 3.92Å; F292-W299 HydrophobicContact CE1-CE3 3.92Å; F292-W299 AromaticContact CE1-CG 3.54Å; F292-W299 HydrophobicContact CE1-CG 3.54Å; F292-W299 HydrophobicContact CE1-CH2 4.46Å; F292-W299 AromaticContact CE1-CZ2 3.98Å; F292-W299 HydrophobicContact CE1-CZ2 3.98Å; F292-W299 HydrophobicContact CE1-CZ3 4.43Å; F292-W299 AromaticContact CE1-NE1 3.56Å; F292-W299 HydrophobicContact CE2-CB 3.95Å; F292-W299 HydrophobicContact CE2-CD2 4.44Å; F292-W299 HydrophobicContact CE2-CG 4.08Å; F292-W299 HydrophobicContact CG-CB 4.22Å; F292-W299 AromaticContact CG-CD1 3.62Å; F292-W299 AromaticContact CG-CG 3.9Å; F292-W299 HydrophobicContact CG-CG 3.9Å; F292-W299 HydrophobicContact CZ-CB 4.1Å; F292-W299 AromaticContact CZ-CD2 3.71Å; F292-W299 HydrophobicContact CZ-CD2 3.71Å; F292-W299 AromaticContact CZ-CE3 3.94Å; F292-W299 HydrophobicContact CZ-CE3 3.94Å; F292-W299 AromaticContact CZ-CG 3.79Å; F292-W299 HydrophobicContact CZ-CG 3.79Å; R295-W299 PolarHBondContact O-N 3.3Å; T296-W299 PolarHBondContact O-N 3.46Å; T296-W299 VanDerWaalsContact O-N 3.11Å; W299-S301 VanDerWaalsContact C-N 3.3Å; W299-S301 PolarHBondContact O-N 3.02Å; W299-G302 PolarHBondContact O-N 3.14Å; W299-G302 VanDerWaalsContact O-N 3.13Å; W299-F303 HydrophobicContact CB-CE2 4.1Å; W299-F303 HydrophobicContact CE3-CE1 4.11Å; W299-F303 HydrophobicContact CE3-CE2 4.45Å; W299-F303 AromaticContact CE3-CZ 3.74Å; W299-F303 HydrophobicContact CE3-CZ 3.74Å; W299-F303 HydrophobicContact CZ3-CZ 4.41Å; W299-F303 VanDerWaalsContact O-CD2 3.25Å; W299-F303 WeakPolarHBondContact O-CD2 3.35Å; W299-F303 WeakPolarHBondContact O-CG 3.48Å; W299-F303 PolarHBondContact O-N 3.31Å |
| 300 | L | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 175.6 | -64.7 | 179.9 | 0 | 0 | 0 | 111.8 | V267 T270 I271 T296 K297 F303 T304 I339 | V267-L300 HydrophobicContact CB-CD2 4.46Å; V267-L300 HydrophobicContact CG1-CD2 4.34Å; V267-L300 WeakPolarHBondContact O-CD2 3.39Å; T270-L300 HydrophobicContact CG2-CD2 4.15Å; I271-L300 HydrophobicContact CD1-CD1 4.08Å; I271-L300 HydrophobicContact CG1-CD1 3.68Å; I271-L300 HydrophobicContact CG1-CD2 4.34Å; T296-L300 HydrophobicContact CG2-CD1 3.69Å; T296-L300 HydrophobicContact CG2-CD2 4.46Å; T296-L300 HydrophobicContact CG2-CG 3.86Å; T296-L300 VanDerWaalsContact O-CG 3.28Å; T296-L300 WeakPolarHBondContact O-CG 3.32Å; T296-L300 PolarHBondContact O-N 3.42Å; K297-L300 PolarHBondContact O-N 3.38Å; L300-F303 PolarHBondContact O-N 3.22Å; L300-T304 WeakPolarHBondContact O-CB 3.32Å; L300-T304 PolarHBondContact O-N 3Å; L300-T304 PolarHBondContact O-OG1 3.15Å; L300-I339 HydrophobicContact CB-CD1 3.89Å; L300-I339 HydrophobicContact CB-CG1 4Å; L300-I339 HydrophobicContact CB-CG2 4.19Å; L300-I339 HydrophobicContact CD1-CG1 4.47Å |
| 301 | S | 96.2 | Very high | 94.1 | Very high | 61 Ų | 61 | 55 Ų | 55 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174.5 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | K297 L298 W299 T304 A305 | K297-S301 PolarHBondContact O-N 3.02Å; K297-S301 PolarHBondContact O-OG 3.44Å; K297-S301 VanDerWaalsContact O-OG 3.05Å; L298-S301 PolarHBondContact O-N 3.06Å; W299-S301 VanDerWaalsContact C-N 3.3Å; W299-S301 PolarHBondContact O-N 3.02Å; S301-T304 PolarHBondContact O-N 3.18Å; S301-A305 PolarHBondContact O-N 2.96Å |
| 302 | G | 97.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L298 W299 T304 A305 A306 | L298-G302 PolarHBondContact O-N 3.19Å; W299-G302 PolarHBondContact O-N 3.14Å; W299-G302 VanDerWaalsContact O-N 3.13Å; G302-T304 VanDerWaalsContact C-N 3.32Å; G302-T304 PolarHBondContact O-N 3.15Å; G302-A305 PolarHBondContact O-N 3.37Å; G302-A306 WeakPolarHBondContact O-CB 3.36Å; G302-A306 PolarHBondContact O-N 3.35Å |
| 303 | F | 97.1 | Very high | 94.9 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -37 | 175.6 | -60.8 | -38.5 | 0 | 0 | 0 | 112.2 | W225 M263 L266 V267 F292 W299 L300 A306 M307 | W225-F303 AromaticContact CH2-CZ 3.97Å; W225-F303 HydrophobicContact CH2-CZ 3.97Å; W225-F303 HydrophobicContact CZ3-CE1 4.43Å; W225-F303 AromaticContact CZ3-CZ 3.77Å; W225-F303 HydrophobicContact CZ3-CZ 3.77Å; M263-F303 HydrophobicContact SD-CD1 3.92Å; L266-F303 HydrophobicContact CB-CD1 4.48Å; L266-F303 HydrophobicContact CB-CD2 3.7Å; L266-F303 HydrophobicContact CB-CE2 3.97Å; L266-F303 HydrophobicContact CB-CG 4Å; L266-F303 HydrophobicContact CB-CZ 4.49Å; L266-F303 HydrophobicContact CD1-CD1 3.84Å; L266-F303 HydrophobicContact CD1-CD2 4.39Å; L266-F303 HydrophobicContact CD1-CE1 3.72Å; L266-F303 HydrophobicContact CD1-CE2 4.27Å; L266-F303 HydrophobicContact CD1-CG 4.2Å; L266-F303 HydrophobicContact CD1-CZ 3.95Å; V267-F303 HydrophobicContact CG2-CB 3.67Å; F292-F303 AromaticContact CE2-CE2 3.85Å; F292-F303 HydrophobicContact CE2-CE2 3.85Å; F292-F303 HydrophobicContact CE2-CZ 4.18Å; F292-F303 HydrophobicContact CZ-CE2 4.08Å; F292-F303 AromaticContact CZ-CZ 3.93Å; F292-F303 HydrophobicContact CZ-CZ 3.93Å; W299-F303 HydrophobicContact CB-CE2 4.1Å; W299-F303 HydrophobicContact CE3-CE1 4.11Å; W299-F303 HydrophobicContact CE3-CE2 4.45Å; W299-F303 AromaticContact CE3-CZ 3.74Å; W299-F303 HydrophobicContact CE3-CZ 3.74Å; W299-F303 HydrophobicContact CZ3-CZ 4.41Å; W299-F303 VanDerWaalsContact O-CD2 3.25Å; W299-F303 WeakPolarHBondContact O-CD2 3.35Å; W299-F303 WeakPolarHBondContact O-CG 3.48Å; W299-F303 PolarHBondContact O-N 3.31Å; L300-F303 PolarHBondContact O-N 3.22Å; F303-A306 PolarHBondContact O-N 2.76Å; F303-M307 VanDerWaalsContact O-CB 3.29Å; F303-M307 WeakPolarHBondContact O-CB 3.29Å; F303-M307 PolarHBondContact O-N 3.11Å |
| 304 | T | 95.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | L300 S301 G302 A306 M307 L308 L335 I339 | L300-T304 WeakPolarHBondContact O-CB 3.32Å; L300-T304 PolarHBondContact O-N 3Å; L300-T304 PolarHBondContact O-OG1 3.15Å; S301-T304 PolarHBondContact O-N 3.18Å; G302-T304 VanDerWaalsContact C-N 3.32Å; G302-T304 PolarHBondContact O-N 3.15Å; T304-A306 VanDerWaalsContact C-N 3.34Å; T304-A306 PolarHBondContact O-N 3.11Å; T304-M307 WeakPolarHBondContact O-CB 3.47Å; T304-M307 PolarHBondContact O-N 3.24Å; T304-L308 HydrophobicContact CG2-CD1 4.07Å; T304-L308 HydrophobicContact CG2-CG 4.43Å; T304-L308 VanDerWaalsContact O-CG 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.46Å; T304-L308 PolarHBondContact O-N 2.8Å; T304-L335 HydrophobicContact CG2-CB 3.81Å; T304-L335 HydrophobicContact CG2-CD1 3.86Å; T304-I339 WeakPolarHBondContact OG1-CD1 3.26Å |
| 305 | A | 97.9 | Very high | 95.6 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 50% | 0.496 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S301 G302 L308 S309 | S301-A305 PolarHBondContact O-N 2.96Å; G302-A305 PolarHBondContact O-N 3.37Å; A305-L308 PolarHBondContact O-N 3.09Å; A305-S309 PolarHBondContact O-N 3.4Å; A305-S309 PolarHBondContact O-OG 2.67Å |
| 306 | A | 97.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | F259 M263 G302 F303 T304 S309 G310 | F259-A306 HydrophobicContact CE1-CB 3.98Å; F259-A306 WeakPolarHBondContact CE1-O 3.46Å; F259-A306 HydrophobicContact CZ-CB 4.05Å; M263-A306 HydrophobicContact CG-CB 3.9Å; M263-A306 HydrophobicContact SD-CB 4.13Å; G302-A306 WeakPolarHBondContact O-CB 3.36Å; G302-A306 PolarHBondContact O-N 3.35Å; F303-A306 PolarHBondContact O-N 2.76Å; T304-A306 VanDerWaalsContact C-N 3.34Å; T304-A306 PolarHBondContact O-N 3.11Å; A306-S309 PolarHBondContact O-OG 2.99Å; A306-G310 PolarHBondContact O-N 2.85Å; A306-G310 VanDerWaalsContact O-N 3.13Å |
| 307 | M | 95.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 173.6 | -178.6 | -161.7 | 98.8 | 0 | 0 | 110.9 | S260 M263 W264 F303 T304 G310 L311 V331 L335 | S260-M307 WeakPolarHBondContact CB-O 3.22Å; S260-M307 WeakPolarHBondContact O-CG 3.22Å; S260-M307 PolarHBondContact OG-O 2.92Å; M263-M307 HydrophobicContact CB-CB 3.87Å; W264-M307 HydrophobicContact CB-CG 4.07Å; W264-M307 HydrophobicContact CB-SD 3.53Å; W264-M307 VanDerWaalsContact CB-SD 3.53Å; W264-M307 HydrophobicContact CG-SD 3.79Å; F303-M307 VanDerWaalsContact O-CB 3.29Å; F303-M307 WeakPolarHBondContact O-CB 3.29Å; F303-M307 PolarHBondContact O-N 3.11Å; T304-M307 WeakPolarHBondContact O-CB 3.47Å; T304-M307 PolarHBondContact O-N 3.24Å; M307-G310 PolarHBondContact O-N 2.6Å; M307-L311 HydrophobicContact CE-CD1 3.93Å; M307-L311 HydrophobicContact CG-CD1 4.29Å; M307-L311 WeakPolarHBondContact O-CG 3.08Å; M307-L311 PolarHBondContact O-N 3.22Å; M307-L311 VanDerWaalsContact O-N 3.09Å; M307-V331 HydrophobicContact CE-CG1 4.05Å; M307-L335 HydrophobicContact CE-CD1 3.31Å; M307-L335 HydrophobicContact SD-CD1 3.86Å |
| 308 | L | 96 | Very high | 95.7 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 18% | 0.183 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | -178.7 | -67.6 | 171.8 | 0 | 0 | 0 | 111.6 | T304 A305 L311 V312 L328 A332 | T304-L308 HydrophobicContact CG2-CD1 4.07Å; T304-L308 HydrophobicContact CG2-CG 4.43Å; T304-L308 VanDerWaalsContact O-CG 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.46Å; T304-L308 PolarHBondContact O-N 2.8Å; A305-L308 PolarHBondContact O-N 3.09Å; L308-L311 PolarHBondContact O-N 3.05Å; L308-V312 WeakPolarHBondContact O-CG2 3.46Å; L308-V312 PolarHBondContact O-N 3.36Å; L308-L328 HydrophobicContact CD2-CD1 3.55Å; L308-L328 HydrophobicContact CD2-CG 4.21Å; L308-A332 HydrophobicContact CD1-CB 3.53Å; L308-A332 HydrophobicContact CD2-CB 3.94Å; L308-A332 HydrophobicContact CG-CB 4.41Å |
| 309 | S | 97.9 | Very high | 95.6 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.7 | 66 | 0 | 0 | 0 | 0 | 112 | A305 A306 L311 V312 V313 | A305-S309 PolarHBondContact O-N 3.4Å; A305-S309 PolarHBondContact O-OG 2.67Å; A306-S309 PolarHBondContact O-OG 2.99Å; S309-L311 VanDerWaalsContact C-N 3.33Å; S309-L311 PolarHBondContact O-N 3.07Å; S309-V312 PolarHBondContact O-N 2.88Å; S309-V313 WeakPolarHBondContact O-CG2 3.3Å; S309-V313 PolarHBondContact O-N 3.49Å |
| 310 | G | 96.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P256 S260 A306 M307 V313 A314 | P256-G310 WeakPolarHBondContact CB-O 3.47Å; S260-G310 WeakPolarHBondContact OG-CA 3.06Å; A306-G310 PolarHBondContact O-N 2.85Å; A306-G310 VanDerWaalsContact O-N 3.13Å; M307-G310 PolarHBondContact O-N 2.6Å; G310-V313 PolarHBondContact O-N 2.55Å; G310-A314 WeakPolarHBondContact O-CB 3.41Å; G310-A314 PolarHBondContact O-N 3.42Å |
| 311 | L | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69 | -36.3 | 175.2 | -71.9 | 171.4 | 0 | 0 | 0 | 112.4 | L257 S260 M307 L308 S309 G315 Y324 L328 F365 | L257-L311 HydrophobicContact CD1-CD2 3.89Å; S260-L311 PolarHBondContact OG-N 2.82Å; M307-L311 HydrophobicContact CE-CD1 3.93Å; M307-L311 HydrophobicContact CG-CD1 4.29Å; M307-L311 WeakPolarHBondContact O-CG 3.08Å; M307-L311 PolarHBondContact O-N 3.22Å; M307-L311 VanDerWaalsContact O-N 3.09Å; L308-L311 PolarHBondContact O-N 3.05Å; S309-L311 VanDerWaalsContact C-N 3.33Å; S309-L311 PolarHBondContact O-N 3.07Å; L311-G315 PolarHBondContact O-N 3.47Å; L311-Y324 PolarHBondContact O-OH 3.12Å; L311-L328 HydrophobicContact CB-CD1 3.79Å; L311-L328 HydrophobicContact CB-CD2 4.25Å; L311-L328 HydrophobicContact CD1-CD1 3.6Å; L311-L328 HydrophobicContact CG-CD1 4.35Å; L311-F365 HydrophobicContact CD1-CZ 3.95Å |
| 312 | V | 96.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 42 Ų | 42 | 38% | 0.376 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 172.1 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | L308 S309 A314 G315 V316 L328 | L308-V312 WeakPolarHBondContact O-CG2 3.46Å; L308-V312 PolarHBondContact O-N 3.36Å; S309-V312 PolarHBondContact O-N 2.88Å; V312-A314 PolarHBondContact O-N 3.18Å; V312-G315 PolarHBondContact O-N 3.35Å; V312-V316 HydrophobicContact CG1-CG2 4.26Å; V312-V316 WeakPolarHBondContact O-CG2 3.32Å; V312-V316 PolarHBondContact O-N 3.22Å; V312-L328 HydrophobicContact CG2-CD2 3.56Å |
| 313 | V | 97.6 | Very high | 94.1 | Very high | 67 Ų | 67 | 43 Ų | 43 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | P256 S309 G310 G315 V316 N317 | P256-V313 HydrophobicContact CB-CB 4.15Å; P256-V313 HydrophobicContact CB-CG1 4Å; P256-V313 HydrophobicContact CG-CB 4.42Å; P256-V313 HydrophobicContact CG-CG1 3.73Å; S309-V313 WeakPolarHBondContact O-CG2 3.3Å; S309-V313 PolarHBondContact O-N 3.49Å; G310-V313 PolarHBondContact O-N 2.55Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 2.98Å; V313-V316 PolarHBondContact O-N 3.34Å; V313-N317 WeakPolarHBondContact O-CB 3.35Å; V313-N317 VanDerWaalsContact O-CG 3.31Å; V313-N317 PolarHBondContact O-N 2.88Å |
| 314 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V253 P256 L257 G310 V312 A318 | V253-A314 HydrophobicContact CG1-CB 4.44Å; P256-A314 HydrophobicContact CB-CB 4.21Å; L257-A314 HydrophobicContact CB-CB 4.21Å; G310-A314 WeakPolarHBondContact O-CB 3.41Å; G310-A314 PolarHBondContact O-N 3.42Å; V312-A314 PolarHBondContact O-N 3.18Å; A314-A318 WeakPolarHBondContact O-CB 3.24Å; A314-A318 PolarHBondContact O-N 3.01Å |
| 315 | G | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L311 V312 V313 A318 E319 Q320 | L311-G315 PolarHBondContact O-N 3.47Å; V312-G315 PolarHBondContact O-N 3.35Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 2.98Å; G315-A318 CarbonylContact O-C 3.21Å; G315-A318 PolarHBondContact O-N 3.25Å; G315-E319 PolarHBondContact O-N 3.4Å; G315-Q320 WeakPolarHBondContact O-CB 3.49Å; G315-Q320 WeakPolarHBondContact O-CG 3.21Å; G315-Q320 PolarHBondContact O-N 3.48Å |
| 316 | V | 94.5 | Very high | 93 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | V312 V313 A318 E319 Y325 | V312-V316 HydrophobicContact CG1-CG2 4.26Å; V312-V316 WeakPolarHBondContact O-CG2 3.32Å; V312-V316 PolarHBondContact O-N 3.22Å; V313-V316 PolarHBondContact O-N 3.34Å; V316-A318 PolarHBondContact O-N 2.99Å; V316-E319 PolarHBondContact O-N 3.29Å; V316-Y325 VanDerWaalsContact CG2-OH 3.28Å; V316-Y325 WeakPolarHBondContact CG2-OH 3.41Å; V316-Y325 PolarHBondContact N-OH 3.41Å |
| 317 | N | 94.6 | Very high | 92.5 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.8 | -25.9 | 178.1 | -66.8 | -11.9 | 0 | 0 | 0 | 111.9 | S252 V253 V313 E319 | S252-N317 PolarHBondContact O-ND2 3.15Å; V253-N317 HydrophobicContact CG2-CB 3.82Å; V313-N317 WeakPolarHBondContact O-CB 3.35Å; V313-N317 VanDerWaalsContact O-CG 3.31Å; V313-N317 PolarHBondContact O-N 2.88Å; N317-E319 VanDerWaalsContact C-N 3.33Å |
| 318 | A | 91 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 20.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L120 V253 A314 G315 V316 Q320 R374 | L120-A318 HydrophobicContact CD2-CB 4.07Å; V253-A318 HydrophobicContact CG1-CB 4.01Å; V253-A318 HydrophobicContact CG2-CB 4.09Å; A314-A318 WeakPolarHBondContact O-CB 3.24Å; A314-A318 PolarHBondContact O-N 3.01Å; G315-A318 CarbonylContact O-C 3.21Å; G315-A318 PolarHBondContact O-N 3.25Å; V316-A318 PolarHBondContact O-N 2.99Å; A318-Q320 HydrophobicContact CB-CG 4.18Å; A318-Q320 PolarHBondContact O-N 2.67Å; A318-Q320 PolarHBondContact O-NE2 3.15Å; A318-R374 VanDerWaalsContact CB-NH2 3.3Å; A318-R374 PolarHBondContact O-NE 2.8Å; A318-R374 PolarHBondContact O-NH1 2.97Å; A318-R374 PolarHBondContact O-NH2 3.23Å; A318-R374 VanDerWaalsContact O-NH2 3.13Å |
| 319 | E | 90.9 | Very high | 92.1 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 35.2 | 172.6 | -59.3 | 173.8 | 165.3 | 0 | 0 | 115 | G315 V316 N317 R374 | G315-E319 PolarHBondContact O-N 3.4Å; V316-E319 PolarHBondContact O-N 3.29Å; N317-E319 VanDerWaalsContact C-N 3.33Å; E319-R374 HydrophobicContact CB-CG 4.49Å; E319-R374 WeakPolarHBondContact O-CG 3.2Å; E319-R374 IonicContact OE2-NH1 3.47Å; E319-R374 PolarHBondContact OE2-NH1 3.11Å |
| 320 | Q | 88.4 | Confident | 91.8 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | trans | -70.8 | 152.8 | -174.7 | -65.4 | -61 | -57.3 | 0 | 0 | 111.9 | L120 G315 A318 Y324 Y325 | L120-Q320 HydrophobicContact CD2-CG 3.78Å; G315-Q320 WeakPolarHBondContact O-CB 3.49Å; G315-Q320 WeakPolarHBondContact O-CG 3.21Å; G315-Q320 PolarHBondContact O-N 3.48Å; A318-Q320 HydrophobicContact CB-CG 4.18Å; A318-Q320 PolarHBondContact O-N 2.67Å; A318-Q320 PolarHBondContact O-NE2 3.15Å; Q320-Y324 HydrophobicContact CB-CD1 3.86Å; Q320-Y324 HydrophobicContact CB-CD2 4.42Å; Q320-Y324 HydrophobicContact CB-CG 3.77Å; Q320-Y324 HydrophobicContact CG-CD1 4.28Å; Q320-Y324 HydrophobicContact CG-CD2 4.18Å; Q320-Y324 HydrophobicContact CG-CG 4.03Å; Q320-Y325 WeakPolarHBondContact O-CE2 3.2Å | ||
| 321 | T | 88.6 | Confident | 91.5 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | trans | -98.1 | -178.6 | 179.3 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | P323 Y324 Y325 C373 | T321-P323 VanDerWaalsContact OG1-CD 3.28Å; T321-P323 WeakPolarHBondContact OG1-CD 3.14Å; T321-Y324 WeakPolarHBondContact O-CB 3.19Å; T321-Y324 PolarHBondContact O-N 3.09Å; T321-Y324 VanDerWaalsContact O-N 3.11Å; T321-Y325 WeakPolarHBondContact O-CD2 2.92Å; T321-C373 WeakPolarHBondContact CB-O 3.3Å; T321-C373 HydrophobicContact CG2-CB 4.47Å; T321-C373 WeakPolarHBondContact CG2-O 3.29Å; T321-C373 PolarHBondContact N-O 2.98Å; T321-C373 WeakPolarHBondContact OG1-CB 3.43Å; T321-C373 PolarHBondContact OG1-O 3.34Å | ||
| 322 | L | 88.5 | Confident | 91.4 | Very high | 142 Ų | 142 | 45.9 Ų | 45.9 | 74% | 0.743 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -48.6 | -41.1 | -175.6 | -164.2 | 79.1 | 0 | 0 | 0 | 115.7 | Y324 Y325 A326 | L322-Y324 VanDerWaalsContact C-N 3.27Å; L322-Y324 PolarHBondContact O-N 3.42Å; L322-Y325 PolarHBondContact O-N 3.01Å; L322-Y325 VanDerWaalsContact O-N 3.15Å; L322-A326 WeakPolarHBondContact O-CB 3.28Å; L322-A326 PolarHBondContact O-N 3.23Å |
| 323 | P | 87.1 | Confident | 91.3 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.9 | -37.7 | 179.3 | -25.5 | 36.6 | 0 | 0 | 0 | 113.4 | T321 A326 A327 | T321-P323 VanDerWaalsContact OG1-CD 3.28Å; T321-P323 WeakPolarHBondContact OG1-CD 3.14Å; P323-A326 PolarHBondContact O-N 2.93Å; P323-A327 PolarHBondContact O-N 2.97Å |
| 324 | Y | 87.5 | Confident | 91 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 175.4 | 174.5 | -95.7 | 0 | 0 | 0 | 111.1 | L120 L311 Q320 T321 L322 A326 A327 L328 T370 | L120-Y324 HydrophobicContact CD2-CE2 4.43Å; L311-Y324 PolarHBondContact O-OH 3.12Å; Q320-Y324 HydrophobicContact CB-CD1 3.86Å; Q320-Y324 HydrophobicContact CB-CD2 4.42Å; Q320-Y324 HydrophobicContact CB-CG 3.77Å; Q320-Y324 HydrophobicContact CG-CD1 4.28Å; Q320-Y324 HydrophobicContact CG-CD2 4.18Å; Q320-Y324 HydrophobicContact CG-CG 4.03Å; T321-Y324 WeakPolarHBondContact O-CB 3.19Å; T321-Y324 PolarHBondContact O-N 3.09Å; T321-Y324 VanDerWaalsContact O-N 3.11Å; L322-Y324 VanDerWaalsContact C-N 3.27Å; L322-Y324 PolarHBondContact O-N 3.42Å; Y324-A326 PolarHBondContact O-N 3.06Å; Y324-A327 PolarHBondContact O-N 3.3Å; Y324-L328 HydrophobicContact CE1-CD2 4.39Å; Y324-L328 WeakPolarHBondContact O-CB 3.3Å; Y324-L328 PolarHBondContact O-N 2.98Å; Y324-T370 HydrophobicContact CD2-CG2 4.09Å; Y324-T370 HydrophobicContact CE2-CG2 4.4Å |
| 325 | Y | 90.3 | Very high | 90.9 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.5 | -30.3 | -179.6 | -61.9 | -70.7 | 0 | 0 | 0 | 113.1 | V316 Q320 T321 L322 L328 S329 | V316-Y325 VanDerWaalsContact CG2-OH 3.28Å; V316-Y325 WeakPolarHBondContact CG2-OH 3.41Å; V316-Y325 PolarHBondContact N-OH 3.41Å; Q320-Y325 WeakPolarHBondContact O-CE2 3.2Å; T321-Y325 WeakPolarHBondContact O-CD2 2.92Å; L322-Y325 PolarHBondContact O-N 3.01Å; L322-Y325 VanDerWaalsContact O-N 3.15Å; Y325-L328 HydrophobicContact CD1-CD2 4.42Å; Y325-L328 PolarHBondContact O-N 3.45Å; Y325-S329 WeakPolarHBondContact O-CB 3.44Å; Y325-S329 PolarHBondContact O-N 3.32Å; Y325-S329 PolarHBondContact O-OG 2.89Å |
| 326 | A | 90.4 | Very high | 90.9 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L322 P323 Y324 L328 S329 A330 | L322-A326 WeakPolarHBondContact O-CB 3.28Å; L322-A326 PolarHBondContact O-N 3.23Å; P323-A326 PolarHBondContact O-N 2.93Å; Y324-A326 PolarHBondContact O-N 3.06Å; A326-L328 VanDerWaalsContact C-N 3.35Å; A326-S329 PolarHBondContact O-N 2.93Å; A326-A330 PolarHBondContact O-N 3.37Å |
| 327 | A | 88.8 | Confident | 90.9 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P323 Y324 S329 A330 V331 | P323-A327 PolarHBondContact O-N 2.97Å; Y324-A327 PolarHBondContact O-N 3.3Å; A327-S329 VanDerWaalsContact C-N 3.32Å; A327-S329 PolarHBondContact O-N 2.8Å; A327-A330 WeakPolarHBondContact O-CB 3.37Å; A327-A330 PolarHBondContact O-N 3.47Å; A327-V331 VanDerWaalsContact O-CG2 3.3Å; A327-V331 WeakPolarHBondContact O-CG2 3.38Å; A327-V331 PolarHBondContact O-N 3.36Å |
| 328 | L | 91.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 175.5 | -174.7 | 61.4 | 0 | 0 | 0 | 112.5 | L308 L311 V312 Y324 Y325 A326 V331 A332 F365 | L308-L328 HydrophobicContact CD2-CD1 3.55Å; L308-L328 HydrophobicContact CD2-CG 4.21Å; L311-L328 HydrophobicContact CB-CD1 3.79Å; L311-L328 HydrophobicContact CB-CD2 4.25Å; L311-L328 HydrophobicContact CD1-CD1 3.6Å; L311-L328 HydrophobicContact CG-CD1 4.35Å; V312-L328 HydrophobicContact CG2-CD2 3.56Å; Y324-L328 HydrophobicContact CE1-CD2 4.39Å; Y324-L328 WeakPolarHBondContact O-CB 3.3Å; Y324-L328 PolarHBondContact O-N 2.98Å; Y325-L328 HydrophobicContact CD1-CD2 4.42Å; Y325-L328 PolarHBondContact O-N 3.45Å; A326-L328 VanDerWaalsContact C-N 3.35Å; L328-V331 PolarHBondContact O-N 3.48Å; L328-A332 WeakPolarHBondContact O-CB 3.44Å; L328-A332 PolarHBondContact O-N 3.13Å; L328-F365 HydrophobicContact CD1-CZ 4.49Å |
| 329 | S | 91.8 | Very high | 90.8 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | Y325 A326 A327 V331 A332 V333 | Y325-S329 WeakPolarHBondContact O-CB 3.44Å; Y325-S329 PolarHBondContact O-N 3.32Å; Y325-S329 PolarHBondContact O-OG 2.89Å; A326-S329 PolarHBondContact O-N 2.93Å; A327-S329 VanDerWaalsContact C-N 3.32Å; A327-S329 PolarHBondContact O-N 2.8Å; S329-V331 VanDerWaalsContact C-N 3.31Å; S329-V331 PolarHBondContact O-N 3.3Å; S329-A332 WeakPolarHBondContact O-CB 3.42Å; S329-A332 PolarHBondContact O-N 3.05Å; S329-V333 WeakPolarHBondContact O-CG2 3.49Å; S329-V333 PolarHBondContact O-N 2.89Å |
| 330 | A | 91.3 | Very high | 90.9 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A326 A327 V333 H334 F364 | A326-A330 PolarHBondContact O-N 3.37Å; A327-A330 WeakPolarHBondContact O-CB 3.37Å; A327-A330 PolarHBondContact O-N 3.47Å; A330-V333 PolarHBondContact O-N 3.46Å; A330-H334 WeakPolarHBondContact O-CB 3.38Å; A330-H334 PolarHBondContact O-N 3.19Å; A330-F364 HydrophobicContact CB-CD1 4.11Å; A330-F364 HydrophobicContact CB-CE1 3.84Å; A330-F364 HydrophobicContact CB-CZ 4.28Å |
| 331 | V | 90.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | M307 A327 L328 S329 V333 H334 L335 F364 F365 | M307-V331 HydrophobicContact CE-CG1 4.05Å; A327-V331 VanDerWaalsContact O-CG2 3.3Å; A327-V331 WeakPolarHBondContact O-CG2 3.38Å; A327-V331 PolarHBondContact O-N 3.36Å; L328-V331 PolarHBondContact O-N 3.48Å; S329-V331 VanDerWaalsContact C-N 3.31Å; S329-V331 PolarHBondContact O-N 3.3Å; V331-V333 PolarHBondContact O-N 2.91Å; V331-H334 PolarHBondContact O-N 3.34Å; V331-L335 HydrophobicContact CG1-CD1 3.93Å; V331-L335 HydrophobicContact CG1-CG 4.28Å; V331-L335 WeakPolarHBondContact O-CG 3.48Å; V331-L335 PolarHBondContact O-N 3.21Å; V331-F364 HydrophobicContact CG2-CB 4.09Å; V331-F365 HydrophobicContact CB-CE2 4.12Å; V331-F365 HydrophobicContact CG1-CE2 4.04Å; V331-F365 HydrophobicContact CG2-CD2 3.88Å; V331-F365 HydrophobicContact CG2-CE2 3.4Å; V331-F365 HydrophobicContact CG2-CZ 4.4Å |
| 332 | A | 92.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L308 L328 S329 H334 L335 A336 | L308-A332 HydrophobicContact CD1-CB 3.53Å; L308-A332 HydrophobicContact CD2-CB 3.94Å; L308-A332 HydrophobicContact CG-CB 4.41Å; L328-A332 WeakPolarHBondContact O-CB 3.44Å; L328-A332 PolarHBondContact O-N 3.13Å; S329-A332 WeakPolarHBondContact O-CB 3.42Å; S329-A332 PolarHBondContact O-N 3.05Å; A332-H334 VanDerWaalsContact C-N 3.33Å; A332-H334 PolarHBondContact O-N 2.91Å; A332-L335 PolarHBondContact O-N 2.85Å; A332-A336 WeakPolarHBondContact O-CB 3.17Å; A332-A336 PolarHBondContact O-N 3.24Å |
| 333 | V | 93.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 46.1 Ų | 46.1 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 111 | S329 A330 V331 R337 | S329-V333 WeakPolarHBondContact O-CG2 3.49Å; S329-V333 PolarHBondContact O-N 2.89Å; A330-V333 PolarHBondContact O-N 3.46Å; V331-V333 PolarHBondContact O-N 2.91Å; V333-R337 WeakPolarHBondContact O-CB 3.38Å; V333-R337 PolarHBondContact O-N 3.49Å |
| 334 | H | 91.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 178.3 | -178.8 | 92.1 | 0 | 0 | 0 | 112.3 | A330 V331 A332 R337 Q338 G357 F360 | A330-H334 WeakPolarHBondContact O-CB 3.38Å; A330-H334 PolarHBondContact O-N 3.19Å; V331-H334 PolarHBondContact O-N 3.34Å; A332-H334 VanDerWaalsContact C-N 3.33Å; A332-H334 PolarHBondContact O-N 2.91Å; H334-R337 PolarHBondContact O-N 3.04Å; H334-Q338 WeakPolarHBondContact O-CB 3.27Å; H334-Q338 PolarHBondContact O-N 2.89Å; H334-G357 WeakPolarHBondContact NE2-CA 3.27Å; H334-F360 HydrophobicContact CB-CD1 3.69Å; H334-F360 HydrophobicContact CB-CE1 3.34Å; H334-F360 HydrophobicContact CB-CE2 4.39Å; H334-F360 HydrophobicContact CB-CG 4.36Å; H334-F360 HydrophobicContact CB-CZ 3.72Å; H334-F360 AromaticContact CD2-CD1 3.83Å; H334-F360 WeakPolarHBondContact CE1-CB 3.14Å; H334-F360 AromaticContact CE1-CD1 3.93Å; H334-F360 AromaticContact CE1-CD2 3.64Å; H334-F360 AromaticContact CE1-CG 3.38Å; H334-F360 WeakPolarHBondContact CE1-CG 3.06Å; H334-F360 AromaticContact CG-CD1 3.36Å; H334-F360 AromaticContact CG-CE1 3.56Å; H334-F360 AromaticContact CG-CG 3.64Å; H334-F360 AromaticContact CG-CZ 3.96Å; H334-F360 AromaticContact ND1-CD1 3.45Å; H334-F360 WeakPolarHBondContact ND1-CD1 3.37Å; H334-F360 AromaticContact ND1-CD2 3.26Å; H334-F360 VanDerWaalsContact ND1-CD2 3.26Å; H334-F360 WeakPolarHBondContact ND1-CD2 3.31Å; H334-F360 AromaticContact ND1-CE1 3.74Å; H334-F360 AromaticContact ND1-CE2 3.54Å; H334-F360 AromaticContact ND1-CG 3.2Å; H334-F360 WeakPolarHBondContact ND1-CG 3.48Å; H334-F360 AromaticContact ND1-CZ 3.77Å; H334-F360 AromaticContact NE2-CG 3.92Å |
| 335 | L | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 179.8 | -70.8 | 177.4 | 0 | 0 | 0 | 111.8 | T304 M307 V331 A332 R337 Q338 I339 I361 | T304-L335 HydrophobicContact CG2-CB 3.81Å; T304-L335 HydrophobicContact CG2-CD1 3.86Å; M307-L335 HydrophobicContact CE-CD1 3.31Å; M307-L335 HydrophobicContact SD-CD1 3.86Å; V331-L335 HydrophobicContact CG1-CD1 3.93Å; V331-L335 HydrophobicContact CG1-CG 4.28Å; V331-L335 WeakPolarHBondContact O-CG 3.48Å; V331-L335 PolarHBondContact O-N 3.21Å; A332-L335 PolarHBondContact O-N 2.85Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 3.23Å; L335-Q338 VanDerWaalsContact CD2-OE1 3.3Å; L335-Q338 WeakPolarHBondContact O-CB 3.38Å; L335-Q338 PolarHBondContact O-N 3.38Å; L335-I339 WeakPolarHBondContact O-CG1 3.41Å; L335-I339 PolarHBondContact O-N 3.15Å; L335-I361 HydrophobicContact CD2-CD1 4.26Å |
| 336 | A | 93.6 | Very high | 91.1 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | A332 I339 Y340 | A332-A336 WeakPolarHBondContact O-CB 3.17Å; A332-A336 PolarHBondContact O-N 3.24Å; A336-I339 PolarHBondContact O-N 3.34Å; A336-Y340 VanDerWaalsContact O-CB 3.29Å; A336-Y340 WeakPolarHBondContact O-CB 3.39Å; A336-Y340 PolarHBondContact O-N 2.89Å |
| 337 | R | 93.7 | Very high | 90.7 | Very high | 133 Ų | 133 | 50.7 Ų | 50.7 | 50% | 0.502 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.2 | -168.4 | -173 | 70 | 83.4 | 7.4 | 111.7 | V333 H334 L335 Y340 T341 | V333-R337 WeakPolarHBondContact O-CB 3.38Å; V333-R337 PolarHBondContact O-N 3.49Å; H334-R337 PolarHBondContact O-N 3.04Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 3.23Å; R337-Y340 PolarHBondContact O-N 3.08Å; R337-T341 HydrophobicContact CG-CG2 4.24Å; R337-T341 WeakPolarHBondContact O-CB 3.41Å; R337-T341 VanDerWaalsContact O-CG2 3.31Å; R337-T341 WeakPolarHBondContact O-CG2 3.45Å; R337-T341 PolarHBondContact O-N 3.36Å; R337-T341 PolarHBondContact O-OG1 3.48Å |
| 338 | Q | 92.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.023 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 178.3 | -170.1 | -171.4 | 29.4 | 0 | 0 | 110.9 | H334 L335 Y340 T341 V342 Q353 | H334-Q338 WeakPolarHBondContact O-CB 3.27Å; H334-Q338 PolarHBondContact O-N 2.89Å; L335-Q338 VanDerWaalsContact CD2-OE1 3.3Å; L335-Q338 WeakPolarHBondContact O-CB 3.38Å; L335-Q338 PolarHBondContact O-N 3.38Å; Q338-Y340 VanDerWaalsContact C-N 3.35Å; Q338-Y340 PolarHBondContact O-N 2.63Å; Q338-T341 PolarHBondContact O-N 2.88Å; Q338-T341 PolarHBondContact O-OG1 3.28Å; Q338-V342 WeakPolarHBondContact O-CB 3.47Å; Q338-V342 WeakPolarHBondContact O-CG1 3.29Å; Q338-V342 PolarHBondContact O-N 3.17Å; Q338-Q353 HydrophobicContact CG-CB 4.19Å; Q338-Q353 PolarHBondContact NE2-O 2.91Å |
| 339 | I | 92.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 179.5 | -66.4 | 166.2 | 0 | 0 | 0 | 111.4 | K297 L300 T304 L335 A336 V342 | K297-I339 HydrophobicContact CB-CG2 4.21Å; K297-I339 WeakPolarHBondContact CD-O 3.25Å; K297-I339 WeakPolarHBondContact CE-O 3.36Å; K297-I339 HydrophobicContact CG-CG2 4.44Å; L300-I339 HydrophobicContact CB-CD1 3.89Å; L300-I339 HydrophobicContact CB-CG1 4Å; L300-I339 HydrophobicContact CB-CG2 4.19Å; L300-I339 HydrophobicContact CD1-CG1 4.47Å; T304-I339 WeakPolarHBondContact OG1-CD1 3.26Å; L335-I339 WeakPolarHBondContact O-CG1 3.41Å; L335-I339 PolarHBondContact O-N 3.15Å; A336-I339 PolarHBondContact O-N 3.34Å; I339-V342 WeakPolarHBondContact O-CG1 3.44Å |
| 340 | Y | 92.4 | Very high | 89.8 | Confident | 193 Ų | 193 | 56.1 Ų | 56.1 | 76% | 0.757 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.7 | -49.2 | 176.2 | -178.5 | -102.4 | 0 | 0 | 0 | 111.3 | K297 A336 R337 Q338 | K297-Y340 PolarHBondContact NZ-O 3.26Å; A336-Y340 VanDerWaalsContact O-CB 3.29Å; A336-Y340 WeakPolarHBondContact O-CB 3.39Å; A336-Y340 PolarHBondContact O-N 2.89Å; R337-Y340 PolarHBondContact O-N 3.08Å; Q338-Y340 VanDerWaalsContact C-N 3.35Å; Q338-Y340 PolarHBondContact O-N 2.63Å |
| 341 | T | 92.1 | Very high | 89.3 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -81.4 | -24.2 | -171.8 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | R337 Q338 D343 Q353 | R337-T341 HydrophobicContact CG-CG2 4.24Å; R337-T341 WeakPolarHBondContact O-CB 3.41Å; R337-T341 VanDerWaalsContact O-CG2 3.31Å; R337-T341 WeakPolarHBondContact O-CG2 3.45Å; R337-T341 PolarHBondContact O-N 3.36Å; R337-T341 PolarHBondContact O-OG1 3.48Å; Q338-T341 PolarHBondContact O-N 2.88Å; Q338-T341 PolarHBondContact O-OG1 3.28Å; T341-D343 PolarHBondContact O-N 3.04Å; T341-Q353 PolarHBondContact OG1-NE2 2.88Å |
| 342 | V | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -63.1 | 130.1 | -176.5 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | I271 K297 Q338 I339 I344 Q353 | I271-V342 HydrophobicContact CG2-CG2 4.11Å; K297-V342 WeakPolarHBondContact CE-O 3.42Å; K297-V342 PolarHBondContact NZ-O 2.89Å; Q338-V342 WeakPolarHBondContact O-CB 3.47Å; Q338-V342 WeakPolarHBondContact O-CG1 3.29Å; Q338-V342 PolarHBondContact O-N 3.17Å; I339-V342 WeakPolarHBondContact O-CG1 3.44Å; V342-I344 HydrophobicContact CG1-CG2 4.48Å; V342-Q353 HydrophobicContact CB-CG 4.14Å; V342-Q353 HydrophobicContact CG2-CB 4.39Å; V342-Q353 HydrophobicContact CG2-CG 4.08Å | ||
| 343 | D | 89.6 | Confident | 88.4 | Confident | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | trans | -96.6 | 101.5 | 168.7 | -171.3 | -12.5 | 0 | 0 | 0 | 109.4 | T341 N345 K346 D349 C350 | T341-D343 PolarHBondContact O-N 3.04Å; D343-N345 PolarHBondContact O-N 2.86Å; D343-N345 VanDerWaalsContact O-N 3.12Å; D343-N345 PolarHBondContact OD1-N 3.26Å; D343-N345 VanDerWaalsContact OD1-N 3.14Å; D343-K346 HydrophobicContact CB-CB 4.34Å; D343-K346 HydrophobicContact CB-CD 4.45Å; D343-K346 HydrophobicContact CB-CG 4.46Å; D343-K346 PolarHBondContact O-N 2.75Å; D343-K346 VanDerWaalsContact O-N 3.09Å; D343-K346 WeakPolarHBondContact OD2-CD 3.44Å; D343-K346 WeakPolarHBondContact OD2-CE 3.33Å; D343-K346 IonicContact OD2-NZ 3.99Å; D343-K346 PolarHBondContact OD2-NZ 3.47Å; D343-D349 PolarHBondContact N-OD2 2.87Å; D343-C350 PolarHBondContact O-SG 3.14Å | ||
| 344 | I | 88.7 | Confident | 87.7 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -14.3 | -177.1 | 62.4 | 173.7 | 0 | 0 | 0 | 113.3 | T296 V342 | T296-I344 HydrophobicContact CG2-CG2 4.18Å; V342-I344 HydrophobicContact CG1-CG2 4.48Å |
| 345 | N | 86.1 | Confident | 86.9 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 55% | 0.551 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5.3 | 179.1 | -63.2 | -48.8 | 0 | 0 | 0 | 112.5 | D343 | D343-N345 PolarHBondContact O-N 2.86Å; D343-N345 VanDerWaalsContact O-N 3.12Å; D343-N345 PolarHBondContact OD1-N 3.26Å; D343-N345 VanDerWaalsContact OD1-N 3.14Å |
| 346 | K | 87.3 | Confident | 86 | Confident | 127 Ų | 127 | 65 Ų | 65 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | trans | -114.3 | 108 | 178.1 | -68.4 | -175.4 | -175.7 | 120.9 | 0 | 110.7 | D343 E348 D349 C350 | D343-K346 HydrophobicContact CB-CB 4.34Å; D343-K346 HydrophobicContact CB-CD 4.45Å; D343-K346 HydrophobicContact CB-CG 4.46Å; D343-K346 PolarHBondContact O-N 2.75Å; D343-K346 VanDerWaalsContact O-N 3.09Å; D343-K346 WeakPolarHBondContact OD2-CD 3.44Å; D343-K346 WeakPolarHBondContact OD2-CE 3.33Å; D343-K346 IonicContact OD2-NZ 3.99Å; D343-K346 PolarHBondContact OD2-NZ 3.47Å; K346-E348 VanDerWaalsContact C-N 3.28Å; K346-E348 PolarHBondContact O-N 2.9Å; K346-D349 HydrophobicContact CB-CB 4.06Å; K346-D349 PolarHBondContact O-N 3.41Å; K346-D349 VanDerWaalsContact O-N 3.11Å; K346-C350 PolarHBondContact O-N 3.04Å; K346-C350 VanDerWaalsContact O-N 3.08Å; K346-C350 PolarHBondContact O-SG 3.21Å | ||
| 347 | A | 82.5 | Confident | 85 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.5 | -40.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q275 D349 C350 W351 | Q275-A347 HydrophobicContact CB-CB 4.24Å; Q275-A347 HydrophobicContact CG-CB 4.33Å; Q275-A347 WeakPolarHBondContact CG-O 3.2Å; A347-D349 VanDerWaalsContact C-N 3.34Å; A347-D349 PolarHBondContact O-N 2.84Å; A347-C350 PolarHBondContact O-N 3.25Å; A347-W351 PolarHBondContact O-N 2.79Å |
| 348 | E | 84.4 | Confident | 84 | Confident | 175 Ų | 175 | 56.3 Ų | 56.3 | 82% | 0.818 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 178.2 | -64.6 | -174.4 | 174.6 | 0 | 0 | 112.7 | K346 W351 K352 | K346-E348 VanDerWaalsContact C-N 3.28Å; K346-E348 PolarHBondContact O-N 2.9Å; E348-W351 PolarHBondContact O-N 2.76Å; E348-K352 WeakPolarHBondContact O-CB 3.48Å; E348-K352 PolarHBondContact O-N 3.12Å |
| 349 | D | 84.9 | Confident | 83.1 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.193 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 178.7 | -168.2 | 48.1 | 0 | 0 | 0 | 110.8 | D343 K346 A347 W351 K352 Q353 | D343-D349 PolarHBondContact N-OD2 2.87Å; K346-D349 HydrophobicContact CB-CB 4.06Å; K346-D349 PolarHBondContact O-N 3.41Å; K346-D349 VanDerWaalsContact O-N 3.11Å; A347-D349 VanDerWaalsContact C-N 3.34Å; A347-D349 PolarHBondContact O-N 2.84Å; D349-W351 VanDerWaalsContact C-N 3.27Å; D349-W351 PolarHBondContact O-N 3.13Å; D349-K352 PolarHBondContact O-N 2.87Å; D349-Q353 WeakPolarHBondContact O-CB 3.21Å; D349-Q353 VanDerWaalsContact O-CG 3.22Å; D349-Q353 WeakPolarHBondContact O-CG 3.42Å; D349-Q353 PolarHBondContact O-N 2.88Å |
| 350 | C | 83.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 172.8 | -67.8 | 0 | 0 | 0 | 0 | 112 | I271 Q275 D343 K346 A347 L354 | I271-C350 HydrophobicContact CG2-CB 4.09Å; Q275-C350 HydrophobicContact CG-CB 3.54Å; Q275-C350 VanDerWaalsContact NE2-C 3.31Å; D343-C350 PolarHBondContact O-SG 3.14Å; K346-C350 PolarHBondContact O-N 3.04Å; K346-C350 VanDerWaalsContact O-N 3.08Å; K346-C350 PolarHBondContact O-SG 3.21Å; A347-C350 PolarHBondContact O-N 3.25Å; C350-L354 WeakPolarHBondContact O-CB 3.29Å; C350-L354 PolarHBondContact O-N 3.03Å |
| 351 | W | 80.2 | Confident | 81.3 | Confident | 97 Ų | 97 | 54 Ų | 54 | 37% | 0.367 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 176.9 | -178.1 | -108.7 | 0 | 0 | 0 | 112.4 | Y272 Q275 A347 E348 D349 L354 H355 | Y272-W351 HydrophobicContact CD2-CE3 4.27Å; Y272-W351 HydrophobicContact CD2-CZ3 4.29Å; Y272-W351 AromaticContact CE2-CE3 3.96Å; Y272-W351 HydrophobicContact CE2-CE3 3.96Å; Y272-W351 AromaticContact CE2-CZ3 3.71Å; Y272-W351 HydrophobicContact CE2-CZ3 3.71Å; Q275-W351 VanDerWaalsContact NE2-N 3.12Å; A347-W351 PolarHBondContact O-N 2.79Å; E348-W351 PolarHBondContact O-N 2.76Å; D349-W351 VanDerWaalsContact C-N 3.27Å; D349-W351 PolarHBondContact O-N 3.13Å; W351-L354 HydrophobicContact CE3-CD2 4.26Å; W351-L354 HydrophobicContact CZ3-CD2 4.28Å; W351-L354 PolarHBondContact O-N 3.49Å; W351-H355 AromaticContact CD2-CE1 3.45Å; W351-H355 VanDerWaalsContact CD2-CE1 3.45Å; W351-H355 AromaticContact CD2-ND1 3.66Å; W351-H355 AromaticContact CE2-CE1 2.95Å; W351-H355 AromaticContact CE2-ND1 3.55Å; W351-H355 AromaticContact CE2-NE2 3.48Å; W351-H355 AromaticContact CE3-CE1 3.76Å; W351-H355 AromaticContact CH2-CE1 3.3Å; W351-H355 WeakPolarHBondContact CH2-CE1 3.3Å; W351-H355 AromaticContact CH2-NE2 3.98Å; W351-H355 AromaticContact CZ2-CE1 2.92Å; W351-H355 WeakPolarHBondContact CZ2-CE1 3.45Å; W351-H355 AromaticContact CZ2-ND1 3.94Å; W351-H355 AromaticContact CZ2-NE2 3.31Å; W351-H355 VanDerWaalsContact CZ2-NE2 3.31Å; W351-H355 WeakPolarHBondContact CZ2-NE2 3.49Å; W351-H355 AromaticContact CZ3-CE1 3.67Å; W351-H355 AromaticContact NE1-CE1 3.43Å; W351-H355 PolarHBondContact NE1-CE1 3.2Å; W351-H355 AromaticContact NE1-ND1 3.74Å; W351-H355 AromaticContact NE1-NE2 3.64Å; W351-H355 PolarHBondContact O-N 2.77Å; W351-H355 PolarHBondContact O-ND1 3.41Å |
| 352 | K | 83.1 | Confident | 80.3 | Confident | 149 Ų | 149 | 53 Ų | 53 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 177.9 | -175.8 | -178.2 | 177.5 | -175.5 | 0 | 111.5 | E348 D349 H355 G356 | E348-K352 WeakPolarHBondContact O-CB 3.48Å; E348-K352 PolarHBondContact O-N 3.12Å; D349-K352 PolarHBondContact O-N 2.87Å; K352-H355 PolarHBondContact O-N 3.36Å; K352-G356 PolarHBondContact O-N 2.94Å |
| 353 | Q | 82.4 | Confident | 79.2 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 178.8 | -66.8 | -71.1 | 13.1 | 0 | 0 | 111.5 | Q338 T341 V342 D349 G357 | Q338-Q353 HydrophobicContact CG-CB 4.19Å; Q338-Q353 PolarHBondContact NE2-O 2.91Å; T341-Q353 PolarHBondContact OG1-NE2 2.88Å; V342-Q353 HydrophobicContact CB-CG 4.14Å; V342-Q353 HydrophobicContact CG2-CB 4.39Å; V342-Q353 HydrophobicContact CG2-CG 4.08Å; D349-Q353 WeakPolarHBondContact O-CB 3.21Å; D349-Q353 VanDerWaalsContact O-CG 3.22Å; D349-Q353 WeakPolarHBondContact O-CG 3.42Å; D349-Q353 PolarHBondContact O-N 2.88Å; Q353-G357 PolarHBondContact O-N 2.87Å |
| 354 | L | 78.6 | Confident | 78 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 172.6 | 177.8 | 68.8 | 0 | 0 | 0 | 111.4 | Y268 Y272 C350 W351 G357 C358 | Y268-L354 HydrophobicContact CD2-CD1 4Å; Y268-L354 HydrophobicContact CG-CD1 4.2Å; Y272-L354 HydrophobicContact CD2-CD2 3.55Å; Y272-L354 HydrophobicContact CE2-CD2 4.37Å; Y272-L354 HydrophobicContact CG-CD2 4.09Å; C350-L354 WeakPolarHBondContact O-CB 3.29Å; C350-L354 PolarHBondContact O-N 3.03Å; W351-L354 HydrophobicContact CE3-CD2 4.26Å; W351-L354 HydrophobicContact CZ3-CD2 4.28Å; W351-L354 PolarHBondContact O-N 3.49Å; L354-G357 PolarHBondContact O-N 3.16Å; L354-C358 WeakPolarHBondContact O-CB 3.4Å; L354-C358 PolarHBondContact O-N 3.44Å; L354-C358 PolarHBondContact O-SG 2.67Å |
| 355 | H | 75.2 | Confident | 76.7 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | 179.4 | -81.6 | 50 | 0 | 0 | 0 | 111.9 | I105 W351 K352 N359 | I105-H355 WeakPolarHBondContact CD1-CD2 2.92Å; I105-H355 WeakPolarHBondContact CD1-CE1 3.35Å; I105-H355 WeakPolarHBondContact CD1-NE2 3.34Å; W351-H355 AromaticContact CD2-CE1 3.45Å; W351-H355 VanDerWaalsContact CD2-CE1 3.45Å; W351-H355 AromaticContact CD2-ND1 3.66Å; W351-H355 AromaticContact CE2-CE1 2.95Å; W351-H355 AromaticContact CE2-ND1 3.55Å; W351-H355 AromaticContact CE2-NE2 3.48Å; W351-H355 AromaticContact CE3-CE1 3.76Å; W351-H355 AromaticContact CH2-CE1 3.3Å; W351-H355 WeakPolarHBondContact CH2-CE1 3.3Å; W351-H355 AromaticContact CH2-NE2 3.98Å; W351-H355 AromaticContact CZ2-CE1 2.92Å; W351-H355 WeakPolarHBondContact CZ2-CE1 3.45Å; W351-H355 AromaticContact CZ2-ND1 3.94Å; W351-H355 AromaticContact CZ2-NE2 3.31Å; W351-H355 VanDerWaalsContact CZ2-NE2 3.31Å; W351-H355 WeakPolarHBondContact CZ2-NE2 3.49Å; W351-H355 AromaticContact CZ3-CE1 3.67Å; W351-H355 AromaticContact NE1-CE1 3.43Å; W351-H355 PolarHBondContact NE1-CE1 3.2Å; W351-H355 AromaticContact NE1-ND1 3.74Å; W351-H355 AromaticContact NE1-NE2 3.64Å; W351-H355 PolarHBondContact O-N 2.77Å; W351-H355 PolarHBondContact O-ND1 3.41Å; K352-H355 PolarHBondContact O-N 3.36Å; H355-N359 WeakPolarHBondContact O-CB 3.29Å; H355-N359 VanDerWaalsContact O-CG 3.25Å; H355-N359 PolarHBondContact O-N 3.29Å; H355-N359 PolarHBondContact O-ND2 3.49Å |
| 356 | G | 73.5 | Confident | 75.5 | Confident | 33 Ų | 33 | 56 Ų | 56 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K352 N359 F360 | K352-G356 PolarHBondContact O-N 2.94Å; G356-N359 PolarHBondContact O-N 2.85Å; G356-F360 WeakPolarHBondContact O-CB 3.49Å; G356-F360 PolarHBondContact O-N 2.87Å |
| 357 | G | 71.3 | Confident | 73.8 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | H334 Q353 L354 N359 F360 I361 | H334-G357 WeakPolarHBondContact NE2-CA 3.27Å; Q353-G357 PolarHBondContact O-N 2.87Å; L354-G357 PolarHBondContact O-N 3.16Å; G357-N359 PolarHBondContact O-N 3.34Å; G357-F360 PolarHBondContact O-N 3.4Å; G357-I361 WeakPolarHBondContact O-CB 3.28Å; G357-I361 WeakPolarHBondContact O-CG1 3.23Å; G357-I361 PolarHBondContact O-N 3.46Å |
| 358 | C | 72.5 | Confident | 72 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.2 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | I105 L354 F360 I361 L362 | I105-C358 HydrophobicContact CG2-CB 4.25Å; L354-C358 WeakPolarHBondContact O-CB 3.4Å; L354-C358 PolarHBondContact O-N 3.44Å; L354-C358 PolarHBondContact O-SG 2.67Å; C358-F360 PolarHBondContact O-N 2.89Å; C358-I361 PolarHBondContact O-N 3.38Å; C358-L362 VanDerWaalsContact O-CB 3.3Å; C358-L362 WeakPolarHBondContact O-CB 3.44Å; C358-L362 WeakPolarHBondContact O-CD1 3.34Å; C358-L362 VanDerWaalsContact O-CG 3.23Å; C358-L362 WeakPolarHBondContact O-CG 3.42Å; C358-L362 PolarHBondContact O-N 2.93Å |
| 359 | N | 74.6 | Confident | 70.1 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.4 | -71.8 | -16.7 | 0 | 0 | 0 | 112.5 | H355 G356 G357 F363 | H355-N359 WeakPolarHBondContact O-CB 3.29Å; H355-N359 VanDerWaalsContact O-CG 3.25Å; H355-N359 PolarHBondContact O-N 3.29Å; H355-N359 PolarHBondContact O-ND2 3.49Å; G356-N359 PolarHBondContact O-N 2.85Å; G357-N359 PolarHBondContact O-N 3.34Å; N359-F363 PolarHBondContact O-N 2.96Å; N359-F363 VanDerWaalsContact O-N 3.08Å |
| 360 | F | 75.7 | Confident | 68.4 | Low | 57 Ų | 57 | 47.3 Ų | 47.3 | 25% | 0.25 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 177.9 | -170.8 | -86.8 | 0 | 0 | 0 | 111.3 | H334 G356 G357 C358 F363 F364 | H334-F360 HydrophobicContact CB-CD1 3.69Å; H334-F360 HydrophobicContact CB-CE1 3.34Å; H334-F360 HydrophobicContact CB-CE2 4.39Å; H334-F360 HydrophobicContact CB-CG 4.36Å; H334-F360 HydrophobicContact CB-CZ 3.72Å; H334-F360 AromaticContact CD2-CD1 3.83Å; H334-F360 WeakPolarHBondContact CE1-CB 3.14Å; H334-F360 AromaticContact CE1-CD1 3.93Å; H334-F360 AromaticContact CE1-CD2 3.64Å; H334-F360 AromaticContact CE1-CG 3.38Å; H334-F360 WeakPolarHBondContact CE1-CG 3.06Å; H334-F360 AromaticContact CG-CD1 3.36Å; H334-F360 AromaticContact CG-CE1 3.56Å; H334-F360 AromaticContact CG-CG 3.64Å; H334-F360 AromaticContact CG-CZ 3.96Å; H334-F360 AromaticContact ND1-CD1 3.45Å; H334-F360 WeakPolarHBondContact ND1-CD1 3.37Å; H334-F360 AromaticContact ND1-CD2 3.26Å; H334-F360 VanDerWaalsContact ND1-CD2 3.26Å; H334-F360 WeakPolarHBondContact ND1-CD2 3.31Å; H334-F360 AromaticContact ND1-CE1 3.74Å; H334-F360 AromaticContact ND1-CE2 3.54Å; H334-F360 AromaticContact ND1-CG 3.2Å; H334-F360 WeakPolarHBondContact ND1-CG 3.48Å; H334-F360 AromaticContact ND1-CZ 3.77Å; H334-F360 AromaticContact NE2-CG 3.92Å; G356-F360 WeakPolarHBondContact O-CB 3.49Å; G356-F360 PolarHBondContact O-N 2.87Å; G357-F360 PolarHBondContact O-N 3.4Å; C358-F360 PolarHBondContact O-N 2.89Å; F360-F363 WeakPolarHBondContact O-CB 3.38Å; F360-F363 PolarHBondContact O-N 2.92Å; F360-F363 VanDerWaalsContact O-N 3.16Å; F360-F364 AromaticContact CD1-CD2 3.65Å; F360-F364 HydrophobicContact CD1-CD2 3.65Å; F360-F364 HydrophobicContact CD1-CE2 4.15Å; F360-F364 HydrophobicContact CD2-CD2 4.17Å; F360-F364 AromaticContact CD2-CE2 3.95Å; F360-F364 HydrophobicContact CD2-CE2 3.95Å; F360-F364 AromaticContact CE1-CD2 3.29Å; F360-F364 HydrophobicContact CE1-CD2 3.29Å; F360-F364 AromaticContact CE1-CE2 3.54Å; F360-F364 HydrophobicContact CE1-CE2 3.54Å; F360-F364 HydrophobicContact CE1-CG 4.09Å; F360-F364 HydrophobicContact CE1-CZ 4.46Å; F360-F364 AromaticContact CE2-CD2 3.88Å; F360-F364 HydrophobicContact CE2-CD2 3.88Å; F360-F364 AromaticContact CE2-CE2 3.34Å; F360-F364 HydrophobicContact CE2-CE2 3.34Å; F360-F364 HydrophobicContact CE2-CZ 4.28Å; F360-F364 HydrophobicContact CG-CD2 4.08Å; F360-F364 HydrophobicContact CG-CE2 4.34Å; F360-F364 AromaticContact CZ-CD2 3.43Å; F360-F364 HydrophobicContact CZ-CD2 3.43Å; F360-F364 VanDerWaalsContact CZ-CD2 3.43Å; F360-F364 AromaticContact CZ-CE2 3.1Å; F360-F364 HydrophobicContact CZ-CE2 3.1Å; F360-F364 HydrophobicContact CZ-CG 4.43Å; F360-F364 AromaticContact CZ-CZ 3.87Å; F360-F364 HydrophobicContact CZ-CZ 3.87Å; F360-F364 WeakPolarHBondContact O-CD2 3.28Å; F360-F364 PolarHBondContact O-N 3.44Å |
| 361 | I | 71.1 | Confident | 66.7 | Low | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 178.1 | -69.5 | 173 | 0 | 0 | 0 | 110.9 | L112 W116 W264 L335 G357 C358 F363 F364 F365 | L112-I361 HydrophobicContact CD1-CG2 4.33Å; W116-I361 HydrophobicContact CH2-CG2 4.45Å; W116-I361 HydrophobicContact CZ2-CG2 3.82Å; W264-I361 HydrophobicContact CD2-CD1 4.44Å; W264-I361 HydrophobicContact CH2-CB 4.31Å; W264-I361 HydrophobicContact CH2-CD1 4.41Å; W264-I361 HydrophobicContact CH2-CG2 3.63Å; W264-I361 HydrophobicContact CZ2-CB 3.93Å; W264-I361 HydrophobicContact CZ2-CD1 3.36Å; W264-I361 HydrophobicContact CZ2-CG1 4.22Å; W264-I361 HydrophobicContact CZ2-CG2 3.64Å; W264-I361 HydrophobicContact CZ3-CG2 4.34Å; L335-I361 HydrophobicContact CD2-CD1 4.26Å; G357-I361 WeakPolarHBondContact O-CB 3.28Å; G357-I361 WeakPolarHBondContact O-CG1 3.23Å; G357-I361 PolarHBondContact O-N 3.46Å; C358-I361 PolarHBondContact O-N 3.38Å; I361-F363 PolarHBondContact O-N 3.26Å; I361-F364 PolarHBondContact O-N 3.28Å; I361-F365 HydrophobicContact CG2-CB 4.49Å; I361-F365 HydrophobicContact CG2-CD2 3.94Å; I361-F365 WeakPolarHBondContact O-CA 3.35Å; I361-F365 WeakPolarHBondContact O-CB 3.37Å; I361-F365 PolarHBondContact O-N 3.13Å |
| 362 | L | 70.6 | Confident | 65.3 | Low | 36 Ų | 36 | 46.7 Ų | 46.7 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56 | -38.1 | 170.1 | -82.2 | 163.4 | 0 | 0 | 0 | 112.6 | W108 L112 C358 S366 | W108-L362 HydrophobicContact CB-CD1 4.06Å; W108-L362 HydrophobicContact CB-CD2 4.02Å; W108-L362 HydrophobicContact CD2-CD1 4.25Å; W108-L362 HydrophobicContact CD2-CD2 3.72Å; W108-L362 HydrophobicContact CE3-CD2 3.41Å; W108-L362 VanDerWaalsContact CE3-CD2 3.41Å; W108-L362 HydrophobicContact CG-CD1 3.91Å; W108-L362 HydrophobicContact CG-CD2 3.99Å; W108-L362 HydrophobicContact CZ3-CD2 4.12Å; L112-L362 HydrophobicContact CD1-CD2 3.87Å; L112-L362 HydrophobicContact CD1-CG 4.01Å; L112-L362 HydrophobicContact CD2-CD2 3.74Å; L112-L362 HydrophobicContact CD2-CG 4.48Å; L112-L362 HydrophobicContact CG-CD2 3.85Å; C358-L362 VanDerWaalsContact O-CB 3.3Å; C358-L362 WeakPolarHBondContact O-CB 3.44Å; C358-L362 WeakPolarHBondContact O-CD1 3.34Å; C358-L362 VanDerWaalsContact O-CG 3.23Å; C358-L362 WeakPolarHBondContact O-CG 3.42Å; C358-L362 PolarHBondContact O-N 2.93Å; L362-S366 WeakPolarHBondContact O-CA 3.35Å; L362-S366 WeakPolarHBondContact O-CB 3.44Å; L362-S366 PolarHBondContact O-N 2.95Å; L362-S366 VanDerWaalsContact O-N 3.16Å |
| 363 | F | 67.8 | Low | 63.5 | Low | 136 Ų | 136 | 42.5 Ų | 42.5 | 60% | 0.596 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73 | -50.7 | 179.6 | -176.6 | -95.9 | 0 | 0 | 0 | 112 | N359 F360 I361 S366 M369 | N359-F363 PolarHBondContact O-N 2.96Å; N359-F363 VanDerWaalsContact O-N 3.08Å; F360-F363 WeakPolarHBondContact O-CB 3.38Å; F360-F363 PolarHBondContact O-N 2.92Å; F360-F363 VanDerWaalsContact O-N 3.16Å; I361-F363 PolarHBondContact O-N 3.26Å; F363-S366 WeakPolarHBondContact O-CB 3.5Å; F363-S366 PolarHBondContact O-N 3.24Å; F363-M369 HydrophobicContact CE1-SD 4.28Å |
| 364 | F | 63.8 | Low | 61.9 | Low | 43 Ų | 43 | 46.4 Ų | 46.4 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -78.9 | -28.8 | -174.7 | -82.4 | -83.7 | 0 | 0 | 0 | 114.3 | A330 V331 F360 I361 | A330-F364 HydrophobicContact CB-CD1 4.11Å; A330-F364 HydrophobicContact CB-CE1 3.84Å; A330-F364 HydrophobicContact CB-CZ 4.28Å; V331-F364 HydrophobicContact CG2-CB 4.09Å; F360-F364 AromaticContact CD1-CD2 3.65Å; F360-F364 HydrophobicContact CD1-CD2 3.65Å; F360-F364 HydrophobicContact CD1-CE2 4.15Å; F360-F364 HydrophobicContact CD2-CD2 4.17Å; F360-F364 AromaticContact CD2-CE2 3.95Å; F360-F364 HydrophobicContact CD2-CE2 3.95Å; F360-F364 AromaticContact CE1-CD2 3.29Å; F360-F364 HydrophobicContact CE1-CD2 3.29Å; F360-F364 AromaticContact CE1-CE2 3.54Å; F360-F364 HydrophobicContact CE1-CE2 3.54Å; F360-F364 HydrophobicContact CE1-CG 4.09Å; F360-F364 HydrophobicContact CE1-CZ 4.46Å; F360-F364 AromaticContact CE2-CD2 3.88Å; F360-F364 HydrophobicContact CE2-CD2 3.88Å; F360-F364 AromaticContact CE2-CE2 3.34Å; F360-F364 HydrophobicContact CE2-CE2 3.34Å; F360-F364 HydrophobicContact CE2-CZ 4.28Å; F360-F364 HydrophobicContact CG-CD2 4.08Å; F360-F364 HydrophobicContact CG-CE2 4.34Å; F360-F364 AromaticContact CZ-CD2 3.43Å; F360-F364 HydrophobicContact CZ-CD2 3.43Å; F360-F364 VanDerWaalsContact CZ-CD2 3.43Å; F360-F364 AromaticContact CZ-CE2 3.1Å; F360-F364 HydrophobicContact CZ-CE2 3.1Å; F360-F364 HydrophobicContact CZ-CG 4.43Å; F360-F364 AromaticContact CZ-CZ 3.87Å; F360-F364 HydrophobicContact CZ-CZ 3.87Å; F360-F364 WeakPolarHBondContact O-CD2 3.28Å; F360-F364 PolarHBondContact O-N 3.44Å; I361-F364 PolarHBondContact O-N 3.28Å |
| 365 | F | 62.6 | Low | 61.1 | Low | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 23.9 | 172 | -75.4 | -91.3 | 0 | 0 | 0 | 112.5 | W116 L311 L328 V331 I361 | W116-F365 HydrophobicContact CD2-CD1 4.3Å; W116-F365 AromaticContact CE2-CD1 3.96Å; W116-F365 AromaticContact CE2-CG 3.95Å; W116-F365 HydrophobicContact CG-CD1 4.32Å; W116-F365 HydrophobicContact CZ2-CB 4.16Å; W116-F365 HydrophobicContact CZ2-CD1 4.4Å; W116-F365 HydrophobicContact CZ2-CD2 4.42Å; W116-F365 HydrophobicContact CZ2-CG 4.12Å; W116-F365 AromaticContact NE1-CD1 3.86Å; W116-F365 AromaticContact NE1-CG 3.77Å; L311-F365 HydrophobicContact CD1-CZ 3.95Å; L328-F365 HydrophobicContact CD1-CZ 4.49Å; V331-F365 HydrophobicContact CB-CE2 4.12Å; V331-F365 HydrophobicContact CG1-CE2 4.04Å; V331-F365 HydrophobicContact CG2-CD2 3.88Å; V331-F365 HydrophobicContact CG2-CE2 3.4Å; V331-F365 HydrophobicContact CG2-CZ 4.4Å; I361-F365 HydrophobicContact CG2-CB 4.49Å; I361-F365 HydrophobicContact CG2-CD2 3.94Å; I361-F365 WeakPolarHBondContact O-CA 3.35Å; I361-F365 WeakPolarHBondContact O-CB 3.37Å; I361-F365 PolarHBondContact O-N 3.13Å |
| 366 | S | 60.1 | Low | 60.4 | Low | 36 Ų | 36 | 47.9 Ų | 47.9 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -57.2 | 138.8 | 162.7 | 178 | 0 | 0 | 0 | 0 | 108.1 | L362 F363 S368 M369 T370 | L362-S366 WeakPolarHBondContact O-CA 3.35Å; L362-S366 WeakPolarHBondContact O-CB 3.44Å; L362-S366 PolarHBondContact O-N 2.95Å; L362-S366 VanDerWaalsContact O-N 3.16Å; F363-S366 WeakPolarHBondContact O-CB 3.5Å; F363-S366 PolarHBondContact O-N 3.24Å; S366-S368 PolarHBondContact O-N 3.45Å; S366-M369 PolarHBondContact O-N 3.31Å; S366-T370 PolarHBondContact O-N 3.47Å; S366-T370 PolarHBondContact O-OG1 3.34Å |
| 367 | P | 52.6 | Low | 59.6 | Low | 25 Ų | 25 | 48.8 Ų | 48.8 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -17.8 | 176.4 | 13.9 | -25.9 | 0 | 0 | 0 | 113.6 | P128 L133 | P128-P367 HydrophobicContact CG-CB 3.7Å; L133-P367 HydrophobicContact CD1-CB 4.25Å; L133-P367 HydrophobicContact CD1-CG 4.14Å; L133-P367 HydrophobicContact CD2-CG 4.47Å |
| 368 | S | 44.7 | Very low | 59 | Low | 78 Ų | 78 | 51.4 Ų | 51.4 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.5 | 175.6 | -42.6 | 0 | 0 | 0 | 0 | 115.4 | S366 I371 | S366-S368 PolarHBondContact O-N 3.45Å; S368-I371 WeakPolarHBondContact O-CD1 3.5Å; S368-I371 WeakPolarHBondContact O-CG1 3.36Å |
| 369 | M | 44.1 | Very low | 58.1 | Low | 92 Ų | 92 | 54.4 Ų | 54.4 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -24 | 174.3 | -75.8 | -153.6 | 86.5 | 0 | 0 | 112.5 | F363 S366 I371 | F363-M369 HydrophobicContact CE1-SD 4.28Å; S366-M369 PolarHBondContact O-N 3.31Å; M369-I371 PolarHBondContact O-N 2.97Å |
| 370 | T | 49.8 | Very low | 57 | Low | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -74.7 | 40.5 | 158.5 | -33.4 | 0 | 0 | 0 | 0 | 110.1 | Y324 S366 V372 | Y324-T370 HydrophobicContact CD2-CG2 4.09Å; Y324-T370 HydrophobicContact CE2-CG2 4.4Å; S366-T370 PolarHBondContact O-N 3.47Å; S366-T370 PolarHBondContact O-OG1 3.34Å; T370-V372 PolarHBondContact O-N 2.85Å |
| 371 | I | 47.7 | Very low | 55.7 | Low | 81 Ų | 81 | 51.2 Ų | 51.2 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | trans | -60.2 | 114.7 | 172.1 | -75.7 | 165.4 | 0 | 0 | 0 | 105.7 | L127 S368 M369 C373 | L127-I371 HydrophobicContact CD2-CG1 4.31Å; S368-I371 WeakPolarHBondContact O-CD1 3.5Å; S368-I371 WeakPolarHBondContact O-CG1 3.36Å; M369-I371 PolarHBondContact O-N 2.97Å; I371-C373 PolarHBondContact O-N 3.13Å | ||
| 372 | V | 50 | Low | 54.5 | Low | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | trans | -61.2 | 73 | 166.9 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | A119 A122 G125 T370 R374 | A119-V372 WeakPolarHBondContact O-CG2 3.32Å; A122-V372 HydrophobicContact CB-CG2 4.44Å; G125-V372 PolarHBondContact N-O 3.2Å; G125-V372 VanDerWaalsContact N-O 3.11Å; T370-V372 PolarHBondContact O-N 2.85Å; V372-R374 HydrophobicContact CG1-CB 4.09Å; V372-R374 HydrophobicContact CG1-CG 3.82Å; V372-R374 PolarHBondContact O-N 2.63Å; V372-R374 VanDerWaalsContact O-N 3.11Å | ||
| 373 | C | 45.1 | Very low | 53.2 | Low | 61 Ų | 61 | 56.5 Ų | 56.5 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | trans | -74 | 83.2 | 147.6 | -71.2 | 0 | 0 | 0 | 0 | 103.6 | T321 I371 | T321-C373 WeakPolarHBondContact CB-O 3.3Å; T321-C373 HydrophobicContact CG2-CB 4.47Å; T321-C373 WeakPolarHBondContact CG2-O 3.29Å; T321-C373 PolarHBondContact N-O 2.98Å; T321-C373 WeakPolarHBondContact OG1-CB 3.43Å; T321-C373 PolarHBondContact OG1-O 3.34Å; I371-C373 PolarHBondContact O-N 3.13Å | ||
| 374 | R | 49.8 | Very low | 51.8 | Low | 104 Ų | 104 | 49.3 Ų | 49.3 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | trans | -91 | 0 | 151.8 | -79.8 | -166.6 | -158.2 | -147.2 | 6.1 | 106.3 | L120 P124 A318 E319 V372 | L120-R374 PolarHBondContact O-NH2 3.42Å; P124-R374 HydrophobicContact CB-CB 3.78Å; P124-R374 HydrophobicContact CG-CB 4.05Å; A318-R374 VanDerWaalsContact CB-NH2 3.3Å; A318-R374 PolarHBondContact O-NE 2.8Å; A318-R374 PolarHBondContact O-NH1 2.97Å; A318-R374 PolarHBondContact O-NH2 3.23Å; A318-R374 VanDerWaalsContact O-NH2 3.13Å; E319-R374 HydrophobicContact CB-CG 4.49Å; E319-R374 WeakPolarHBondContact O-CG 3.2Å; E319-R374 IonicContact OE2-NH1 3.47Å; E319-R374 PolarHBondContact OE2-NH1 3.11Å; V372-R374 HydrophobicContact CG1-CB 4.09Å; V372-R374 HydrophobicContact CG1-CG 3.82Å; V372-R374 PolarHBondContact O-N 2.63Å; V372-R374 VanDerWaalsContact O-N 3.11Å |
Retrieved 374 of 374 residues in 457.8 ms
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