| 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 | 38.7 | Very low | 34.3 | Very low | 236 Ų | 236 | 150.2 Ų | 150.2 | 100% | 1.163 | 82% | 0.82 | S | S | * | * | 0 | 97 | 0 | -97.5 | -170 | 169.8 | 0 | 0 | 105.7 | |||||
| 2 | D | 36.9 | Very low | 33.8 | Very low | 147 Ų | 147 | 152.2 Ų | 152.2 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -102 | 148.2 | -160.5 | -48.3 | -93.6 | 0 | 0 | 0 | 107.9 | ||||
| 3 | T | 41.5 | Very low | 33.3 | Very low | 151 Ų | 151 | 156.8 Ų | 156.8 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | -142.1 | 129.9 | 153.5 | 31.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | E | 38.3 | Very low | 33 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -95.4 | 156.2 | -163.5 | -61.2 | 169 | 102.1 | 0 | 0 | 113.4 | ||||
| 5 | S | 37.7 | Very low | 32.5 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 69.1 | 144.9 | 144.2 | 79.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 6 | T | 32.5 | Very low | 32.3 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | -157.9 | 143 | 78.5 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 7 | Y | 33.3 | Very low | 32.1 | Very low | 217 Ų | 217 | 147 Ų | 147 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -80 | 139.9 | 175.8 | 173 | -85.1 | 0 | 0 | 0 | 111.8 | ||||
| 8 | S | 33.3 | Very low | 32 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -149.1 | 130 | 159.5 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 9 | G | 28.2 | Very low | 31.9 | Very low | 50 Ų | 50 | 151.7 Ų | 151.7 | 52% | 0.515 | 79% | 0.789 | S | S | . | * | trans | -126.7 | -176.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 10 | Y | 29.2 | Very low | 31.9 | Very low | 214 Ų | 214 | 150.3 Ų | 150.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 68.1 | 147.8 | -167.4 | -83.9 | -102.7 | 0 | 0 | 0 | 114.1 | Y12 | Y10-Y12 HydrophobicContact CD1-CD2 4.25Å; Y10-Y12 AromaticContact CE1-CD2 3.99Å; Y10-Y12 HydrophobicContact CE1-CD2 3.99Å; Y10-Y12 HydrophobicContact CE1-CE2 4.34Å | ||
| 11 | S | 28.1 | Very low | 31.9 | Very low | 105 Ų | 105 | 150.1 Ų | 150.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -146.7 | 146.4 | 11.1 | 40.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 12 | Y | 27.5 | Very low | 31.5 | Very low | 174 Ų | 174 | 151 Ų | 151 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | 77.7 | 125.2 | 68.3 | -108.7 | -63.2 | 0 | 0 | 0 | 117.2 | Y10 | Y10-Y12 HydrophobicContact CD1-CD2 4.25Å; Y10-Y12 AromaticContact CE1-CD2 3.99Å; Y10-Y12 HydrophobicContact CE1-CD2 3.99Å; Y10-Y12 HydrophobicContact CE1-CE2 4.34Å | |||
| 13 | Y | 28.2 | Very low | 31.3 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 64.8 | 149.9 | 171.7 | -77 | -79.6 | 0 | 0 | 0 | 116.9 | ||||
| 14 | S | 28.3 | Very low | 30.7 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -160.4 | 177.4 | -3.4 | 100.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 15 | S | 26.6 | Very low | 30.4 | Very low | 87 Ų | 87 | 147 Ų | 147 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | cis | -176.3 | 172.9 | -22.6 | 55 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | H | 28.9 | Very low | 30 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | trans | 64.1 | 152.9 | 173.2 | -77.2 | -85.5 | 0 | 0 | 0 | 117.4 | ||||
| 17 | S | 28.9 | Very low | 29.9 | Very low | 89 Ų | 89 | 152.5 Ų | 152.5 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | cis | -158.3 | 167.6 | -8.8 | 52.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 18 | K | 29.8 | Very low | 30.1 | Very low | 198 Ų | 198 | 153.7 Ų | 153.7 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | cis | -156.6 | 141.9 | 45.5 | -67.7 | 176 | 176.7 | 171.8 | 0 | 111.9 | ||||
| 19 | K | 30.5 | Very low | 30 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 147.8 | 155.3 | -80.1 | 177 | 171 | 177.7 | 0 | 109.3 | ||
| 20 | S | 32.6 | Very low | 30.5 | Very low | 123 Ų | 123 | 164.8 Ų | 164.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -100 | 116.7 | 156.6 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 21 | H | 30.9 | Very low | 30.7 | Very low | 146 Ų | 146 | 161.9 Ų | 161.9 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 138.4 | 167.1 | -108.3 | -97.7 | 0 | 0 | 0 | 109 | ||
| 22 | R | 31.1 | Very low | 31 | Very low | 255 Ų | 255 | 166.9 Ų | 166.9 | 96% | 0.962 | 79% | 0.79 | S | S | * | * | trans | -126 | 126 | 145.5 | -103.6 | -175.4 | 172.6 | 178.2 | -1.9 | 107.8 | ||||
| 23 | Q | 31.5 | Very low | 31.1 | Very low | 154 Ų | 154 | 164 Ų | 164 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -119.5 | 134.1 | -174.9 | -174.4 | 174.9 | -0.5 | 0 | 0 | 107.6 | ||||
| 24 | G | 29.5 | Very low | 31.5 | Very low | 80 Ų | 80 | 160 Ų | 160 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -150.9 | 100.3 | 176 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 25 | E | 31.4 | Very low | 31.6 | Very low | 152 Ų | 152 | 165.6 Ų | 165.6 | 71% | 0.71 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 172 | 179.4 | -75.2 | -169 | 127.1 | 0 | 0 | 112.5 | ||||
| 26 | R | 30.6 | Very low | 31.8 | Very low | 222 Ų | 222 | 167.2 Ų | 167.2 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | 82.6 | 135.4 | 168.2 | -50 | -179.8 | -177.7 | -177.1 | -0.5 | 113.3 | ||||
| 27 | T | 29.3 | Very low | 32 | Very low | 135 Ų | 135 | 166.6 Ų | 166.6 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | cis | -152.5 | 165.6 | 4.2 | -10.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 28 | R | 38.5 | Very low | 32.1 | Very low | 242 Ų | 242 | 170.5 Ų | 170.5 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -57.1 | 138.2 | 167.8 | -73.3 | 170.4 | 164 | 155.8 | -6 | 110.8 | ||||
| 29 | E | 29.9 | Very low | 32.2 | Very low | 160 Ų | 160 | 163.9 Ų | 163.9 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -152.4 | 139.8 | 137.8 | -127.9 | 172.4 | -137.6 | 0 | 0 | 113.2 | H31 | E29-H31 IonicContact OE2-CD2 3.6Å; E29-H31 IonicContact OE2-CE1 3.71Å; E29-H31 IonicContact OE2-NE2 3.33Å; E29-H31 PolarHBondContact OE2-NE2 3.39Å | ||
| 30 | R | 39.4 | Very low | 32.2 | Very low | 241 Ų | 241 | 167.5 Ų | 167.5 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -86.6 | 121.1 | 169.7 | -84.2 | 174 | 162.2 | 175.9 | -4.6 | 107.5 | ||||
| 31 | H | 34.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 165.4 Ų | 165.4 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -119.5 | 112.8 | 160.9 | -79.7 | -63.9 | 0 | 0 | 0 | 112 | E29 | E29-H31 IonicContact OE2-CD2 3.6Å; E29-H31 IonicContact OE2-CE1 3.71Å; E29-H31 IonicContact OE2-NE2 3.33Å; E29-H31 PolarHBondContact OE2-NE2 3.39Å | ||
| 32 | K | 33 | Very low | 32.2 | Very low | 210 Ų | 210 | 163.8 Ų | 163.8 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -70 | 139.9 | 158.8 | -71 | 170.3 | 170.7 | 174.8 | 0 | 107.6 | ||||
| 33 | S | 30.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 160.8 Ų | 160.8 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -110.6 | 152.4 | 156 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 34 | P | 36 | Very low | 32.4 | Very low | 128 Ų | 128 | 162.4 Ų | 162.4 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -94.2 | 156.5 | -149.7 | 35.1 | -36.1 | 0 | 0 | 0 | 115.2 | ||||
| 35 | R | 30.1 | Very low | 32.5 | Very low | 219 Ų | 219 | 164.3 Ų | 164.3 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -75.7 | 113.6 | 172.6 | -174.3 | -173.9 | -162 | 171.4 | 5.5 | 109.5 | ||||
| 36 | S | 31.6 | Very low | 32.4 | Very low | 122 Ų | 122 | 162.1 Ų | 162.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -73.3 | 137 | 157.9 | 52.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 37 | K | 31.8 | Very low | 32.5 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 74% | 0.735 | 82% | 0.821 | S | S | * | * | trans | -147.3 | 88.5 | -177 | -172.4 | -160.6 | 176.8 | -169.1 | 0 | 110.5 | ||||
| 38 | D | 32.8 | Very low | 32.5 | Very low | 171 Ų | 171 | 158.9 Ų | 158.9 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | -127 | 140.2 | 152.4 | -68.1 | -56.7 | 0 | 0 | 0 | 106.2 | ||||
| 39 | G | 30.6 | Very low | 32.2 | Very low | 60 Ų | 60 | 156.1 Ų | 156.1 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | cis | 156.3 | 122.4 | -1.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 40 | R | 31.6 | Very low | 32.1 | Very low | 261 Ų | 261 | 152.9 Ų | 152.9 | 99% | 0.985 | 82% | 0.816 | S | S | * | * | trans | 73 | 137.3 | -172 | -46.2 | 169.4 | -178 | -135.9 | -1.9 | 113.8 | ||||
| 41 | G | 30.6 | Very low | 31.8 | Very low | 80 Ų | 80 | 147.2 Ų | 147.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | cis | 139.6 | 104.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 42 | S | 31.8 | Very low | 32 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -174 | 118.8 | 145.6 | -173 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 43 | E | 34.3 | Very low | 31.7 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -76.5 | 136.5 | 163 | -63.5 | 169 | 153.4 | 0 | 0 | 108.7 | ||||
| 44 | K | 33.3 | Very low | 32 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -164.7 | 89.4 | 155.2 | -111.3 | 166.5 | -171.4 | -177.7 | 0 | 110 | V46 | K44-V46 PolarHBondContact O-N 3.16Š| ||
| 45 | S | 31.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -68.1 | 121.1 | 162.2 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 46 | V | 27.8 | Very low | 31.7 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 65% | 0.648 | 81% | 0.813 | S | S | * | * | trans | -127.9 | 106.3 | 167.7 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | K44 I48 | K44-V46 PolarHBondContact O-N 3.16Å; V46-I48 HydrophobicContact CG1-CD1 4.29Å; V46-I48 HydrophobicContact CG1-CG1 3.75Å; V46-I48 PolarHBondContact O-N 3.39Å | ||
| 47 | T | 33.5 | Very low | 31.9 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 110.3 | 168.1 | -50.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 48 | I | 29.8 | Very low | 31.6 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 116.2 | 172.7 | -57.6 | -175.9 | 0 | 0 | 0 | 108.5 | V46 | V46-I48 HydrophobicContact CG1-CD1 4.29Å; V46-I48 HydrophobicContact CG1-CG1 3.75Å; V46-I48 PolarHBondContact O-N 3.39Å |
| 49 | Q | 30.7 | Very low | 31.4 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79 | 118.2 | 175.3 | -160 | 166.3 | 7.1 | 0 | 0 | 108 | ||
| 50 | A | 29.2 | Very low | 31.2 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 132.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 51 | P | 31.8 | Very low | 31.1 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 154.9 | 173.5 | 32.6 | -34.5 | 0 | 0 | 0 | 111.5 | ||
| 52 | T | 38.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.4 | 168.7 | 41.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 53 | G | 28.4 | Very low | 30.8 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -155.4 | 118.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 54 | E | 34.9 | Very low | 30.6 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -66.8 | 153.5 | 165.3 | -61.7 | -178.7 | 137.6 | 0 | 0 | 110.2 | ||||
| 55 | P | 32.2 | Very low | 30.4 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -140.2 | 121.4 | 127.8 | 31.9 | -16.8 | 0 | 0 | 0 | 114.1 | |||||
| 56 | L | 27.9 | Very low | 30.4 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | 27.5 | 115.7 | 127.6 | -63.7 | 170.2 | 0 | 0 | 0 | 119.4 | |||||
| 57 | L | 35.6 | Very low | 30.7 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | 34.3 | 106.2 | 136 | -64.7 | 172.8 | 0 | 0 | 0 | 118.8 | ||||
| 58 | A | 25.7 | Very low | 30.5 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -133.4 | 118.6 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 59 | N | 29.1 | Very low | 30.9 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -70.4 | 131.1 | 166 | -90 | -9.3 | 0 | 0 | 0 | 108.7 | ||||
| 60 | D | 26.5 | Very low | 31.4 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | -162.5 | 151 | 122.9 | -103.4 | -24.5 | 0 | 0 | 0 | 111.7 | A62 | D60-A62 PolarHBondContact O-N 2.98Š| |||
| 61 | S | 30.3 | Very low | 32.2 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -59 | 117.3 | -164.1 | 54.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 62 | A | 25.7 | Very low | 33.3 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -104.4 | 140 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | D60 T64 | D60-A62 PolarHBondContact O-N 2.98Å; A62-T64 PolarHBondContact O-N 3.49Å | ||
| 63 | P | 30.4 | Very low | 34.2 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 84% | 0.844 | 73% | 0.734 | S | S | * | * | trans | -69.5 | 124.7 | -179.2 | 28 | -33.2 | 0 | 0 | 0 | 110.3 | G65 | P63-G65 PolarHBondContact O-N 3.39Š| ||
| 64 | T | 29.4 | Very low | 35.9 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | -67.8 | 78.9 | 175.8 | -41.1 | 0 | 0 | 0 | 0 | 110.4 | A62 A66 | A62-T64 PolarHBondContact O-N 3.49Å; T64-A66 PolarHBondContact O-N 3.46Å | ||
| 65 | G | 29.8 | Very low | 36.9 | Very low | 65 Ų | 65 | 118.8 Ų | 118.8 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | trans | -69.8 | 105 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | P63 E67 | P63-G65 PolarHBondContact O-N 3.39Å; G65-E67 PolarHBondContact O-N 2.99Å | ||
| 66 | A | 30.2 | Very low | 37.7 | Very low | 91 Ų | 91 | 117.8 Ų | 117.8 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | trans | -61.2 | 104.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | T64 E68 | T64-A66 PolarHBondContact O-N 3.46Å; A66-E68 PolarHBondContact O-N 2.98Å; A66-E68 VanDerWaalsContact O-N 3.14Å | ||
| 67 | E | 35.5 | Very low | 38.6 | Very low | 172 Ų | 172 | 117 Ų | 117 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -71.5 | 101.1 | 161.6 | -70.4 | -168.1 | 144.5 | 0 | 0 | 106.9 | G65 V69 | G65-E67 PolarHBondContact O-N 2.99Å; E67-V69 HydrophobicContact CB-CG2 3.85Å; E67-V69 PolarHBondContact O-N 3.1Å | ||
| 68 | E | 29.8 | Very low | 38.8 | Very low | 189 Ų | 189 | 115.2 Ų | 115.2 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | trans | -63.6 | 84.4 | 158.4 | -71.5 | -175.5 | 147.6 | 0 | 0 | 107.8 | A66 Q70 | A66-E68 PolarHBondContact O-N 2.98Å; A66-E68 VanDerWaalsContact O-N 3.14Å; E68-Q70 PolarHBondContact O-N 3.41Å | ||
| 69 | V | 38.1 | Very low | 39.4 | Very low | 111 Ų | 111 | 117 Ų | 117 | 67% | 0.673 | 68% | 0.68 | S | S | * | * | trans | -74.7 | 81.5 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 108 | E67 D71 | E67-V69 HydrophobicContact CB-CG2 3.85Å; E67-V69 PolarHBondContact O-N 3.1Å; V69-D71 PolarHBondContact O-N 2.89Å; V69-D71 VanDerWaalsContact O-N 3.13Å | ||
| 70 | Q | 40.3 | Very low | 39.7 | Very low | 141 Ų | 141 | 114.2 Ų | 114.2 | 66% | 0.659 | 68% | 0.679 | S | S | * | * | trans | -66.1 | 108.2 | 166.7 | -171.6 | 170 | -17.1 | 0 | 0 | 108.4 | E68 D72 | E68-Q70 PolarHBondContact O-N 3.41Å; Q70-D72 PolarHBondContact NE2-OD2 3.45Å; Q70-D72 PolarHBondContact O-N 3.05Å | ||
| 71 | D | 45.7 | Very low | 40.2 | Very low | 127 Ų | 127 | 114.6 Ų | 114.6 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | trans | -78.5 | 64 | -172.2 | -166.3 | 17.8 | 0 | 0 | 0 | 112.6 | V69 N73 | V69-D71 PolarHBondContact O-N 2.89Å; V69-D71 VanDerWaalsContact O-N 3.13Å; D71-N73 PolarHBondContact O-N 3.26Å | ||
| 72 | D | 54.3 | Low | 40.4 | Very low | 40 Ų | 40 | 115.5 Ų | 115.5 | 21% | 0.214 | 68% | 0.68 | C | S | . | * | trans | -77.3 | 60.3 | 176.1 | -79.9 | -48.5 | 0 | 0 | 0 | 111.4 | Q70 W74 Q408 | Q70-D72 PolarHBondContact NE2-OD2 3.45Å; Q70-D72 PolarHBondContact O-N 3.05Å; D72-W74 VanDerWaalsContact C-CD1 3.49Å; D72-W74 VanDerWaalsContact C-N 3.35Å; D72-W74 PolarHBondContact O-N 3.2Å; D72-W74 PolarHBondContact OD1-NE1 3.47Å; D72-Q408 PolarHBondContact O-NE2 3.08Å | ||
| 73 | N | 59.2 | Low | 41.3 | Very low | 49 Ų | 49 | 115 Ų | 115 | 26% | 0.262 | 68% | 0.683 | S | S | . | * | trans | -93.2 | 36.6 | -177 | -148.6 | 10.4 | 0 | 0 | 0 | 115.6 | D71 G75 E76 Q408 R412 | D71-N73 PolarHBondContact O-N 3.26Å; N73-G75 PolarHBondContact O-N 2.95Å; N73-E76 PolarHBondContact ND2-OE2 2.85Å; N73-E76 PolarHBondContact O-N 2.89Å; N73-E76 WeakPolarHBondContact OD1-CB 3.37Å; N73-E76 WeakPolarHBondContact OD1-CG 3.48Å; N73-E76 PolarHBondContact OD1-OE2 2.83Å; N73-Q408 PolarHBondContact OD1-NE2 2.65Å; N73-R412 PolarHBondContact OD1-NH2 3.23Å | ||
| 74 | W | 63.3 | Low | 41.2 | Very low | 160 Ų | 160 | 115.2 Ų | 115.2 | 61% | 0.606 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 11.5 | -178.5 | -48.4 | 93.6 | 0 | 0 | 0 | 117 | D72 M422 | D72-W74 VanDerWaalsContact C-CD1 3.49Å; D72-W74 VanDerWaalsContact C-N 3.35Å; D72-W74 PolarHBondContact O-N 3.2Å; D72-W74 PolarHBondContact OD1-NE1 3.47Å; W74-M422 HydrophobicContact CB-SD 3.84Å; W74-M422 HydrophobicContact CD2-CB 4.17Å; W74-M422 HydrophobicContact CD2-SD 3.54Å; W74-M422 VanDerWaalsContact CD2-SD 3.54Å; W74-M422 HydrophobicContact CE3-SD 3.38Å; W74-M422 HydrophobicContact CG-CB 4.18Å; W74-M422 HydrophobicContact CG-SD 3.75Å; W74-M422 HydrophobicContact CZ3-SD 4.14Å |
| 75 | G | 56.8 | Low | 41.9 | Very low | 25 Ų | 25 | 113.9 Ų | 113.9 | 26% | 0.258 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.8 | 8.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N73 | N73-G75 PolarHBondContact O-N 2.95Š|
| 76 | E | 47.9 | Very low | 42 | Very low | 96 Ų | 96 | 119.1 Ų | 119.1 | 45% | 0.449 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -129.4 | 112.2 | 176.5 | -63.9 | 173.5 | -176.7 | 0 | 0 | 108.7 | N73 R412 | N73-E76 PolarHBondContact ND2-OE2 2.85Å; N73-E76 PolarHBondContact O-N 2.89Å; N73-E76 WeakPolarHBondContact OD1-CB 3.37Å; N73-E76 WeakPolarHBondContact OD1-CG 3.48Å; N73-E76 PolarHBondContact OD1-OE2 2.83Å; E76-R412 IonicContact OE1-CZ 3.76Å; E76-R412 IonicContact OE1-NH1 2.69Å; E76-R412 PolarHBondContact OE1-NH1 3.43Å; E76-R412 IonicContact OE2-NH1 3.22Å |
| 77 | T | 47.1 | Very low | 42.2 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | trans | -74.6 | 134.1 | 178.2 | 37.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 78 | T | 40.4 | Very low | 42.2 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 69% | 0.692 | S | S | * | * | trans | 83.3 | 94.5 | 162.3 | -43.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 79 | T | 38.8 | Very low | 42.8 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 84% | 0.84 | 68% | 0.682 | S | S | * | * | -167.7 | 141.1 | 111.5 | 28.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 80 | A | 34.8 | Very low | 42.9 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 79% | 0.793 | 67% | 0.665 | S | S | * | * | trans | 29.1 | 117 | 159.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 81 | I | 36.6 | Very low | 43 | Very low | 169 Ų | 169 | 117 Ų | 117 | 87% | 0.867 | 67% | 0.672 | S | S | * | * | trans | -81 | 125.6 | 162.4 | -62.7 | 164.9 | 0 | 0 | 0 | 109.5 | ||||
| 82 | T | 33.5 | Very low | 43.3 | Very low | 137 Ų | 137 | 117.7 Ų | 117.7 | 84% | 0.84 | 67% | 0.671 | S | S | * | * | trans | -133.7 | 110.5 | 155 | 37.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 83 | G | 44.9 | Very low | 43.1 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | trans | -87.8 | 134.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 84 | T | 29.6 | Very low | 42.9 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 83% | 0.828 | 69% | 0.69 | S | S | * | * | trans | -139.3 | 134.4 | 156.4 | 44.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 85 | S | 44.2 | Very low | 42.3 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -106.7 | 118.5 | -176.8 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 86 | E | 31.1 | Very low | 42.2 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -136.3 | 102.3 | 172 | -66.7 | -167.2 | -173.9 | 0 | 0 | 111.2 | ||||
| 87 | H | 33.5 | Very low | 42.4 | Very low | 201 Ų | 201 | 122.2 Ų | 122.2 | 93% | 0.931 | 70% | 0.699 | S | S | * | * | trans | -82.8 | 112.5 | 158.1 | -94.2 | -40.8 | 0 | 0 | 0 | 108.1 | ||||
| 88 | S | 36.1 | Very low | 42.6 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | trans | -121.7 | 102.9 | 166.5 | 52.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 89 | I | 42.6 | Very low | 43.1 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 68% | 0.677 | 67% | 0.672 | S | S | * | * | trans | -83.5 | 128.1 | 167.1 | -64.9 | 175 | 0 | 0 | 0 | 107 | I94 | I89-I94 HydrophobicContact CG2-CG1 4.27Š| ||
| 90 | S | 40.5 | Very low | 43.6 | Very low | 44 Ų | 44 | 116.1 Ų | 116.1 | 31% | 0.308 | 65% | 0.65 | S | S | . | * | trans | -70.6 | 146.6 | -175.7 | 87.6 | 0 | 0 | 0 | 0 | 111.8 | E92 D93 I94 | S90-E92 PolarHBondContact O-N 3.28Å; S90-E92 PolarHBondContact OG-N 3.07Å; S90-D93 PolarHBondContact O-N 3.4Å; S90-D93 PolarHBondContact OG-N 3.45Å; S90-D93 PolarHBondContact OG-OD2 3.39Å; S90-I94 PolarHBondContact O-N 3.32Å | ||
| 91 | Q | 42.5 | Very low | 44.2 | Very low | 173 Ų | 173 | 117.1 Ų | 117.1 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64 | -21.5 | 176.5 | -167.8 | 174.4 | 0.7 | 0 | 0 | 112.2 | A95 | Q91-A95 PolarHBondContact O-N 2.92Å |
| 92 | E | 51.5 | Low | 44.6 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 66% | 0.659 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.7 | -32.2 | 178.8 | -67.9 | 160.3 | -172 | 0 | 0 | 112.1 | S90 R96 | S90-E92 PolarHBondContact O-N 3.28Å; S90-E92 PolarHBondContact OG-N 3.07Å; E92-R96 WeakPolarHBondContact O-CG 3.33Å; E92-R96 PolarHBondContact O-N 3.29Å |
| 93 | D | 49.6 | Very low | 45.5 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 35% | 0.353 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.2 | -39.5 | 173.7 | -62.4 | -48.5 | 0 | 0 | 0 | 111.2 | S90 A95 R96 I97 | S90-D93 PolarHBondContact O-N 3.4Å; S90-D93 PolarHBondContact OG-N 3.45Å; S90-D93 PolarHBondContact OG-OD2 3.39Å; D93-A95 VanDerWaalsContact C-N 3.31Å; D93-A95 PolarHBondContact O-N 3.45Å; D93-R96 PolarHBondContact O-N 3.27Å; D93-R96 IonicContact OD1-NH1 3.36Å; D93-R96 PolarHBondContact OD1-NH1 3.45Å; D93-I97 WeakPolarHBondContact O-CD1 3.44Å; D93-I97 VanDerWaalsContact O-CG1 3.23Å; D93-I97 WeakPolarHBondContact O-CG1 3.27Å; D93-I97 PolarHBondContact O-N 3.3Å |
| 94 | I | 54.7 | Low | 45.9 | Very low | 100 Ų | 100 | 114.3 Ų | 114.3 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61 | -41.1 | 174.4 | -59.7 | 173.8 | 0 | 0 | 0 | 110.8 | I89 S90 R96 I97 S98 | I89-I94 HydrophobicContact CG2-CG1 4.27Å; S90-I94 PolarHBondContact O-N 3.32Å; I94-R96 PolarHBondContact O-N 3.47Å; I94-I97 PolarHBondContact O-N 2.89Å; I94-S98 PolarHBondContact O-N 3.35Å |
| 95 | A | 51.8 | Low | 46.8 | Very low | 63 Ų | 63 | 113.1 Ų | 113.1 | 52% | 0.521 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.8 | -33.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q91 D93 K99 | Q91-A95 PolarHBondContact O-N 2.92Å; D93-A95 VanDerWaalsContact C-N 3.31Å; D93-A95 PolarHBondContact O-N 3.45Å; A95-K99 PolarHBondContact O-N 2.93Å |
| 96 | R | 54.3 | Low | 46.7 | Very low | 155 Ų | 155 | 110 Ų | 110 | 59% | 0.585 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.2 | -49.3 | 171.7 | -72 | 175.5 | -177.5 | 138.4 | 2.8 | 111.3 | E92 D93 I94 S98 K99 D100 | E92-R96 WeakPolarHBondContact O-CG 3.33Å; E92-R96 PolarHBondContact O-N 3.29Å; D93-R96 PolarHBondContact O-N 3.27Å; D93-R96 IonicContact OD1-NH1 3.36Å; D93-R96 PolarHBondContact OD1-NH1 3.45Å; I94-R96 PolarHBondContact O-N 3.47Å; R96-S98 VanDerWaalsContact C-N 3.3Å; R96-S98 PolarHBondContact O-N 3.01Å; R96-K99 PolarHBondContact O-N 3.33Å; R96-D100 PolarHBondContact O-N 2.94Å |
| 97 | I | 53.1 | Low | 47.6 | Very low | 81 Ų | 81 | 107 Ų | 107 | 42% | 0.415 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -56 | -43.8 | 178.9 | -68.5 | 162.7 | 0 | 0 | 0 | 111.3 | D93 I94 K99 M101 W460 | D93-I97 WeakPolarHBondContact O-CD1 3.44Å; D93-I97 VanDerWaalsContact O-CG1 3.23Å; D93-I97 WeakPolarHBondContact O-CG1 3.27Å; D93-I97 PolarHBondContact O-N 3.3Å; I94-I97 PolarHBondContact O-N 2.89Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 3.42Å; I97-M101 WeakPolarHBondContact O-CB 3.38Å; I97-M101 PolarHBondContact O-N 3.05Å; I97-M101 VanDerWaalsContact O-N 3.09Å; I97-W460 HydrophobicContact CG1-CH2 4.33Å |
| 98 | S | 49.9 | Very low | 48.5 | Very low | 59 Ų | 59 | 100.4 Ų | 100.4 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 177.3 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | I94 R96 E102 | I94-S98 PolarHBondContact O-N 3.35Å; R96-S98 VanDerWaalsContact C-N 3.3Å; R96-S98 PolarHBondContact O-N 3.01Å; S98-E102 PolarHBondContact O-N 3.35Å |
| 99 | K | 50.8 | Low | 49.3 | Very low | 145 Ų | 145 | 100.1 Ų | 100.1 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.4 | -40 | -177.6 | -174.3 | 163.8 | -176.8 | 156.7 | 0 | 112.5 | A95 R96 I97 M101 E102 D103 | A95-K99 PolarHBondContact O-N 2.93Å; R96-K99 PolarHBondContact O-N 3.33Å; I97-K99 VanDerWaalsContact C-N 3.29Å; I97-K99 PolarHBondContact O-N 3.42Å; K99-M101 PolarHBondContact O-N 3.46Å; K99-E102 PolarHBondContact O-N 3.03Å; K99-D103 PolarHBondContact O-N 3.45Å |
| 100 | D | 50.9 | Low | 50 | Low | 69 Ų | 69 | 101.7 Ų | 101.7 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.6 | -26.1 | 173.6 | -70.1 | -47 | 0 | 0 | 0 | 112 | R96 S104 | R96-D100 PolarHBondContact O-N 2.94Å; D100-S104 WeakPolarHBondContact O-CB 3.5Å; D100-S104 PolarHBondContact O-N 3.06Å; D100-S104 PolarHBondContact O-OG 2.95Å |
| 101 | M | 46.9 | Very low | 51 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.8 | -33.2 | 174.5 | -169.2 | 159.5 | 58.9 | 0 | 0 | 113.4 | I97 K99 S104 V105 | I97-M101 WeakPolarHBondContact O-CB 3.38Å; I97-M101 PolarHBondContact O-N 3.05Å; I97-M101 VanDerWaalsContact O-N 3.09Å; K99-M101 PolarHBondContact O-N 3.46Å; M101-S104 WeakPolarHBondContact CA-OG 3.39Å; M101-S104 PolarHBondContact O-OG 3.32Å; M101-S104 VanDerWaalsContact O-OG 3.08Å; M101-V105 WeakPolarHBondContact O-CG2 3.34Å |
| 102 | E | 45.2 | Very low | 52.1 | Low | 148 Ų | 148 | 103.7 Ų | 103.7 | 69% | 0.692 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.7 | -41.1 | 174 | -71.2 | -174.9 | 136 | 0 | 0 | 112.2 | S98 K99 S104 | S98-E102 PolarHBondContact O-N 3.35Å; K99-E102 PolarHBondContact O-N 3.03Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.17Å |
| 103 | D | 52.4 | Low | 53 | Low | 112 Ų | 112 | 102 Ų | 102 | 60% | 0.599 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.9 | -29.1 | 178.4 | -91.3 | -17.4 | 0 | 0 | 0 | 113 | K99 | K99-D103 PolarHBondContact O-N 3.45Å |
| 104 | S | 52.5 | Low | 54.1 | Low | 58 Ų | 58 | 100.8 Ų | 100.8 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.9 | -39.9 | -179.7 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | D100 M101 E102 G106 L107 | D100-S104 WeakPolarHBondContact O-CB 3.5Å; D100-S104 PolarHBondContact O-N 3.06Å; D100-S104 PolarHBondContact O-OG 2.95Å; M101-S104 WeakPolarHBondContact CA-OG 3.39Å; M101-S104 PolarHBondContact O-OG 3.32Å; M101-S104 VanDerWaalsContact O-OG 3.08Å; E102-S104 VanDerWaalsContact C-N 3.31Å; E102-S104 PolarHBondContact O-N 3.17Å; S104-G106 VanDerWaalsContact C-N 3.27Å; S104-G106 PolarHBondContact O-N 3.04Å; S104-L107 PolarHBondContact O-N 2.76Å; S104-L107 VanDerWaalsContact O-N 3.17Å |
| 105 | V | 48.3 | Very low | 55.1 | Low | 110 Ų | 110 | 101 Ų | 101 | 67% | 0.667 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -32.8 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 112 | M101 L107 | M101-V105 WeakPolarHBondContact O-CG2 3.34Å; V105-L107 VanDerWaalsContact C-N 3.3Å; V105-L107 PolarHBondContact O-N 2.84Å |
| 106 | G | 43.4 | Very low | 56.4 | Low | 53 Ų | 53 | 101.7 Ų | 101.7 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.7 | -18.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S104 | S104-G106 VanDerWaalsContact C-N 3.27Å; S104-G106 PolarHBondContact O-N 3.04Å |
| 107 | L | 49.6 | Very low | 57.7 | Low | 112 Ų | 112 | 98.1 Ų | 98.1 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -93.3 | -33.2 | -175.2 | -72.7 | 168.8 | 0 | 0 | 0 | 113.4 | S104 V105 C109 K110 R111 | S104-L107 PolarHBondContact O-N 2.76Å; S104-L107 VanDerWaalsContact O-N 3.17Å; V105-L107 VanDerWaalsContact C-N 3.3Å; V105-L107 PolarHBondContact O-N 2.84Å; L107-C109 PolarHBondContact O-N 3.17Å; L107-K110 PolarHBondContact O-N 3.39Å; L107-R111 PolarHBondContact O-N 3.03Å |
| 108 | D | 51.5 | Low | 59.1 | Low | 61 Ų | 61 | 95.2 Ų | 95.2 | 33% | 0.326 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -33.2 | -175 | -89.4 | -35.3 | 0 | 0 | 0 | 113.4 | K110 R111 Y112 | D108-K110 VanDerWaalsContact C-N 3.29Å; D108-K110 PolarHBondContact O-N 3.3Å; D108-R111 VanDerWaalsContact O-CB 3.31Å; D108-R111 WeakPolarHBondContact O-CB 3.34Å; D108-R111 PolarHBondContact O-N 3.28Å; D108-R111 WeakPolarHBondContact OD1-CD 3.23Å; D108-R111 IonicContact OD1-CZ 2.68Å; D108-R111 IonicContact OD1-NE 3.32Å; D108-R111 IonicContact OD1-NH1 3.26Å; D108-R111 PolarHBondContact OD1-NH1 3.38Å; D108-Y112 HydrophobicContact CB-CD2 4.45Å; D108-Y112 HydrophobicContact CB-CE2 4.2Å; D108-Y112 WeakPolarHBondContact O-CD2 3.48Å; D108-Y112 PolarHBondContact O-N 3.49Å |
| 109 | C | 53.1 | Low | 60.7 | Low | 103 Ų | 103 | 94.5 Ų | 94.5 | 70% | 0.696 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -38.3 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | L107 L113 | L107-C109 PolarHBondContact O-N 3.17Å; C109-L113 PolarHBondContact O-N 3.49Å |
| 110 | K | 58 | Low | 62.4 | Low | 165 Ų | 165 | 94 Ų | 94 | 72% | 0.717 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.7 | -29.7 | 174.8 | -71 | 177 | 179.4 | 168.9 | 0 | 112.8 | L107 D108 | L107-K110 PolarHBondContact O-N 3.39Å; D108-K110 VanDerWaalsContact C-N 3.29Å; D108-K110 PolarHBondContact O-N 3.3Å |
| 111 | R | 61.1 | Low | 64.2 | Low | 122 Ų | 122 | 91.3 Ų | 91.3 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -46.7 | 177.8 | -175.5 | -172.4 | 178.3 | -157.6 | -0.8 | 111.4 | L107 D108 L113 G114 D180 | L107-R111 PolarHBondContact O-N 3.03Å; D108-R111 VanDerWaalsContact O-CB 3.31Å; D108-R111 WeakPolarHBondContact O-CB 3.34Å; D108-R111 PolarHBondContact O-N 3.28Å; D108-R111 WeakPolarHBondContact OD1-CD 3.23Å; D108-R111 IonicContact OD1-CZ 2.68Å; D108-R111 IonicContact OD1-NE 3.32Å; D108-R111 IonicContact OD1-NH1 3.26Å; D108-R111 PolarHBondContact OD1-NH1 3.38Å; R111-L113 PolarHBondContact O-N 3.29Å; R111-G114 PolarHBondContact O-N 3.08Å; R111-D180 IonicContact CZ-OD1 2.85Å; R111-D180 IonicContact CZ-OD2 3.05Å; R111-D180 IonicContact NE-OD1 3.34Å; R111-D180 PolarHBondContact NE-OD1 3.28Å; R111-D180 IonicContact NE-OD2 2.66Å; R111-D180 IonicContact NH2-OD1 2.69Å; R111-D180 PolarHBondContact NH2-OD1 3.35Å; R111-D180 IonicContact NH2-OD2 3.77Å; R111-D180 PolarHBondContact NH2-OD2 2.89Å |
| 112 | Y | 65.8 | Low | 66.1 | Low | 137 Ų | 137 | 87.4 Ų | 87.4 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 174.9 | -72.3 | -70 | 0 | 0 | 0 | 112.3 | D108 G114 L115 T116 | D108-Y112 HydrophobicContact CB-CD2 4.45Å; D108-Y112 HydrophobicContact CB-CE2 4.2Å; D108-Y112 WeakPolarHBondContact O-CD2 3.48Å; D108-Y112 PolarHBondContact O-N 3.49Å; Y112-G114 VanDerWaalsContact C-N 3.31Å; Y112-G114 PolarHBondContact O-N 2.83Å; Y112-L115 PolarHBondContact O-N 2.95Å; Y112-L115 VanDerWaalsContact O-N 3.09Å; Y112-T116 WeakPolarHBondContact O-CG2 3.41Å; Y112-T116 PolarHBondContact O-N 2.95Å; Y112-T116 PolarHBondContact O-OG1 3.29Å |
| 113 | L | 70.8 | Confident | 68.2 | Low | 107 Ų | 107 | 85.1 Ų | 85.1 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.6 | -41.8 | 179.1 | -174.2 | 67.3 | 0 | 0 | 0 | 113.3 | C109 R111 T116 V117 | C109-L113 PolarHBondContact O-N 3.49Å; R111-L113 PolarHBondContact O-N 3.29Å; L113-T116 WeakPolarHBondContact CA-OG1 3.37Å; L113-T116 PolarHBondContact O-OG1 2.99Å; L113-T116 VanDerWaalsContact O-OG1 3.14Å; L113-V117 HydrophobicContact CD1-CG2 4.38Å; L113-V117 WeakPolarHBondContact O-CB 3.3Å; L113-V117 VanDerWaalsContact O-CG2 3.25Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 3.1Å; L113-V117 VanDerWaalsContact O-N 3.08Å |
| 114 | G | 72.8 | Confident | 70 | Confident | 39 Ų | 39 | 82.4 Ų | 82.4 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | R111 Y112 A118 | R111-G114 PolarHBondContact O-N 3.08Å; Y112-G114 VanDerWaalsContact C-N 3.31Å; Y112-G114 PolarHBondContact O-N 2.83Å; G114-A118 WeakPolarHBondContact O-CB 3.46Å; G114-A118 PolarHBondContact O-N 3.14Å |
| 115 | L | 75.4 | Confident | 71.8 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 55% | 0.55 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.5 | -42.3 | 178.3 | -177.4 | 62.8 | 0 | 0 | 0 | 111.9 | Y112 A118 A119 | Y112-L115 PolarHBondContact O-N 2.95Å; Y112-L115 VanDerWaalsContact O-N 3.09Å; L115-A118 PolarHBondContact O-N 2.85Å; L115-A119 VanDerWaalsContact O-CB 3.28Å; L115-A119 WeakPolarHBondContact O-CB 3.37Å; L115-A119 PolarHBondContact O-N 3.42Å |
| 116 | T | 79.2 | Confident | 73.9 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 179.2 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | Y112 L113 A119 F120 | Y112-T116 WeakPolarHBondContact O-CG2 3.41Å; Y112-T116 PolarHBondContact O-N 2.95Å; Y112-T116 PolarHBondContact O-OG1 3.29Å; L113-T116 WeakPolarHBondContact CA-OG1 3.37Å; L113-T116 PolarHBondContact O-OG1 2.99Å; L113-T116 VanDerWaalsContact O-OG1 3.14Å; T116-A119 PolarHBondContact O-N 3.32Å; T116-F120 VanDerWaalsContact O-CB 3.23Å; T116-F120 WeakPolarHBondContact O-CB 3.4Å; T116-F120 PolarHBondContact O-N 3.49Å |
| 117 | V | 81.6 | Confident | 76.3 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 49% | 0.485 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | L113 L121 | L113-V117 HydrophobicContact CD1-CG2 4.38Å; L113-V117 WeakPolarHBondContact O-CB 3.3Å; L113-V117 VanDerWaalsContact O-CG2 3.25Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 3.1Å; L113-V117 VanDerWaalsContact O-N 3.08Å; V117-L121 WeakPolarHBondContact O-CB 3.33Å; V117-L121 PolarHBondContact O-N 3.41Å |
| 118 | A | 81.8 | Confident | 78.4 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G114 L115 G122 L192 | G114-A118 WeakPolarHBondContact O-CB 3.46Å; G114-A118 PolarHBondContact O-N 3.14Å; L115-A118 PolarHBondContact O-N 2.85Å; A118-G122 PolarHBondContact O-N 3.09Å; A118-L192 HydrophobicContact CB-CD1 4.28Å; A118-L192 HydrophobicContact CB-CD2 4.35Å |
| 119 | A | 83.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L115 T116 G122 L123 | L115-A119 VanDerWaalsContact O-CB 3.28Å; L115-A119 WeakPolarHBondContact O-CB 3.37Å; L115-A119 PolarHBondContact O-N 3.42Å; T116-A119 PolarHBondContact O-N 3.32Å; A119-G122 PolarHBondContact O-N 3.2Å; A119-L123 WeakPolarHBondContact O-CB 3.29Å; A119-L123 PolarHBondContact O-N 2.96Å |
| 120 | F | 87.3 | Confident | 82.3 | Confident | 134 Ų | 134 | 69 Ų | 69 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 176.1 | 179.4 | -105.3 | 0 | 0 | 0 | 111.7 | T116 G122 L123 L124 | T116-F120 VanDerWaalsContact O-CB 3.23Å; T116-F120 WeakPolarHBondContact O-CB 3.4Å; T116-F120 PolarHBondContact O-N 3.49Å; F120-G122 VanDerWaalsContact C-N 3.35Å; F120-G122 PolarHBondContact O-N 3.11Å; F120-L123 WeakPolarHBondContact O-CB 3.21Å; F120-L123 PolarHBondContact O-N 3.19Å; F120-L124 HydrophobicContact CD1-CD1 3.98Å; F120-L124 HydrophobicContact CE1-CD1 3.48Å; F120-L124 VanDerWaalsContact CE1-CD1 3.48Å; F120-L124 HydrophobicContact CE1-CG 4.17Å; F120-L124 HydrophobicContact CZ-CD1 3.9Å; F120-L124 HydrophobicContact CZ-CD2 4.39Å; F120-L124 HydrophobicContact CZ-CG 4.21Å; F120-L124 WeakPolarHBondContact O-CG 3.46Å; F120-L124 PolarHBondContact O-N 3.17Å |
| 121 | L | 87.6 | Confident | 84 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 176.2 | -169.3 | 67 | 0 | 0 | 0 | 111.9 | V117 L124 V125 L192 I195 F196 | V117-L121 WeakPolarHBondContact O-CB 3.33Å; V117-L121 PolarHBondContact O-N 3.41Å; L121-L124 PolarHBondContact O-N 2.93Å; L121-V125 WeakPolarHBondContact O-CB 3.36Å; L121-V125 VanDerWaalsContact O-CG2 3.25Å; L121-V125 WeakPolarHBondContact O-CG2 3.47Å; L121-V125 PolarHBondContact O-N 3.19Å; L121-L192 HydrophobicContact CD2-CB 4.15Å; L121-L192 HydrophobicContact CD2-CD2 3.84Å; L121-L192 VanDerWaalsContact CD2-O 3.3Å; L121-L192 WeakPolarHBondContact CD2-O 3.34Å; L121-I195 HydrophobicContact CD1-CG2 4.38Å; L121-I195 HydrophobicContact CD2-CB 4.18Å; L121-I195 HydrophobicContact CD2-CG2 3.82Å; L121-I195 HydrophobicContact CG-CG2 3.96Å; L121-F196 HydrophobicContact CD1-CB 4.16Å; L121-F196 HydrophobicContact CD1-CD2 4.13Å; L121-F196 HydrophobicContact CD2-CB 4.31Å |
| 122 | G | 87.1 | Confident | 85.5 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A118 A119 F120 V125 F126 | A118-G122 PolarHBondContact O-N 3.09Å; A119-G122 PolarHBondContact O-N 3.2Å; F120-G122 VanDerWaalsContact C-N 3.35Å; F120-G122 PolarHBondContact O-N 3.11Å; G122-V125 PolarHBondContact O-N 3.49Å; G122-F126 PolarHBondContact O-N 3.32Å |
| 123 | L | 89.1 | Confident | 86.7 | Confident | 101 Ų | 101 | 50.9 Ų | 50.9 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 172.9 | -172.1 | 95.3 | 0 | 0 | 0 | 111 | A119 F120 V125 F126 L127 | A119-L123 WeakPolarHBondContact O-CB 3.29Å; A119-L123 PolarHBondContact O-N 2.96Å; F120-L123 WeakPolarHBondContact O-CB 3.21Å; F120-L123 PolarHBondContact O-N 3.19Å; L123-V125 PolarHBondContact O-N 3Å; L123-F126 PolarHBondContact O-N 3.21Å; L123-L127 HydrophobicContact CD1-CD1 4.45Å; L123-L127 HydrophobicContact CD2-CD1 3.83Å; L123-L127 HydrophobicContact CG-CD1 3.77Å; L123-L127 HydrophobicContact CG-CG 4.37Å; L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.44Å |
| 124 | L | 90.1 | Very high | 87.7 | Confident | 55 Ų | 55 | 50.3 Ų | 50.3 | 29% | 0.288 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56 | -51.8 | 175.7 | -73.8 | 177.5 | 0 | 0 | 0 | 110.8 | F120 L121 F126 L127 T128 | F120-L124 HydrophobicContact CD1-CD1 3.98Å; F120-L124 HydrophobicContact CE1-CD1 3.48Å; F120-L124 VanDerWaalsContact CE1-CD1 3.48Å; F120-L124 HydrophobicContact CE1-CG 4.17Å; F120-L124 HydrophobicContact CZ-CD1 3.9Å; F120-L124 HydrophobicContact CZ-CD2 4.39Å; F120-L124 HydrophobicContact CZ-CG 4.21Å; F120-L124 WeakPolarHBondContact O-CG 3.46Å; F120-L124 PolarHBondContact O-N 3.17Å; L121-L124 PolarHBondContact O-N 2.93Å; L124-F126 PolarHBondContact O-N 3.49Å; L124-F126 VanDerWaalsContact O-N 3.14Å; L124-L127 PolarHBondContact O-N 3.4Å; L124-T128 VanDerWaalsContact O-CG2 3.29Å; L124-T128 WeakPolarHBondContact O-CG2 3.37Å; L124-T128 PolarHBondContact O-N 3Å; L124-T128 PolarHBondContact O-OG1 3.36Å |
| 125 | V | 91.5 | Very high | 88.5 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.1 | -35.3 | 178.9 | 162.8 | 0 | 0 | 0 | 0 | 113.5 | L121 G122 L123 P129 L165 I195 V199 L232 | L121-V125 WeakPolarHBondContact O-CB 3.36Å; L121-V125 VanDerWaalsContact O-CG2 3.25Å; L121-V125 WeakPolarHBondContact O-CG2 3.47Å; L121-V125 PolarHBondContact O-N 3.19Å; G122-V125 PolarHBondContact O-N 3.49Å; L123-V125 PolarHBondContact O-N 3Å; V125-P129 WeakPolarHBondContact O-CD 3.17Å; V125-L165 HydrophobicContact CG1-CD2 3.97Å; V125-I195 HydrophobicContact CG2-CG2 3.29Å; V125-V199 HydrophobicContact CG2-CG2 3.96Å; V125-L232 HydrophobicContact CG1-CD1 4.02Å; V125-L232 HydrophobicContact CG1-CD2 3.92Å; V125-L232 HydrophobicContact CG1-CG 4.45Å; V125-L232 HydrophobicContact CG2-CD2 4.15Å |
| 126 | F | 91.6 | Very high | 89.1 | Confident | 67 Ų | 67 | 45.7 Ų | 45.7 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -80.1 | -36.9 | 176.5 | -173.8 | -98.3 | 0 | 0 | 0 | 112.8 | G122 L123 L124 P129 I130 L162 L166 | G122-F126 PolarHBondContact O-N 3.32Å; L123-F126 PolarHBondContact O-N 3.21Å; L124-F126 PolarHBondContact O-N 3.49Å; L124-F126 VanDerWaalsContact O-N 3.14Å; F126-P129 WeakPolarHBondContact O-CD 3.47Å; F126-I130 HydrophobicContact CD1-CD1 4Å; F126-I130 HydrophobicContact CE1-CD1 3.62Å; F126-I130 HydrophobicContact CZ-CD1 4.1Å; F126-I130 WeakPolarHBondContact O-CD1 3.46Å; F126-L162 HydrophobicContact CD2-CD2 4.47Å; F126-L162 HydrophobicContact CE2-CB 4.19Å; F126-L166 HydrophobicContact CD2-CB 4.37Å; F126-L166 HydrophobicContact CD2-CD1 4.29Å; F126-L166 HydrophobicContact CE2-CB 4.05Å; F126-L166 HydrophobicContact CE2-CD1 4.28Å; F126-L166 HydrophobicContact CE2-CD2 4.28Å; F126-L166 HydrophobicContact CE2-CG 4.44Å; F126-L166 HydrophobicContact CZ-CD2 4.48Å |
| 127 | L | 93.1 | Very high | 89.4 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -79.1 | -28.5 | -178.4 | -68.3 | 177.1 | 0 | 0 | 0 | 113.7 | L123 L124 I130 A131 | L123-L127 HydrophobicContact CD1-CD1 4.45Å; L123-L127 HydrophobicContact CD2-CD1 3.83Å; L123-L127 HydrophobicContact CG-CD1 3.77Å; L123-L127 HydrophobicContact CG-CG 4.37Å; L123-L127 WeakPolarHBondContact O-CB 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.44Å; L124-L127 PolarHBondContact O-N 3.4Å; L127-I130 PolarHBondContact O-N 3.38Å; L127-A131 WeakPolarHBondContact O-CB 3.23Å; L127-A131 PolarHBondContact O-N 3.08Å |
| 128 | T | 94.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | -175.4 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | L124 I130 A131 F132 V199 W203 | L124-T128 VanDerWaalsContact O-CG2 3.29Å; L124-T128 WeakPolarHBondContact O-CG2 3.37Å; L124-T128 PolarHBondContact O-N 3Å; L124-T128 PolarHBondContact O-OG1 3.36Å; T128-I130 VanDerWaalsContact C-N 3.33Å; T128-I130 PolarHBondContact O-N 3.31Å; T128-A131 PolarHBondContact O-N 3.42Å; T128-F132 WeakPolarHBondContact O-CD1 3.26Å; T128-F132 WeakPolarHBondContact O-CG 3.29Å; T128-F132 PolarHBondContact O-N 3.09Å; T128-V199 HydrophobicContact CG2-CG1 3.95Å; T128-W203 HydrophobicContact CG2-CZ2 4.22Å |
| 129 | P | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.4 | -31.4 | 179.4 | -17.2 | 35.2 | 0 | 0 | 0 | 111.6 | V125 F126 F132 I133 L162 L228 V229 L232 | V125-P129 WeakPolarHBondContact O-CD 3.17Å; F126-P129 WeakPolarHBondContact O-CD 3.47Å; P129-F132 PolarHBondContact O-N 3.26Å; P129-I133 WeakPolarHBondContact O-CG1 3.25Å; P129-I133 PolarHBondContact O-N 2.91Å; P129-L162 HydrophobicContact CB-CD2 4.3Å; P129-L162 HydrophobicContact CG-CD2 4.07Å; P129-L228 HydrophobicContact CG-CD2 4.07Å; P129-L228 HydrophobicContact CG-CG 4.39Å; P129-V229 HydrophobicContact CB-CG2 3.47Å; P129-V229 VanDerWaalsContact CB-CG2 3.47Å; P129-V229 HydrophobicContact CG-CG2 3.65Å; P129-L232 HydrophobicContact CG-CD1 4.36Å |
| 130 | I | 93.1 | Very high | 90 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 173.4 | -59.5 | 174 | 0 | 0 | 0 | 109.7 | F126 L127 T128 F132 I133 L134 L162 | F126-I130 HydrophobicContact CD1-CD1 4Å; F126-I130 HydrophobicContact CE1-CD1 3.62Å; F126-I130 HydrophobicContact CZ-CD1 4.1Å; F126-I130 WeakPolarHBondContact O-CD1 3.46Å; L127-I130 PolarHBondContact O-N 3.38Å; T128-I130 VanDerWaalsContact C-N 3.33Å; T128-I130 PolarHBondContact O-N 3.31Å; I130-F132 PolarHBondContact O-N 3.16Å; I130-I133 PolarHBondContact O-N 3.33Å; I130-L134 HydrophobicContact CG2-CD1 3.67Å; I130-L134 HydrophobicContact CG2-CG 4.25Å; I130-L134 WeakPolarHBondContact O-CG 3.17Å; I130-L134 PolarHBondContact O-N 3.18Å; I130-L162 HydrophobicContact CD1-CD1 4.41Å; I130-L162 HydrophobicContact CG1-CD1 3.88Å |
| 131 | A | 92.8 | Very high | 89.6 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 24% | 0.24 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L127 T128 I133 L134 L135 W203 | L127-A131 WeakPolarHBondContact O-CB 3.23Å; L127-A131 PolarHBondContact O-N 3.08Å; T128-A131 PolarHBondContact O-N 3.42Å; A131-I133 PolarHBondContact O-N 3.07Å; A131-L134 PolarHBondContact O-N 2.77Å; A131-L135 WeakPolarHBondContact O-CB 3.41Å; A131-L135 PolarHBondContact O-N 3.14Å; A131-W203 HydrophobicContact CB-CH2 4.33Å; A131-W203 HydrophobicContact CB-CZ2 4.33Å |
| 132 | F | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -27.9 | 178.8 | -72.6 | 3.2 | 0 | 0 | 0 | 113.6 | T128 P129 I130 P136 W203 Y206 I221 Y224 A225 L228 | T128-F132 WeakPolarHBondContact O-CD1 3.26Å; T128-F132 WeakPolarHBondContact O-CG 3.29Å; T128-F132 PolarHBondContact O-N 3.09Å; P129-F132 PolarHBondContact O-N 3.26Å; I130-F132 PolarHBondContact O-N 3.16Å; F132-P136 WeakPolarHBondContact O-CD 3.45Å; F132-W203 HydrophobicContact CD1-CH2 4.42Å; F132-W203 HydrophobicContact CD1-CZ2 4.49Å; F132-W203 AromaticContact CE1-CD2 3.67Å; F132-W203 HydrophobicContact CE1-CD2 3.67Å; F132-W203 AromaticContact CE1-CE2 3.77Å; F132-W203 AromaticContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CG 4.23Å; F132-W203 HydrophobicContact CE1-CH2 4.07Å; F132-W203 AromaticContact CE1-CZ2 3.97Å; F132-W203 HydrophobicContact CE1-CZ2 3.97Å; F132-W203 AromaticContact CE1-CZ3 3.98Å; F132-W203 HydrophobicContact CE1-CZ3 3.98Å; F132-W203 HydrophobicContact CZ-CD2 4.17Å; F132-W203 HydrophobicContact CZ-CG 4.25Å; F132-Y206 HydrophobicContact CB-CD2 4.12Å; F132-Y206 HydrophobicContact CB-CE2 3.65Å; F132-Y206 AromaticContact CD1-CD1 3.83Å; F132-Y206 HydrophobicContact CD1-CD1 3.83Å; F132-Y206 AromaticContact CD1-CD2 3.69Å; F132-Y206 HydrophobicContact CD1-CD2 3.69Å; F132-Y206 AromaticContact CD1-CE1 3.89Å; F132-Y206 HydrophobicContact CD1-CE1 3.89Å; F132-Y206 AromaticContact CD1-CE2 3.79Å; F132-Y206 HydrophobicContact CD1-CE2 3.79Å; F132-Y206 AromaticContact CD1-CG 3.74Å; F132-Y206 HydrophobicContact CD1-CG 3.74Å; F132-Y206 AromaticContact CD1-CZ 3.9Å; F132-Y206 AromaticContact CD2-CD2 3.77Å; F132-Y206 HydrophobicContact CD2-CD2 3.77Å; F132-Y206 HydrophobicContact CD2-CE2 4.21Å; F132-Y206 HydrophobicContact CD2-CG 4.32Å; F132-Y206 AromaticContact CE1-CD1 3.75Å; F132-Y206 HydrophobicContact CE1-CD1 3.75Å; F132-Y206 AromaticContact CE1-CD2 3.97Å; F132-Y206 HydrophobicContact CE1-CD2 3.97Å; F132-Y206 HydrophobicContact CE1-CE1 4.27Å; F132-Y206 HydrophobicContact CE1-CE2 4.49Å; F132-Y206 AromaticContact CE1-CG 3.6Å; F132-Y206 HydrophobicContact CE1-CG 3.6Å; F132-Y206 HydrophobicContact CE2-CD2 4.05Å; F132-Y206 HydrophobicContact CE2-CG 4.2Å; F132-Y206 AromaticContact CG-CD2 3.59Å; F132-Y206 HydrophobicContact CG-CD2 3.59Å; F132-Y206 AromaticContact CG-CE2 3.63Å; F132-Y206 HydrophobicContact CG-CE2 3.63Å; F132-Y206 HydrophobicContact CG-CG 4.11Å; F132-Y206 HydrophobicContact CZ-CD1 4.42Å; F132-Y206 HydrophobicContact CZ-CD2 4.15Å; F132-Y206 AromaticContact CZ-CG 3.85Å; F132-Y206 HydrophobicContact CZ-CG 3.85Å; F132-Y206 PolarHBondContact O-OH 2.84Å; F132-Y206 VanDerWaalsContact O-OH 3.1Å; F132-I221 WeakPolarHBondContact O-CG2 3.5Å; F132-Y224 HydrophobicContact CD2-CD1 4.12Å; F132-Y224 HydrophobicContact CD2-CE1 4.04Å; F132-Y224 HydrophobicContact CE2-CD1 4.27Å; F132-Y224 AromaticContact CE2-CE1 3.71Å; F132-Y224 HydrophobicContact CE2-CE1 3.71Å; F132-A225 HydrophobicContact CB-CB 4.1Å; F132-L228 HydrophobicContact CD2-CD2 3.99Å; F132-L228 HydrophobicContact CE2-CD2 3.64Å; F132-L228 HydrophobicContact CZ-CD2 4.37Å |
| 133 | I | 91.7 | Very high | 88.7 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -85.9 | -41.4 | 178.6 | -65.4 | 170.3 | 0 | 0 | 0 | 111.2 | P129 I130 A131 P137 L155 V158 Y218 A225 | P129-I133 WeakPolarHBondContact O-CG1 3.25Å; P129-I133 PolarHBondContact O-N 2.91Å; I130-I133 PolarHBondContact O-N 3.33Å; A131-I133 PolarHBondContact O-N 3.07Å; I133-P137 WeakPolarHBondContact O-CD 3.38Å; I133-L155 HydrophobicContact CD1-CD2 4.16Å; I133-L155 HydrophobicContact CG2-CD2 3.69Å; I133-V158 HydrophobicContact CD1-CB 4.39Å; I133-V158 HydrophobicContact CD1-CG1 3.87Å; I133-V158 HydrophobicContact CD1-CG2 4.25Å; I133-Y218 VanDerWaalsContact CG2-OH 3.31Å; I133-Y218 WeakPolarHBondContact CG2-OH 3.46Å; I133-A225 HydrophobicContact CD1-CB 4.04Å; I133-A225 HydrophobicContact CG1-CB 3.73Å |
| 134 | L | 91 | Very high | 88.4 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -84.6 | -26.9 | -174.4 | -65 | -178 | 0 | 0 | 0 | 114.5 | I130 A131 P137 I138 | I130-L134 HydrophobicContact CG2-CD1 3.67Å; I130-L134 HydrophobicContact CG2-CG 4.25Å; I130-L134 WeakPolarHBondContact O-CG 3.17Å; I130-L134 PolarHBondContact O-N 3.18Å; A131-L134 PolarHBondContact O-N 2.77Å; L134-P137 VanDerWaalsContact O-CD 3.28Å; L134-P137 WeakPolarHBondContact O-CD 3.5Å; L134-P137 WeakPolarHBondContact O-CG 3.42Å; L134-I138 HydrophobicContact CB-CD1 4.31Å; L134-I138 VanDerWaalsContact O-CD1 3.3Å; L134-I138 WeakPolarHBondContact O-CD1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.42Å; L134-I138 PolarHBondContact O-N 2.99Å |
| 135 | L | 90.2 | Very high | 88.1 | Confident | 48 Ų | 48 | 61 Ų | 61 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.8 | -36.5 | -170.2 | -169.2 | 146.5 | 0 | 0 | 0 | 113.9 | A131 I138 L139 Y206 L211 | A131-L135 WeakPolarHBondContact O-CB 3.41Å; A131-L135 PolarHBondContact O-N 3.14Å; L135-I138 PolarHBondContact O-N 3.41Å; L135-L139 HydrophobicContact CD2-CD1 3.48Å; L135-L139 VanDerWaalsContact CD2-CD1 3.48Å; L135-L139 HydrophobicContact CD2-CG 4.39Å; L135-L139 HydrophobicContact CG-CD1 4.19Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 3.34Å; L135-L139 VanDerWaalsContact O-N 3.14Å; L135-Y206 HydrophobicContact CD2-CE1 4.32Å; L135-L211 HydrophobicContact CD2-CD1 3.99Å; L135-L211 HydrophobicContact CD2-CD2 3.36Å; L135-L211 HydrophobicContact CD2-CG 4.33Å |
| 136 | P | 87.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -50.3 | 173.3 | -23.1 | 36.2 | 0 | 0 | 0 | 114.6 | F132 I138 L139 W140 L144 Y206 I221 | F132-P136 WeakPolarHBondContact O-CD 3.45Å; P136-I138 PolarHBondContact O-N 3.19Å; P136-L139 PolarHBondContact O-N 3.06Å; P136-W140 HydrophobicContact CB-CH2 4.05Å; P136-W140 HydrophobicContact CB-CZ2 3.92Å; P136-W140 PolarHBondContact O-N 3.42Å; P136-L144 HydrophobicContact CB-CD1 4.22Å; P136-L144 HydrophobicContact CB-CD2 4.35Å; P136-Y206 VanDerWaalsContact CD-OH 3.26Å; P136-Y206 WeakPolarHBondContact CD-OH 3.4Å; P136-Y206 VanDerWaalsContact CG-OH 3.25Å; P136-Y206 WeakPolarHBondContact CG-OH 3.43Å; P136-I221 HydrophobicContact CB-CD1 4.01Å; P136-I221 HydrophobicContact CG-CD1 3.87Å; P136-I221 HydrophobicContact CG-CG2 4.11Å |
| 137 | P | 85.7 | Confident | 87.1 | Confident | 38 Ų | 38 | 65.3 Ų | 65.3 | 25% | 0.247 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.5 | -9.9 | 177.4 | 28 | -35.1 | 0 | 0 | 0 | 114.2 | I133 L134 R141 L144 | I133-P137 WeakPolarHBondContact O-CD 3.38Å; L134-P137 VanDerWaalsContact O-CD 3.28Å; L134-P137 WeakPolarHBondContact O-CD 3.5Å; L134-P137 WeakPolarHBondContact O-CG 3.42Å; P137-R141 WeakPolarHBondContact O-CB 3.4Å; P137-L144 HydrophobicContact CB-CD1 4.22Å |
| 138 | I | 88.1 | Confident | 86.8 | Confident | 132 Ų | 132 | 63.5 Ų | 63.5 | 68% | 0.677 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -82.2 | -38.2 | 168 | -70.8 | 167.4 | 0 | 0 | 0 | 111.4 | L134 L135 P136 | L134-I138 HydrophobicContact CB-CD1 4.31Å; L134-I138 VanDerWaalsContact O-CD1 3.3Å; L134-I138 WeakPolarHBondContact O-CD1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.42Å; L134-I138 PolarHBondContact O-N 2.99Å; L135-I138 PolarHBondContact O-N 3.41Å; P136-I138 PolarHBondContact O-N 3.19Å |
| 139 | L | 85.8 | Confident | 86.4 | Confident | 109 Ų | 109 | 67.1 Ų | 67.1 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -89.1 | -37.2 | -173.2 | -69.9 | 176 | 0 | 0 | 0 | 114.8 | L135 P136 L211 | L135-L139 HydrophobicContact CD2-CD1 3.48Å; L135-L139 VanDerWaalsContact CD2-CD1 3.48Å; L135-L139 HydrophobicContact CD2-CG 4.39Å; L135-L139 HydrophobicContact CG-CD1 4.19Å; L135-L139 WeakPolarHBondContact O-CG 3.44Å; L135-L139 PolarHBondContact O-N 3.34Å; L135-L139 VanDerWaalsContact O-N 3.14Å; P136-L139 PolarHBondContact O-N 3.06Å; L139-L211 HydrophobicContact CD1-CD2 4.4Å |
| 140 | W | 86 | Confident | 86.2 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 8% | 0.076 | 40% | 0.395 | C | S | . | . | trans | -148 | 50.7 | -172.8 | 32.8 | -87.5 | 0 | 0 | 0 | 112.5 | P136 E142 E143 L144 R214 D215 I221 | P136-W140 HydrophobicContact CB-CH2 4.05Å; P136-W140 HydrophobicContact CB-CZ2 3.92Å; P136-W140 PolarHBondContact O-N 3.42Å; W140-E142 VanDerWaalsContact C-N 3.3Å; W140-E142 PolarHBondContact O-N 3.36Å; W140-E143 HydrophobicContact CB-CB 4.44Å; W140-E143 HydrophobicContact CE3-CB 4.39Å; W140-E143 PolarHBondContact O-N 3.44Å; W140-L144 HydrophobicContact CE3-CD1 3.96Å; W140-L144 HydrophobicContact CE3-CD2 4.22Å; W140-L144 HydrophobicContact CE3-CG 3.74Å; W140-L144 HydrophobicContact CH2-CD2 4.41Å; W140-L144 HydrophobicContact CZ3-CD1 4.26Å; W140-L144 HydrophobicContact CZ3-CD2 3.71Å; W140-L144 HydrophobicContact CZ3-CG 3.75Å; W140-R214 HydrophobicContact CZ2-CB 4.4Å; W140-D215 WeakPolarHBondContact CH2-O 3.43Å; W140-D215 VanDerWaalsContact CZ3-O 3.27Å; W140-D215 WeakPolarHBondContact CZ3-O 3.05Å; W140-I221 HydrophobicContact CH2-CD1 4.02Å | ||
| 141 | R | 78.3 | Confident | 86 | Confident | 183 Ų | 183 | 70.8 Ų | 70.8 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -47.7 | -44.7 | -176.8 | -162.5 | -179.8 | -135.4 | -153.7 | 1.5 | 114.9 | P137 E143 L144 | P137-R141 WeakPolarHBondContact O-CB 3.4Å; R141-E143 VanDerWaalsContact C-N 3.25Å; R141-E143 PolarHBondContact O-N 2.66Å; R141-L144 PolarHBondContact O-N 3.34Å |
| 142 | E | 78 | Confident | 85.8 | Confident | 177 Ų | 177 | 74.5 Ų | 74.5 | 83% | 0.827 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -73 | -15.2 | -174.9 | -53 | -55.7 | 143.1 | 0 | 0 | 113.4 | W140 | W140-E142 VanDerWaalsContact C-N 3.3Å; W140-E142 PolarHBondContact O-N 3.36Å |
| 143 | E | 78.1 | Confident | 85.7 | Confident | 78 Ų | 78 | 76.4 Ų | 76.4 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -94.8 | -7.3 | 179.9 | -62.5 | 178.7 | -159.2 | 0 | 0 | 112.7 | W140 R141 R214 Q216 | W140-E143 HydrophobicContact CB-CB 4.44Å; W140-E143 HydrophobicContact CE3-CB 4.39Å; W140-E143 PolarHBondContact O-N 3.44Å; R141-E143 VanDerWaalsContact C-N 3.25Å; R141-E143 PolarHBondContact O-N 2.66Å; E143-R214 IonicContact OE1-NH1 3.51Å; E143-R214 IonicContact OE2-NH1 3.88Å; E143-Q216 WeakPolarHBondContact O-CB 3.46Å; E143-Q216 VanDerWaalsContact O-CG 3.23Å; E143-Q216 WeakPolarHBondContact O-CG 3.17Å |
| 144 | L | 82.8 | Confident | 85.7 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -87.6 | 131.9 | -174.8 | -80.3 | 143.5 | 0 | 0 | 0 | 112.8 | P136 P137 W140 R141 Y218 I221 | P136-L144 HydrophobicContact CB-CD1 4.22Å; P136-L144 HydrophobicContact CB-CD2 4.35Å; P137-L144 HydrophobicContact CB-CD1 4.22Å; W140-L144 HydrophobicContact CE3-CD1 3.96Å; W140-L144 HydrophobicContact CE3-CD2 4.22Å; W140-L144 HydrophobicContact CE3-CG 3.74Å; W140-L144 HydrophobicContact CH2-CD2 4.41Å; W140-L144 HydrophobicContact CZ3-CD1 4.26Å; W140-L144 HydrophobicContact CZ3-CD2 3.71Å; W140-L144 HydrophobicContact CZ3-CG 3.75Å; R141-L144 PolarHBondContact O-N 3.34Å; L144-Y218 HydrophobicContact CD2-CD2 3.91Å; L144-Y218 HydrophobicContact CD2-CG 4.3Å; L144-I221 HydrophobicContact CD2-CD1 4.37Å |
| 145 | K | 82.8 | Confident | 85.7 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 141.9 | 172.7 | -65.4 | 172.1 | -169.3 | 162.8 | 0 | 110.8 | Q216 N217 | K145-Q216 PolarHBondContact N-O 2.99Å; K145-Q216 VanDerWaalsContact N-O 3.11Å; K145-N217 PolarHBondContact NZ-OD1 3.23Å |
| 146 | P | 79.4 | Confident | 85.8 | Confident | 130 Ų | 130 | 77.7 Ų | 77.7 | 84% | 0.844 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 139.6 | 179.8 | 24.8 | -33.8 | 0 | 0 | 0 | 112.4 | G148 | P146-G148 PolarHBondContact O-N 3.26Š|
| 147 | C | 83 | Confident | 86.1 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 120 | 175.6 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | C151 E152 Y218 | C147-C151 HydrophobicContact CB-CB 4.11Å; C147-C151 WeakPolarHBondContact CB-SG 3.01Å; C147-C151 WeakPolarHBondContact SG-CB 3.43Å; C147-C151 CovalentContact SG-SG 2.04Å; C147-C151 PolarHBondContact SG-SG 2.9Å; C147-E152 PolarHBondContact SG-N 2.68Å; C147-E152 VanDerWaalsContact SG-N 3.4Å; C147-Y218 HydrophobicContact CB-CD1 3.85Å; C147-Y218 HydrophobicContact CB-CE1 4.13Å |
| 148 | G | 86.9 | Confident | 86.5 | Confident | 45 Ų | 45 | 78 Ų | 78 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 171.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P146 I150 C151 E152 | P146-G148 PolarHBondContact O-N 3.26Å; G148-I150 PolarHBondContact O-N 3.34Å; G148-C151 WeakPolarHBondContact O-CA 3.18Å; G148-C151 VanDerWaalsContact O-CB 3.3Å; G148-C151 WeakPolarHBondContact O-CB 3.38Å; G148-C151 PolarHBondContact O-N 3.12Å; G148-E152 PolarHBondContact O-N 2.83Å; G148-E152 VanDerWaalsContact O-N 3.1Å |
| 149 | A | 87.3 | Confident | 86.7 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 65% | 0.653 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -50.4 | -32.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E152 G153 | A149-E152 PolarHBondContact O-N 2.82Å; A149-G153 PolarHBondContact O-N 2.98Å |
| 150 | I | 88.3 | Confident | 87.1 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 64% | 0.641 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 174.5 | -60.3 | 173.2 | 0 | 0 | 0 | 111.1 | G148 G153 L154 | G148-I150 PolarHBondContact O-N 3.34Å; I150-G153 PolarHBondContact O-N 3.43Å; I150-L154 WeakPolarHBondContact O-CG 3.35Å; I150-L154 PolarHBondContact O-N 3.19Å; I150-L154 VanDerWaalsContact O-N 3.12Å |
| 151 | C | 88.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.02 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 177.7 | 159.5 | 0 | 0 | 0 | 0 | 111.1 | C147 G148 G153 L154 L155 Y218 K219 | C147-C151 HydrophobicContact CB-CB 4.11Å; C147-C151 WeakPolarHBondContact CB-SG 3.01Å; C147-C151 WeakPolarHBondContact SG-CB 3.43Å; C147-C151 CovalentContact SG-SG 2.04Å; C147-C151 PolarHBondContact SG-SG 2.9Å; G148-C151 WeakPolarHBondContact O-CA 3.18Å; G148-C151 VanDerWaalsContact O-CB 3.3Å; G148-C151 WeakPolarHBondContact O-CB 3.38Å; G148-C151 PolarHBondContact O-N 3.12Å; C151-G153 PolarHBondContact O-N 2.83Å; C151-L154 WeakPolarHBondContact O-CB 3.34Å; C151-L154 PolarHBondContact O-N 2.87Å; C151-L155 PolarHBondContact O-N 3.48Å; C151-Y218 VanDerWaalsContact SG-CD1 3.59Å; C151-K219 HydrophobicContact CB-CB 4.31Å; C151-K219 HydrophobicContact CB-CG 4.34Å |
| 152 | E | 89.1 | Confident | 88.2 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 51% | 0.505 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 172.2 | -61.6 | -179.5 | 145.1 | 0 | 0 | 111.7 | C147 G148 A149 L154 L155 I156 | C147-E152 PolarHBondContact SG-N 2.68Å; C147-E152 VanDerWaalsContact SG-N 3.4Å; G148-E152 PolarHBondContact O-N 2.83Å; G148-E152 VanDerWaalsContact O-N 3.1Å; A149-E152 PolarHBondContact O-N 2.82Å; E152-L154 VanDerWaalsContact C-N 3.29Å; E152-L154 PolarHBondContact O-N 3.29Å; E152-L155 WeakPolarHBondContact O-CB 3.22Å; E152-L155 PolarHBondContact O-N 3.39Å; E152-L155 VanDerWaalsContact O-N 3.15Å; E152-I156 WeakPolarHBondContact O-CG1 3.28Å; E152-I156 PolarHBondContact O-N 2.99Å |
| 153 | G | 91.6 | Very high | 88.9 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -36.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A149 I150 C151 S157 | A149-G153 PolarHBondContact O-N 2.98Å; I150-G153 PolarHBondContact O-N 3.43Å; C151-G153 PolarHBondContact O-N 2.83Å; G153-S157 WeakPolarHBondContact O-CB 3.47Å; G153-S157 PolarHBondContact O-N 3.36Å |
| 154 | L | 92 | Very high | 89.6 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 173.5 | -67.9 | 174.5 | 0 | 0 | 0 | 112.2 | I150 C151 E152 I156 S157 V158 V222 Q223 V226 | I150-L154 WeakPolarHBondContact O-CG 3.35Å; I150-L154 PolarHBondContact O-N 3.19Å; I150-L154 VanDerWaalsContact O-N 3.12Å; C151-L154 WeakPolarHBondContact O-CB 3.34Å; C151-L154 PolarHBondContact O-N 2.87Å; E152-L154 VanDerWaalsContact C-N 3.29Å; E152-L154 PolarHBondContact O-N 3.29Å; L154-I156 PolarHBondContact O-N 2.91Å; L154-S157 WeakPolarHBondContact O-CB 3.21Å; L154-S157 PolarHBondContact O-N 2.95Å; L154-S157 VanDerWaalsContact O-N 3.17Å; L154-V158 WeakPolarHBondContact O-CG2 3.49Å; L154-V158 PolarHBondContact O-N 3.27Å; L154-V222 HydrophobicContact CB-CG1 3.65Å; L154-V222 HydrophobicContact CD1-CG1 4.43Å; L154-Q223 HydrophobicContact CD1-CB 4.21Å; L154-V226 HydrophobicContact CB-CG2 4.07Å; L154-V226 HydrophobicContact CD2-CG2 4.15Å |
| 155 | L | 90.8 | Very high | 90 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.2 | -68.4 | 171.4 | 0 | 0 | 0 | 112.3 | I133 C151 E152 S157 V158 S159 Y218 V222 | I133-L155 HydrophobicContact CD1-CD2 4.16Å; I133-L155 HydrophobicContact CG2-CD2 3.69Å; C151-L155 PolarHBondContact O-N 3.48Å; E152-L155 WeakPolarHBondContact O-CB 3.22Å; E152-L155 PolarHBondContact O-N 3.39Å; E152-L155 VanDerWaalsContact O-N 3.15Å; L155-S157 VanDerWaalsContact C-N 3.34Å; L155-V158 PolarHBondContact O-N 3.41Å; L155-S159 PolarHBondContact O-N 2.93Å; L155-S159 PolarHBondContact O-OG 2.87Å; L155-Y218 HydrophobicContact CD1-CE1 4.4Å; L155-V222 HydrophobicContact CD2-CG1 3.88Å; L155-V222 HydrophobicContact CD2-CG2 3.86Å; L155-V222 HydrophobicContact CG-CG1 4.12Å; L155-V222 HydrophobicContact CG-CG2 4.42Å |
| 156 | I | 92.3 | Very high | 90.3 | Very high | 99 Ų | 99 | 63.1 Ų | 63.1 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 172.6 | -65.2 | 166.9 | 0 | 0 | 0 | 109.8 | E152 L154 S159 F160 | E152-I156 WeakPolarHBondContact O-CG1 3.28Å; E152-I156 PolarHBondContact O-N 2.99Å; L154-I156 PolarHBondContact O-N 2.91Å; I156-S159 WeakPolarHBondContact O-CB 3.21Å; I156-S159 PolarHBondContact O-N 3.36Å; I156-F160 HydrophobicContact CG2-CD2 3.85Å; I156-F160 HydrophobicContact CG2-CE2 3.7Å; I156-F160 WeakPolarHBondContact O-CD2 3.3Å; I156-F160 PolarHBondContact O-N 3.29Å; I156-F160 VanDerWaalsContact O-N 3.14Å |
| 157 | S | 93.3 | Very high | 90.8 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 177.1 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | G153 L154 L155 S159 F160 K161 | G153-S157 WeakPolarHBondContact O-CB 3.47Å; G153-S157 PolarHBondContact O-N 3.36Å; L154-S157 WeakPolarHBondContact O-CB 3.21Å; L154-S157 PolarHBondContact O-N 2.95Å; L154-S157 VanDerWaalsContact O-N 3.17Å; L155-S157 VanDerWaalsContact C-N 3.34Å; S157-S159 VanDerWaalsContact C-N 3.31Å; S157-S159 PolarHBondContact O-N 2.94Å; S157-F160 PolarHBondContact O-N 3.38Å; S157-K161 WeakPolarHBondContact O-CB 3.35Å; S157-K161 VanDerWaalsContact O-CG 3.23Å; S157-K161 WeakPolarHBondContact O-CG 3.4Å; S157-K161 PolarHBondContact O-N 2.9Å; S157-K161 VanDerWaalsContact OG-CE 3.31Å; S157-K161 WeakPolarHBondContact OG-CE 3.33Å |
| 158 | V | 93.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 174 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | I133 L154 L155 F160 K161 L162 V226 V229 | I133-V158 HydrophobicContact CD1-CB 4.39Å; I133-V158 HydrophobicContact CD1-CG1 3.87Å; I133-V158 HydrophobicContact CD1-CG2 4.25Å; L154-V158 WeakPolarHBondContact O-CG2 3.49Å; L154-V158 PolarHBondContact O-N 3.27Å; L155-V158 PolarHBondContact O-N 3.41Å; V158-F160 PolarHBondContact O-N 3.22Å; V158-K161 PolarHBondContact O-N 3.03Å; V158-L162 HydrophobicContact CG1-CD1 3.65Å; V158-L162 HydrophobicContact CG1-CG 4.02Å; V158-L162 WeakPolarHBondContact O-CB 3.45Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 3.1Å; V158-V226 HydrophobicContact CG2-CB 4.3Å; V158-V226 HydrophobicContact CG2-CG2 3.39Å; V158-V229 HydrophobicContact CG1-CG2 4.39Å |
| 159 | S | 93.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 59.9 Ų | 59.9 | 54% | 0.538 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | -178 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | L155 I156 S157 L163 | L155-S159 PolarHBondContact O-N 2.93Å; L155-S159 PolarHBondContact O-OG 2.87Å; I156-S159 WeakPolarHBondContact O-CB 3.21Å; I156-S159 PolarHBondContact O-N 3.36Å; S157-S159 VanDerWaalsContact C-N 3.31Å; S157-S159 PolarHBondContact O-N 2.94Å; S159-L163 PolarHBondContact O-N 3.44Å; S159-L163 VanDerWaalsContact O-N 3.12Å |
| 160 | F | 93.9 | Very high | 90.5 | Very high | 134 Ų | 134 | 64.3 Ų | 64.3 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.7 | -40.6 | 175.2 | -77.6 | -70.5 | 0 | 0 | 0 | 112.9 | I156 S157 V158 L163 I164 | I156-F160 HydrophobicContact CG2-CD2 3.85Å; I156-F160 HydrophobicContact CG2-CE2 3.7Å; I156-F160 WeakPolarHBondContact O-CD2 3.3Å; I156-F160 PolarHBondContact O-N 3.29Å; I156-F160 VanDerWaalsContact O-N 3.14Å; S157-F160 PolarHBondContact O-N 3.38Å; V158-F160 PolarHBondContact O-N 3.22Å; F160-L163 WeakPolarHBondContact O-CB 3.35Å; F160-L163 PolarHBondContact O-N 3.33Å; F160-I164 WeakPolarHBondContact O-CG1 3.37Å; F160-I164 PolarHBondContact O-N 3.31Å |
| 161 | K | 94.8 | Very high | 90.1 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.4 | -73.4 | 174.5 | -179.2 | -177.8 | 0 | 112.2 | S157 V158 I164 L165 V229 D230 L233 | S157-K161 WeakPolarHBondContact O-CB 3.35Å; S157-K161 VanDerWaalsContact O-CG 3.23Å; S157-K161 WeakPolarHBondContact O-CG 3.4Å; S157-K161 PolarHBondContact O-N 2.9Å; S157-K161 VanDerWaalsContact OG-CE 3.31Å; S157-K161 WeakPolarHBondContact OG-CE 3.33Å; V158-K161 PolarHBondContact O-N 3.03Å; K161-I164 PolarHBondContact O-N 2.7Å; K161-L165 WeakPolarHBondContact O-CB 3.28Å; K161-L165 PolarHBondContact O-N 2.95Å; K161-V229 HydrophobicContact CB-CG1 3.47Å; K161-V229 VanDerWaalsContact CB-CG1 3.47Å; K161-V229 HydrophobicContact CD-CG1 4.24Å; K161-V229 HydrophobicContact CG-CG1 4.45Å; K161-D230 WeakPolarHBondContact CD-OD1 3.34Å; K161-D230 WeakPolarHBondContact CE-OD1 3.37Å; K161-D230 IonicContact NZ-OD1 3.48Å; K161-D230 PolarHBondContact NZ-OD1 2.77Å; K161-D230 IonicContact NZ-OD2 2.98Å; K161-D230 PolarHBondContact NZ-OD2 3.46Å; K161-L233 HydrophobicContact CB-CD1 3.75Å; K161-L233 HydrophobicContact CD-CD1 4.26Å; K161-L233 HydrophobicContact CG-CD1 3.78Å |
| 162 | L | 92.6 | Very high | 89.3 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 174.1 | -74.2 | 177.2 | 0 | 0 | 0 | 112.3 | F126 P129 I130 V158 L165 L166 V229 | F126-L162 HydrophobicContact CD2-CD2 4.47Å; F126-L162 HydrophobicContact CE2-CB 4.19Å; P129-L162 HydrophobicContact CB-CD2 4.3Å; P129-L162 HydrophobicContact CG-CD2 4.07Å; I130-L162 HydrophobicContact CD1-CD1 4.41Å; I130-L162 HydrophobicContact CG1-CD1 3.88Å; V158-L162 HydrophobicContact CG1-CD1 3.65Å; V158-L162 HydrophobicContact CG1-CG 4.02Å; V158-L162 WeakPolarHBondContact O-CB 3.45Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 3.1Å; L162-L165 PolarHBondContact O-N 3.45Å; L162-L166 WeakPolarHBondContact O-CB 3.19Å; L162-L166 PolarHBondContact O-N 3.18Å; L162-V229 HydrophobicContact CD2-CG1 4.37Å; L162-V229 HydrophobicContact CD2-CG2 4.08Å; L162-V229 HydrophobicContact CG-CG2 4.43Å |
| 163 | L | 92.8 | Very high | 88.3 | Confident | 92 Ų | 92 | 59 Ų | 59 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 173.3 | -174.5 | 78.3 | 0 | 0 | 0 | 111.4 | S159 F160 L166 I167 | S159-L163 PolarHBondContact O-N 3.44Å; S159-L163 VanDerWaalsContact O-N 3.12Å; F160-L163 WeakPolarHBondContact O-CB 3.35Å; F160-L163 PolarHBondContact O-N 3.33Å; L163-L166 PolarHBondContact O-N 2.88Å; L163-I167 HydrophobicContact CG-CD1 4.13Å; L163-I167 WeakPolarHBondContact O-CG1 3.18Å; L163-I167 PolarHBondContact O-N 3.44Å |
| 164 | I | 92.2 | Very high | 87 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 176.7 | -67 | 165.3 | 0 | 0 | 0 | 110.5 | F160 K161 L166 I167 G168 L233 | F160-I164 WeakPolarHBondContact O-CG1 3.37Å; F160-I164 PolarHBondContact O-N 3.31Å; K161-I164 PolarHBondContact O-N 2.7Å; I164-L166 VanDerWaalsContact C-N 3.34Å; I164-L166 PolarHBondContact O-N 2.88Å; I164-I167 PolarHBondContact O-N 3.17Å; I164-G168 PolarHBondContact O-N 3.25Å; I164-L233 HydrophobicContact CG2-CD2 4.02Å |
| 165 | L | 90.8 | Very high | 85.8 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.1 | -38 | 178.2 | -170.8 | 67.1 | 0 | 0 | 0 | 112.1 | V125 K161 L162 T169 L232 L233 H236 | V125-L165 HydrophobicContact CG1-CD2 3.97Å; K161-L165 WeakPolarHBondContact O-CB 3.28Å; K161-L165 PolarHBondContact O-N 2.95Å; L162-L165 PolarHBondContact O-N 3.45Å; L165-T169 HydrophobicContact CD1-CG2 4.4Å; L165-T169 HydrophobicContact CG-CG2 4.47Å; L165-T169 WeakPolarHBondContact O-CB 3.41Å; L165-T169 VanDerWaalsContact O-CG2 3.28Å; L165-T169 WeakPolarHBondContact O-CG2 3.48Å; L165-T169 PolarHBondContact O-N 2.98Å; L165-T169 PolarHBondContact O-OG1 3.37Å; L165-L232 HydrophobicContact CD2-CB 4.05Å; L165-L232 HydrophobicContact CD2-CD1 4.38Å; L165-L233 HydrophobicContact CB-CD2 4.09Å; L165-L233 HydrophobicContact CD1-CD2 4.12Å; L165-H236 HydrophobicContact CD1-CB 3.97Å |
| 166 | L | 89.7 | Confident | 84.2 | Confident | 81 Ų | 81 | 76.3 Ų | 76.3 | 42% | 0.424 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 175.8 | -178.4 | 66 | 0 | 0 | 0 | 111.8 | F126 L162 L163 I164 G168 T169 W170 | F126-L166 HydrophobicContact CD2-CB 4.37Å; F126-L166 HydrophobicContact CD2-CD1 4.29Å; F126-L166 HydrophobicContact CE2-CB 4.05Å; F126-L166 HydrophobicContact CE2-CD1 4.28Å; F126-L166 HydrophobicContact CE2-CD2 4.28Å; F126-L166 HydrophobicContact CE2-CG 4.44Å; F126-L166 HydrophobicContact CZ-CD2 4.48Å; L162-L166 WeakPolarHBondContact O-CB 3.19Å; L162-L166 PolarHBondContact O-N 3.18Å; L163-L166 PolarHBondContact O-N 2.88Å; I164-L166 VanDerWaalsContact C-N 3.34Å; I164-L166 PolarHBondContact O-N 2.88Å; L166-G168 VanDerWaalsContact C-N 3.34Å; L166-G168 PolarHBondContact O-N 3.44Å; L166-T169 PolarHBondContact O-OG1 3.42Å; L166-T169 VanDerWaalsContact O-OG1 3.09Å; L166-W170 WeakPolarHBondContact O-CB 3.33Å; L166-W170 PolarHBondContact O-N 3.39Å |
| 167 | I | 88.9 | Confident | 82.4 | Confident | 101 Ų | 101 | 77.1 Ų | 77.1 | 52% | 0.518 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.6 | -66 | 167.3 | 0 | 0 | 0 | 110.4 | L163 I164 W170 A171 | L163-I167 HydrophobicContact CG-CD1 4.13Å; L163-I167 WeakPolarHBondContact O-CG1 3.18Å; L163-I167 PolarHBondContact O-N 3.44Å; I164-I167 PolarHBondContact O-N 3.17Å; I167-W170 PolarHBondContact O-N 2.89Å; I167-A171 WeakPolarHBondContact O-CB 3.26Å; I167-A171 PolarHBondContact O-N 3.4Å |
| 168 | G | 85.2 | Confident | 80.6 | Confident | 12 Ų | 12 | 85.6 Ų | 85.6 | 12% | 0.124 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | I164 L166 A171 L172 H236 | I164-G168 PolarHBondContact O-N 3.25Å; L166-G168 VanDerWaalsContact C-N 3.34Å; L166-G168 PolarHBondContact O-N 3.44Å; G168-A171 PolarHBondContact O-N 3.44Å; G168-L172 PolarHBondContact O-N 3.04Å; G168-H236 VanDerWaalsContact CA-CE1 3.5Å; G168-H236 WeakPolarHBondContact CA-CE1 3.38Å; G168-H236 VanDerWaalsContact CA-NE2 3.35Å; G168-H236 WeakPolarHBondContact CA-NE2 3.42Å; G168-H236 PolarHBondContact O-CE1 2.87Å; G168-H236 VanDerWaalsContact O-CE1 3.3Å |
| 169 | T | 82.5 | Confident | 78.9 | Confident | 32 Ų | 32 | 87 Ų | 87 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 176.5 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | L165 L166 L172 F173 | L165-T169 HydrophobicContact CD1-CG2 4.4Å; L165-T169 HydrophobicContact CG-CG2 4.47Å; L165-T169 WeakPolarHBondContact O-CB 3.41Å; L165-T169 VanDerWaalsContact O-CG2 3.28Å; L165-T169 WeakPolarHBondContact O-CG2 3.48Å; L165-T169 PolarHBondContact O-N 2.98Å; L165-T169 PolarHBondContact O-OG1 3.37Å; L166-T169 PolarHBondContact O-OG1 3.42Å; L166-T169 VanDerWaalsContact O-OG1 3.09Å; T169-L172 PolarHBondContact O-N 3.47Å; T169-F173 WeakPolarHBondContact O-CB 3.42Å; T169-F173 WeakPolarHBondContact O-CD2 3.41Å; T169-F173 PolarHBondContact O-N 2.87Å |
| 170 | W | 84 | Confident | 77.1 | Confident | 172 Ų | 172 | 88.1 Ų | 88.1 | 65% | 0.652 | 41% | 0.412 | S | S | * | . | I | π-helix | trans | -57.8 | -49.6 | 170.2 | 179.7 | 79.4 | 0 | 0 | 0 | 112 | L166 I167 L172 F174 | L166-W170 WeakPolarHBondContact O-CB 3.33Å; L166-W170 PolarHBondContact O-N 3.39Å; I167-W170 PolarHBondContact O-N 2.89Å; W170-L172 PolarHBondContact O-N 2.83Å; W170-F174 HydrophobicContact CG-CB 4.34Å; W170-F174 WeakPolarHBondContact O-CA 3.15Å; W170-F174 WeakPolarHBondContact O-CB 3.5Å; W170-F174 PolarHBondContact O-N 3.4Å |
| 171 | A | 79.7 | Confident | 75.5 | Confident | 46 Ų | 46 | 84.3 Ų | 84.3 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | I | π-helix | trans | -63.2 | -34.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I167 G168 R175 | I167-A171 WeakPolarHBondContact O-CB 3.26Å; I167-A171 PolarHBondContact O-N 3.4Å; G168-A171 PolarHBondContact O-N 3.44Å; A171-R175 WeakPolarHBondContact O-CB 3.25Å |
| 172 | L | 72.3 | Confident | 73.6 | Confident | 20 Ų | 20 | 88 Ų | 88 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | I | π-helix | trans | -85.9 | -37.8 | 179.7 | -70.6 | -173.7 | 0 | 0 | 0 | 114.4 | G168 T169 W170 H236 A239 I240 E244 | G168-L172 PolarHBondContact O-N 3.04Å; T169-L172 PolarHBondContact O-N 3.47Å; W170-L172 PolarHBondContact O-N 2.83Å; L172-H236 WeakPolarHBondContact CD1-CE1 3.46Å; L172-A239 HydrophobicContact CD1-CB 4.07Å; L172-I240 HydrophobicContact CD1-CG1 4.15Å; L172-I240 HydrophobicContact CD2-CG1 4.49Å; L172-E244 HydrophobicContact CD2-CG 4.31Å |
| 173 | F | 67.7 | Low | 72.2 | Confident | 60 Ų | 60 | 94 Ų | 94 | 26% | 0.263 | 45% | 0.449 | S | S | . | . | I | π-helix | trans | -106.6 | -31.8 | -169.6 | -66.9 | -82.6 | 0 | 0 | 0 | 114.3 | T169 L192 | T169-F173 WeakPolarHBondContact O-CB 3.42Å; T169-F173 WeakPolarHBondContact O-CD2 3.41Å; T169-F173 PolarHBondContact O-N 2.87Å; F173-L192 HydrophobicContact CE1-CD2 4.4Å |
| 174 | F | 65.1 | Low | 70.8 | Confident | 139 Ų | 139 | 94.4 Ų | 94.4 | 61% | 0.61 | 46% | 0.455 | S | S | * | . | I | π-helix | trans | -94.5 | -3.7 | -179.7 | -72.4 | -94.3 | 0 | 0 | 0 | 113.7 | W170 K176 | W170-F174 HydrophobicContact CG-CB 4.34Å; W170-F174 WeakPolarHBondContact O-CA 3.15Å; W170-F174 WeakPolarHBondContact O-CB 3.5Å; W170-F174 PolarHBondContact O-N 3.4Å; F174-K176 PolarHBondContact O-N 3.09Å; F174-K176 VanDerWaalsContact O-N 3.15Å |
| 175 | R | 67.2 | Low | 69.7 | Low | 163 Ų | 163 | 93 Ų | 93 | 62% | 0.615 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -62.4 | 114.5 | 171.1 | -172.9 | 177.5 | -172.2 | -170 | 3.9 | 110 | A171 Q177 | A171-R175 WeakPolarHBondContact O-CB 3.25Å; R175-Q177 PolarHBondContact O-N 3.2Å |
| 176 | K | 55.5 | Low | 69 | Low | 186 Ų | 186 | 96.9 Ų | 96.9 | 81% | 0.809 | 47% | 0.47 | S | S | * | . | trans | -46.5 | 112.7 | -179 | -174.3 | 175.1 | -177.3 | 177.7 | 0 | 110.9 | F174 R178 | F174-K176 PolarHBondContact O-N 3.09Å; F174-K176 VanDerWaalsContact O-N 3.15Å; K176-R178 PolarHBondContact O-N 2.91Å | ||
| 177 | Q | 56.2 | Low | 68.4 | Low | 115 Ų | 115 | 96.5 Ų | 96.5 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | trans | -66.2 | 125.9 | 173.4 | -59.3 | -164.6 | -104 | 0 | 0 | 108.1 | R175 | R175-Q177 PolarHBondContact O-N 3.2Š| ||
| 178 | R | 54.9 | Low | 68 | Low | 220 Ų | 220 | 94.8 Ų | 94.8 | 83% | 0.83 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -81.1 | -17.4 | -173.9 | -68.2 | -177.8 | 176.1 | 179.7 | -4 | 113.8 | K176 | K176-R178 PolarHBondContact O-N 2.91Š|
| 179 | A | 58.6 | Low | 67.9 | Low | 32 Ų | 32 | 96 Ų | 96 | 26% | 0.264 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -145.6 | 142.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L279 | A179-L279 HydrophobicContact CB-CD1 3.91Å; A179-L279 HydrophobicContact CB-CD2 3.84Å; A179-L279 HydrophobicContact CB-CG 4.4Å |
| 180 | D | 54.7 | Low | 68.1 | Low | 101 Ų | 101 | 99.3 Ų | 99.3 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | trans | -80 | 132.6 | 175.1 | -71.7 | -70.5 | 0 | 0 | 0 | 111.2 | R111 | R111-D180 IonicContact CZ-OD1 2.85Å; R111-D180 IonicContact CZ-OD2 3.05Å; R111-D180 IonicContact NE-OD1 3.34Å; R111-D180 PolarHBondContact NE-OD1 3.28Å; R111-D180 IonicContact NE-OD2 2.66Å; R111-D180 IonicContact NH2-OD1 2.69Å; R111-D180 PolarHBondContact NH2-OD1 3.35Å; R111-D180 IonicContact NH2-OD2 3.77Å; R111-D180 PolarHBondContact NH2-OD2 2.89Å | ||
| 181 | V | 59.3 | Low | 68.2 | Low | 55 Ų | 55 | 91.3 Ų | 91.3 | 33% | 0.333 | 45% | 0.447 | S | S | . | . | trans | -109.1 | 122.2 | 173.4 | -79 | 0 | 0 | 0 | 0 | 109.1 | R183 Q275 L279 | V181-R183 PolarHBondContact O-N 3.19Å; V181-Q275 HydrophobicContact CG1-CG 4.21Å; V181-L279 HydrophobicContact CG1-CD1 3.45Å; V181-L279 VanDerWaalsContact CG1-CD1 3.45Å | ||
| 182 | P | 56.1 | Low | 68.5 | Low | 117 Ų | 117 | 90.8 Ų | 90.8 | 76% | 0.76 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -66.3 | 6.4 | 179.9 | 23.7 | -36.3 | 0 | 0 | 0 | 115.4 | Q275 | P182-Q275 VanDerWaalsContact CD-NE2 3.31Š|
| 183 | R | 63.4 | Low | 69.4 | Low | 140 Ų | 140 | 93.9 Ų | 93.9 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -142.2 | 140.2 | -178.2 | -64.3 | -172.7 | -179.6 | -171 | 1 | 111.4 | V181 | V181-R183 PolarHBondContact O-N 3.19Š|
| 184 | V | 62.8 | Low | 70.5 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | trans | -68.1 | 134.1 | 176.8 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | V186 A189 | V184-V186 PolarHBondContact O-N 3.45Å; V184-A189 HydrophobicContact CG1-CB 4.04Å | ||
| 185 | F | 69.9 | Low | 71.8 | Confident | 53 Ų | 53 | 88 Ų | 88 | 23% | 0.232 | 43% | 0.434 | C | S | . | . | trans | -69.3 | 122.6 | 177.9 | -171.6 | -118.9 | 0 | 0 | 0 | 110.7 | F187 R188 A189 L243 | F185-F187 VanDerWaalsContact C-N 3.31Å; F185-F187 HydrophobicContact CD1-CB 3.98Å; F185-F187 HydrophobicContact CD1-CD2 4.4Å; F185-F187 HydrophobicContact CE1-CB 3.71Å; F185-F187 AromaticContact CE1-CD2 3.65Å; F185-F187 HydrophobicContact CE1-CD2 3.65Å; F185-F187 HydrophobicContact CE1-CG 4.13Å; F185-F187 HydrophobicContact CE2-CD2 4.33Å; F185-F187 AromaticContact CZ-CD2 3.61Å; F185-F187 HydrophobicContact CZ-CD2 3.61Å; F185-F187 HydrophobicContact CZ-CE2 4.36Å; F185-F187 PolarHBondContact O-N 3.14Å; F185-R188 HydrophobicContact CB-CB 4.29Å; F185-R188 HydrophobicContact CB-CG 4.44Å; F185-R188 HydrophobicContact CD1-CB 4.46Å; F185-R188 HydrophobicContact CD1-CG 4.14Å; F185-R188 WeakPolarHBondContact O-CA 3.28Å; F185-R188 WeakPolarHBondContact O-CB 3.44Å; F185-R188 PolarHBondContact O-N 3.47Å; F185-A189 PolarHBondContact O-N 3.01Å; F185-L243 HydrophobicContact CD1-CD2 3.83Å; F185-L243 HydrophobicContact CE1-CD2 3.58Å | ||
| 186 | V | 76.3 | Confident | 72.9 | Confident | 89 Ų | 89 | 85.6 Ų | 85.6 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -54.1 | -42.9 | -171.3 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | V184 R188 A189 L190 | V184-V186 PolarHBondContact O-N 3.45Å; V186-R188 PolarHBondContact O-N 3.35Å; V186-A189 PolarHBondContact O-N 2.91Å; V186-L190 WeakPolarHBondContact O-CB 3.33Å; V186-L190 PolarHBondContact O-N 3.37Å |
| 187 | F | 76.8 | Confident | 74.7 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 32% | 0.316 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 177.3 | -62.7 | -82.4 | 0 | 0 | 0 | 113 | F185 L191 L242 L243 | F185-F187 VanDerWaalsContact C-N 3.31Å; F185-F187 HydrophobicContact CD1-CB 3.98Å; F185-F187 HydrophobicContact CD1-CD2 4.4Å; F185-F187 HydrophobicContact CE1-CB 3.71Å; F185-F187 AromaticContact CE1-CD2 3.65Å; F185-F187 HydrophobicContact CE1-CD2 3.65Å; F185-F187 HydrophobicContact CE1-CG 4.13Å; F185-F187 HydrophobicContact CE2-CD2 4.33Å; F185-F187 AromaticContact CZ-CD2 3.61Å; F185-F187 HydrophobicContact CZ-CD2 3.61Å; F185-F187 HydrophobicContact CZ-CE2 4.36Å; F185-F187 PolarHBondContact O-N 3.14Å; F187-L191 WeakPolarHBondContact O-CB 3.14Å; F187-L191 WeakPolarHBondContact O-CD1 3.39Å; F187-L191 WeakPolarHBondContact O-CG 3.31Å; F187-L191 PolarHBondContact O-N 3.23Å; F187-L242 HydrophobicContact CD1-CD1 4.39Å; F187-L243 HydrophobicContact CB-CD2 4.18Å |
| 188 | R | 80.8 | Confident | 76.5 | Confident | 66 Ų | 66 | 79.6 Ų | 79.6 | 25% | 0.249 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 173.1 | -80.2 | 178.4 | 178.8 | -174.9 | -3.5 | 110.7 | F185 V186 L191 L192 L243 | F185-R188 HydrophobicContact CB-CB 4.29Å; F185-R188 HydrophobicContact CB-CG 4.44Å; F185-R188 HydrophobicContact CD1-CB 4.46Å; F185-R188 HydrophobicContact CD1-CG 4.14Å; F185-R188 WeakPolarHBondContact O-CA 3.28Å; F185-R188 WeakPolarHBondContact O-CB 3.44Å; F185-R188 PolarHBondContact O-N 3.47Å; V186-R188 PolarHBondContact O-N 3.35Å; R188-L191 PolarHBondContact O-N 3Å; R188-L192 VanDerWaalsContact O-CG 3.28Å; R188-L192 WeakPolarHBondContact O-CG 3.44Å; R188-L192 PolarHBondContact O-N 3.32Å; R188-L243 HydrophobicContact CG-CD1 3.97Å; R188-L243 HydrophobicContact CG-CD2 3.95Å |
| 189 | A | 82.6 | Confident | 78.3 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 31% | 0.314 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V184 F185 V186 L191 L192 V193 | V184-A189 HydrophobicContact CG1-CB 4.04Å; F185-A189 PolarHBondContact O-N 3.01Å; V186-A189 PolarHBondContact O-N 2.91Å; A189-L191 PolarHBondContact O-N 2.83Å; A189-L192 PolarHBondContact O-N 3.48Å; A189-V193 WeakPolarHBondContact O-CG2 3.37Å; A189-V193 PolarHBondContact O-N 3.5Å |
| 190 | L | 85.6 | Confident | 80 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 52% | 0.524 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 176.7 | -174.4 | 153.7 | 0 | 0 | 0 | 111.8 | V186 V193 L194 | V186-L190 WeakPolarHBondContact O-CB 3.33Å; V186-L190 PolarHBondContact O-N 3.37Å; L190-V193 PolarHBondContact O-N 3.35Å; L190-L194 WeakPolarHBondContact O-CB 3.48Å; L190-L194 PolarHBondContact O-N 3.34Å |
| 191 | L | 86.7 | Confident | 81.9 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 175.8 | -72.9 | 163.2 | 0 | 0 | 0 | 112 | F187 R188 A189 L194 I195 I235 A239 L243 | F187-L191 WeakPolarHBondContact O-CB 3.14Å; F187-L191 WeakPolarHBondContact O-CD1 3.39Å; F187-L191 WeakPolarHBondContact O-CG 3.31Å; F187-L191 PolarHBondContact O-N 3.23Å; R188-L191 PolarHBondContact O-N 3Å; A189-L191 PolarHBondContact O-N 2.83Å; L191-L194 PolarHBondContact O-N 3.49Å; L191-I195 WeakPolarHBondContact O-CB 3.37Å; L191-I195 WeakPolarHBondContact O-CD1 3.33Å; L191-I195 WeakPolarHBondContact O-CG1 3.47Å; L191-I195 PolarHBondContact O-N 3.21Å; L191-I235 HydrophobicContact CD2-CG2 4.15Å; L191-A239 HydrophobicContact CD1-CB 3.65Å; L191-A239 HydrophobicContact CD2-CB 4.22Å; L191-L243 HydrophobicContact CD1-CD1 4.2Å; L191-L243 HydrophobicContact CD1-CD2 4.42Å; L191-L243 HydrophobicContact CD1-CG 4.24Å |
| 192 | L | 87 | Confident | 83.5 | Confident | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 175.6 | -69.4 | 169.2 | 0 | 0 | 0 | 111.8 | A118 L121 F173 R188 A189 I195 F196 | A118-L192 HydrophobicContact CB-CD1 4.28Å; A118-L192 HydrophobicContact CB-CD2 4.35Å; L121-L192 HydrophobicContact CD2-CB 4.15Å; L121-L192 HydrophobicContact CD2-CD2 3.84Å; L121-L192 VanDerWaalsContact CD2-O 3.3Å; L121-L192 WeakPolarHBondContact CD2-O 3.34Å; F173-L192 HydrophobicContact CE1-CD2 4.4Å; R188-L192 VanDerWaalsContact O-CG 3.28Å; R188-L192 WeakPolarHBondContact O-CG 3.44Å; R188-L192 PolarHBondContact O-N 3.32Å; A189-L192 PolarHBondContact O-N 3.48Å; L192-I195 PolarHBondContact O-N 3.25Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.21Å |
| 193 | V | 89.9 | Confident | 85.4 | Confident | 86 Ų | 86 | 67 Ų | 67 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | A189 L190 F196 L197 | A189-V193 WeakPolarHBondContact O-CG2 3.37Å; A189-V193 PolarHBondContact O-N 3.5Å; L190-V193 PolarHBondContact O-N 3.35Å; V193-F196 PolarHBondContact O-N 2.97Å; V193-L197 HydrophobicContact CG1-CD1 4.06Å; V193-L197 HydrophobicContact CG1-CG 4.42Å; V193-L197 WeakPolarHBondContact O-CG 3.35Å; V193-L197 PolarHBondContact O-N 2.98Å |
| 194 | L | 91.3 | Very high | 86.8 | Confident | 50 Ų | 50 | 66 Ų | 66 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 176.5 | -174.4 | 67.7 | 0 | 0 | 0 | 111.3 | L190 L191 F196 L197 F198 I235 | L190-L194 WeakPolarHBondContact O-CB 3.48Å; L190-L194 PolarHBondContact O-N 3.34Å; L191-L194 PolarHBondContact O-N 3.49Å; L194-F196 VanDerWaalsContact C-N 3.34Å; L194-F196 PolarHBondContact O-N 2.86Å; L194-L197 PolarHBondContact O-N 3.01Å; L194-F198 HydrophobicContact CD1-CD2 3.99Å; L194-F198 HydrophobicContact CD1-CE2 3.75Å; L194-F198 HydrophobicContact CG-CD2 4.2Å; L194-F198 HydrophobicContact CG-CE2 4.25Å; L194-F198 WeakPolarHBondContact O-CD2 3.31Å; L194-F198 PolarHBondContact O-N 2.61Å; L194-I235 HydrophobicContact CD2-CD1 4.35Å; L194-I235 HydrophobicContact CD2-CG1 4.1Å; L194-I235 HydrophobicContact CD2-CG2 4.25Å; L194-I235 HydrophobicContact CG-CD1 4.28Å |
| 195 | I | 91.6 | Very high | 88.3 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 175.4 | -72.2 | 167.2 | 0 | 0 | 0 | 110.8 | L121 V125 L191 L192 F198 V199 I235 | L121-I195 HydrophobicContact CD1-CG2 4.38Å; L121-I195 HydrophobicContact CD2-CB 4.18Å; L121-I195 HydrophobicContact CD2-CG2 3.82Å; L121-I195 HydrophobicContact CG-CG2 3.96Å; V125-I195 HydrophobicContact CG2-CG2 3.29Å; L191-I195 WeakPolarHBondContact O-CB 3.37Å; L191-I195 WeakPolarHBondContact O-CD1 3.33Å; L191-I195 WeakPolarHBondContact O-CG1 3.47Å; L191-I195 PolarHBondContact O-N 3.21Å; L192-I195 PolarHBondContact O-N 3.25Å; I195-F198 PolarHBondContact O-N 3.21Å; I195-V199 HydrophobicContact CG2-CG2 4.38Å; I195-V199 WeakPolarHBondContact O-CB 3.23Å; I195-V199 WeakPolarHBondContact O-CG2 3.44Å; I195-V199 PolarHBondContact O-N 2.77Å; I195-I235 HydrophobicContact CD1-CG2 4.17Å; I195-I235 HydrophobicContact CG1-CG2 3.72Å |
| 196 | F | 92.1 | Very high | 89.4 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 178.8 | 175.6 | -99.6 | 0 | 0 | 0 | 112.3 | L121 L192 V193 L194 F198 V199 V200 | L121-F196 HydrophobicContact CD1-CB 4.16Å; L121-F196 HydrophobicContact CD1-CD2 4.13Å; L121-F196 HydrophobicContact CD2-CB 4.31Å; L192-F196 WeakPolarHBondContact O-CB 3.48Å; L192-F196 PolarHBondContact O-N 3.21Å; V193-F196 PolarHBondContact O-N 2.97Å; L194-F196 VanDerWaalsContact C-N 3.34Å; L194-F196 PolarHBondContact O-N 2.86Å; F196-F198 PolarHBondContact O-N 3.4Å; F196-V199 PolarHBondContact O-N 3.42Å; F196-V200 HydrophobicContact CD1-CG2 4.46Å; F196-V200 HydrophobicContact CD2-CG2 4.21Å; F196-V200 HydrophobicContact CE1-CG2 4.08Å; F196-V200 HydrophobicContact CE2-CG2 3.8Å; F196-V200 HydrophobicContact CZ-CG2 3.74Å; F196-V200 WeakPolarHBondContact O-CB 3.42Å; F196-V200 WeakPolarHBondContact O-CG2 3.19Å; F196-V200 PolarHBondContact O-N 3.33Å |
| 197 | L | 93.3 | Very high | 90.1 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.1 | -70.5 | 173.5 | 0 | 0 | 0 | 112.2 | V193 L194 S201 | V193-L197 HydrophobicContact CG1-CD1 4.06Å; V193-L197 HydrophobicContact CG1-CG 4.42Å; V193-L197 WeakPolarHBondContact O-CG 3.35Å; V193-L197 PolarHBondContact O-N 2.98Å; L194-L197 PolarHBondContact O-N 3.01Å; L197-S201 WeakPolarHBondContact O-CB 3.42Å; L197-S201 PolarHBondContact O-N 2.88Å; L197-S201 PolarHBondContact O-OG 3.3Å |
| 198 | F | 92.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 174.5 | -92.7 | -101.8 | 0 | 0 | 0 | 111.9 | L194 I195 F196 V200 S201 Y202 A231 I235 | L194-F198 HydrophobicContact CD1-CD2 3.99Å; L194-F198 HydrophobicContact CD1-CE2 3.75Å; L194-F198 HydrophobicContact CG-CD2 4.2Å; L194-F198 HydrophobicContact CG-CE2 4.25Å; L194-F198 WeakPolarHBondContact O-CD2 3.31Å; L194-F198 PolarHBondContact O-N 2.61Å; I195-F198 PolarHBondContact O-N 3.21Å; F196-F198 PolarHBondContact O-N 3.4Å; F198-V200 VanDerWaalsContact C-N 3.34Å; F198-V200 PolarHBondContact O-N 3.36Å; F198-S201 PolarHBondContact O-N 3.43Å; F198-S201 PolarHBondContact O-OG 3.46Å; F198-S201 VanDerWaalsContact O-OG 3.05Å; F198-Y202 HydrophobicContact CD1-CD2 4.47Å; F198-Y202 HydrophobicContact CD1-CE2 4.01Å; F198-Y202 WeakPolarHBondContact O-CB 3.47Å; F198-Y202 VanDerWaalsContact O-CD2 3.29Å; F198-Y202 WeakPolarHBondContact O-CD2 3.41Å; F198-Y202 PolarHBondContact O-N 2.89Å; F198-A231 HydrophobicContact CD1-CB 4.16Å; F198-A231 HydrophobicContact CE1-CB 4.17Å; F198-I235 HydrophobicContact CB-CD1 4.42Å; F198-I235 HydrophobicContact CD1-CD1 4.33Å; F198-I235 HydrophobicContact CD2-CD1 4.03Å; F198-I235 HydrophobicContact CE2-CD1 4.38Å; F198-I235 HydrophobicContact CG-CD1 4Å |
| 199 | V | 92.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 179.4 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | V125 T128 I195 F196 W203 L232 | V125-V199 HydrophobicContact CG2-CG2 3.96Å; T128-V199 HydrophobicContact CG2-CG1 3.95Å; I195-V199 HydrophobicContact CG2-CG2 4.38Å; I195-V199 WeakPolarHBondContact O-CB 3.23Å; I195-V199 WeakPolarHBondContact O-CG2 3.44Å; I195-V199 PolarHBondContact O-N 2.77Å; F196-V199 PolarHBondContact O-N 3.42Å; V199-W203 VanDerWaalsContact O-CD1 3.31Å; V199-W203 PolarHBondContact O-N 2.99Å; V199-L232 HydrophobicContact CG2-CD2 4.47Å |
| 200 | V | 94 | Very high | 91.4 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 34% | 0.339 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | F196 F198 Y202 W203 L204 | F196-V200 HydrophobicContact CD1-CG2 4.46Å; F196-V200 HydrophobicContact CD2-CG2 4.21Å; F196-V200 HydrophobicContact CE1-CG2 4.08Å; F196-V200 HydrophobicContact CE2-CG2 3.8Å; F196-V200 HydrophobicContact CZ-CG2 3.74Å; F196-V200 WeakPolarHBondContact O-CB 3.42Å; F196-V200 WeakPolarHBondContact O-CG2 3.19Å; F196-V200 PolarHBondContact O-N 3.33Å; F198-V200 VanDerWaalsContact C-N 3.34Å; F198-V200 PolarHBondContact O-N 3.36Å; V200-Y202 VanDerWaalsContact C-N 3.34Å; V200-Y202 PolarHBondContact O-N 2.89Å; V200-W203 PolarHBondContact O-N 2.8Å; V200-L204 HydrophobicContact CG1-CD1 4.02Å; V200-L204 HydrophobicContact CG1-CG 4.39Å; V200-L204 WeakPolarHBondContact O-CG 3.41Å; V200-L204 PolarHBondContact O-N 2.88Å |
| 201 | S | 94.3 | Very high | 91.5 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 42% | 0.42 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 179.9 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | L197 F198 L204 F205 | L197-S201 WeakPolarHBondContact O-CB 3.42Å; L197-S201 PolarHBondContact O-N 2.88Å; L197-S201 PolarHBondContact O-OG 3.3Å; F198-S201 PolarHBondContact O-N 3.43Å; F198-S201 PolarHBondContact O-OG 3.46Å; F198-S201 VanDerWaalsContact O-OG 3.05Å; S201-L204 PolarHBondContact O-N 2.82Å; S201-F205 PolarHBondContact O-N 3Å; S201-F205 VanDerWaalsContact O-N 3.1Å |
| 202 | Y | 94.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 68.3 Ų | 68.3 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 173.9 | -89 | -102 | 0 | 0 | 0 | 112.5 | F198 V200 Y206 Y224 L228 | F198-Y202 HydrophobicContact CD1-CD2 4.47Å; F198-Y202 HydrophobicContact CD1-CE2 4.01Å; F198-Y202 WeakPolarHBondContact O-CB 3.47Å; F198-Y202 VanDerWaalsContact O-CD2 3.29Å; F198-Y202 WeakPolarHBondContact O-CD2 3.41Å; F198-Y202 PolarHBondContact O-N 2.89Å; V200-Y202 VanDerWaalsContact C-N 3.34Å; V200-Y202 PolarHBondContact O-N 2.89Å; Y202-Y206 WeakPolarHBondContact O-CB 3.31Å; Y202-Y206 PolarHBondContact O-N 3.41Å; Y202-Y224 WeakPolarHBondContact CA-OH 3.18Å; Y202-Y224 AromaticContact CD1-CE1 3.87Å; Y202-Y224 HydrophobicContact CD1-CE1 3.87Å; Y202-Y224 HydrophobicContact CD1-CE2 4.02Å; Y202-Y224 AromaticContact CD1-CZ 3.45Å; Y202-Y224 VanDerWaalsContact CD1-CZ 3.45Å; Y202-Y224 WeakPolarHBondContact CD1-OH 3.4Å; Y202-Y224 HydrophobicContact CE1-CE2 4.05Å; Y202-Y224 AromaticContact CE1-CZ 3.96Å; Y202-Y224 PolarHBondContact O-OH 2.67Å; Y202-Y224 VanDerWaalsContact O-OH 3.06Å; Y202-L228 HydrophobicContact CD1-CB 3.68Å; Y202-L228 HydrophobicContact CD1-CD1 3.96Å; Y202-L228 HydrophobicContact CD1-CD2 4.49Å; Y202-L228 HydrophobicContact CD1-CG 4.24Å; Y202-L228 HydrophobicContact CD2-CD1 4.05Å; Y202-L228 HydrophobicContact CE1-CB 3.71Å; Y202-L228 HydrophobicContact CE1-CD1 4.36Å; Y202-L228 HydrophobicContact CE2-CD1 4.44Å; Y202-L228 HydrophobicContact CG-CB 4.39Å; Y202-L228 HydrophobicContact CG-CD1 3.78Å; Y202-L228 HydrophobicContact CG-CG 4.49Å |
| 203 | W | 94.8 | Very high | 91.4 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 36% | 0.356 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 173.4 | -95 | 109.3 | 0 | 0 | 0 | 113.3 | T128 A131 F132 V199 V200 Y206 G207 | T128-W203 HydrophobicContact CG2-CZ2 4.22Å; A131-W203 HydrophobicContact CB-CH2 4.33Å; A131-W203 HydrophobicContact CB-CZ2 4.33Å; F132-W203 HydrophobicContact CD1-CH2 4.42Å; F132-W203 HydrophobicContact CD1-CZ2 4.49Å; F132-W203 AromaticContact CE1-CD2 3.67Å; F132-W203 HydrophobicContact CE1-CD2 3.67Å; F132-W203 AromaticContact CE1-CE2 3.77Å; F132-W203 AromaticContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CE3 3.78Å; F132-W203 HydrophobicContact CE1-CG 4.23Å; F132-W203 HydrophobicContact CE1-CH2 4.07Å; F132-W203 AromaticContact CE1-CZ2 3.97Å; F132-W203 HydrophobicContact CE1-CZ2 3.97Å; F132-W203 AromaticContact CE1-CZ3 3.98Å; F132-W203 HydrophobicContact CE1-CZ3 3.98Å; F132-W203 HydrophobicContact CZ-CD2 4.17Å; F132-W203 HydrophobicContact CZ-CG 4.25Å; V199-W203 VanDerWaalsContact O-CD1 3.31Å; V199-W203 PolarHBondContact O-N 2.99Å; V200-W203 PolarHBondContact O-N 2.8Å; W203-Y206 HydrophobicContact CE3-CD1 4.42Å; W203-Y206 HydrophobicContact CZ3-CD1 4.34Å; W203-Y206 PolarHBondContact O-N 2.88Å; W203-G207 PolarHBondContact O-N 3.24Å |
| 204 | L | 93.8 | Very high | 91 | Very high | 121 Ų | 121 | 72.6 Ų | 72.6 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 179.2 | -70.8 | 170.9 | 0 | 0 | 0 | 111.3 | V200 S201 G207 V208 | V200-L204 HydrophobicContact CG1-CD1 4.02Å; V200-L204 HydrophobicContact CG1-CG 4.39Å; V200-L204 WeakPolarHBondContact O-CG 3.41Å; V200-L204 PolarHBondContact O-N 2.88Å; S201-L204 PolarHBondContact O-N 2.82Å; L204-G207 PolarHBondContact O-N 3.4Å; L204-V208 WeakPolarHBondContact O-CG2 3.42Å; L204-V208 PolarHBondContact O-N 3.38Å; L204-V208 VanDerWaalsContact O-N 3.16Å |
| 205 | F | 93.4 | Very high | 90.6 | Very high | 105 Ų | 105 | 72.7 Ų | 72.7 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 177.3 | -172.5 | -85 | 0 | 0 | 0 | 111.7 | S201 G207 V208 R209 Y224 | S201-F205 PolarHBondContact O-N 3Å; S201-F205 VanDerWaalsContact O-N 3.1Å; F205-G207 PolarHBondContact O-N 3.13Å; F205-V208 PolarHBondContact O-N 3.47Å; F205-R209 HydrophobicContact CD1-CB 4.13Å; F205-R209 HydrophobicContact CD1-CG 4.11Å; F205-R209 HydrophobicContact CD2-CG 4.18Å; F205-R209 HydrophobicContact CE1-CB 3.92Å; F205-R209 HydrophobicContact CE1-CG 3.82Å; F205-R209 HydrophobicContact CE2-CG 3.9Å; F205-R209 HydrophobicContact CG-CG 4.3Å; F205-R209 HydrophobicContact CZ-CB 4.31Å; F205-R209 HydrophobicContact CZ-CG 3.72Å; F205-R209 VanDerWaalsContact O-CB 3.27Å; F205-R209 WeakPolarHBondContact O-CB 3.32Å; F205-R209 PolarHBondContact O-N 3.4Å; F205-Y224 HydrophobicContact CD1-CD2 4.43Å; F205-Y224 AromaticContact CD1-CE2 3.54Å; F205-Y224 HydrophobicContact CD1-CE2 3.54Å; F205-Y224 AromaticContact CD1-CZ 3.62Å; F205-Y224 WeakPolarHBondContact CD1-OH 3.28Å; F205-Y224 HydrophobicContact CE1-CD2 4.36Å; F205-Y224 AromaticContact CE1-CE2 3.8Å; F205-Y224 HydrophobicContact CE1-CE2 3.8Å |
| 206 | Y | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 174.2 | -176 | -92.8 | 0 | 0 | 0 | 112.3 | F132 L135 P136 Y202 W203 I210 L211 I221 Y224 | F132-Y206 HydrophobicContact CB-CD2 4.12Å; F132-Y206 HydrophobicContact CB-CE2 3.65Å; F132-Y206 AromaticContact CD1-CD1 3.83Å; F132-Y206 HydrophobicContact CD1-CD1 3.83Å; F132-Y206 AromaticContact CD1-CD2 3.69Å; F132-Y206 HydrophobicContact CD1-CD2 3.69Å; F132-Y206 AromaticContact CD1-CE1 3.89Å; F132-Y206 HydrophobicContact CD1-CE1 3.89Å; F132-Y206 AromaticContact CD1-CE2 3.79Å; F132-Y206 HydrophobicContact CD1-CE2 3.79Å; F132-Y206 AromaticContact CD1-CG 3.74Å; F132-Y206 HydrophobicContact CD1-CG 3.74Å; F132-Y206 AromaticContact CD1-CZ 3.9Å; F132-Y206 AromaticContact CD2-CD2 3.77Å; F132-Y206 HydrophobicContact CD2-CD2 3.77Å; F132-Y206 HydrophobicContact CD2-CE2 4.21Å; F132-Y206 HydrophobicContact CD2-CG 4.32Å; F132-Y206 AromaticContact CE1-CD1 3.75Å; F132-Y206 HydrophobicContact CE1-CD1 3.75Å; F132-Y206 AromaticContact CE1-CD2 3.97Å; F132-Y206 HydrophobicContact CE1-CD2 3.97Å; F132-Y206 HydrophobicContact CE1-CE1 4.27Å; F132-Y206 HydrophobicContact CE1-CE2 4.49Å; F132-Y206 AromaticContact CE1-CG 3.6Å; F132-Y206 HydrophobicContact CE1-CG 3.6Å; F132-Y206 HydrophobicContact CE2-CD2 4.05Å; F132-Y206 HydrophobicContact CE2-CG 4.2Å; F132-Y206 AromaticContact CG-CD2 3.59Å; F132-Y206 HydrophobicContact CG-CD2 3.59Å; F132-Y206 AromaticContact CG-CE2 3.63Å; F132-Y206 HydrophobicContact CG-CE2 3.63Å; F132-Y206 HydrophobicContact CG-CG 4.11Å; F132-Y206 HydrophobicContact CZ-CD1 4.42Å; F132-Y206 HydrophobicContact CZ-CD2 4.15Å; F132-Y206 AromaticContact CZ-CG 3.85Å; F132-Y206 HydrophobicContact CZ-CG 3.85Å; F132-Y206 PolarHBondContact O-OH 2.84Å; F132-Y206 VanDerWaalsContact O-OH 3.1Å; L135-Y206 HydrophobicContact CD2-CE1 4.32Å; P136-Y206 VanDerWaalsContact CD-OH 3.26Å; P136-Y206 WeakPolarHBondContact CD-OH 3.4Å; P136-Y206 VanDerWaalsContact CG-OH 3.25Å; P136-Y206 WeakPolarHBondContact CG-OH 3.43Å; Y202-Y206 WeakPolarHBondContact O-CB 3.31Å; Y202-Y206 PolarHBondContact O-N 3.41Å; W203-Y206 HydrophobicContact CE3-CD1 4.42Å; W203-Y206 HydrophobicContact CZ3-CD1 4.34Å; W203-Y206 PolarHBondContact O-N 2.88Å; Y206-I210 HydrophobicContact CD2-CB 4.16Å; Y206-I210 HydrophobicContact CD2-CD1 3.44Å; Y206-I210 VanDerWaalsContact CD2-CD1 3.44Å; Y206-I210 HydrophobicContact CD2-CG1 4.37Å; Y206-I210 HydrophobicContact CD2-CG2 4.37Å; Y206-I210 HydrophobicContact CE2-CB 4.13Å; Y206-I210 HydrophobicContact CE2-CD1 3.75Å; Y206-I210 HydrophobicContact CE2-CG2 3.83Å; Y206-I210 HydrophobicContact CG-CD1 4.34Å; Y206-I210 WeakPolarHBondContact O-CA 3.15Å; Y206-I210 WeakPolarHBondContact O-CB 3.32Å; Y206-I210 PolarHBondContact O-N 3.34Å; Y206-L211 HydrophobicContact CD1-CD1 4.04Å; Y206-L211 HydrophobicContact CD1-CD2 4.47Å; Y206-L211 HydrophobicContact CD1-CG 3.98Å; Y206-L211 HydrophobicContact CE1-CD1 3.83Å; Y206-L211 HydrophobicContact CE1-CD2 3.68Å; Y206-L211 HydrophobicContact CE1-CG 3.67Å; Y206-L211 PolarHBondContact O-N 3Å; Y206-I221 HydrophobicContact CE2-CG2 4.36Å; Y206-Y224 HydrophobicContact CD2-CD1 4.04Å; Y206-Y224 HydrophobicContact CD2-CE1 4.03Å |
| 207 | G | 90.6 | Very high | 90.1 | Very high | 26 Ų | 26 | 72.8 Ų | 72.8 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | I | π-helix | trans | -57.5 | -51.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W203 L204 F205 L211 D212 | W203-G207 PolarHBondContact O-N 3.24Å; L204-G207 PolarHBondContact O-N 3.4Å; F205-G207 PolarHBondContact O-N 3.13Å; G207-L211 WeakPolarHBondContact O-CB 3.3Å; G207-L211 PolarHBondContact O-N 2.88Å; G207-D212 PolarHBondContact O-N 2.94Å |
| 208 | V | 92.4 | Very high | 89.8 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | I | π-helix | trans | -74.9 | -35 | -176.3 | 178 | 0 | 0 | 0 | 0 | 113.2 | L204 F205 | L204-V208 WeakPolarHBondContact O-CG2 3.42Å; L204-V208 PolarHBondContact O-N 3.38Å; L204-V208 VanDerWaalsContact O-N 3.16Å; F205-V208 PolarHBondContact O-N 3.47Å |
| 209 | R | 87.8 | Confident | 89.7 | Confident | 155 Ų | 155 | 70.6 Ų | 70.6 | 59% | 0.585 | 35% | 0.353 | S | S | * | . | I | π-helix | trans | -100.8 | -17.4 | -171.5 | -69.4 | -66.6 | -165.5 | 162.5 | 0 | 115.7 | F205 S213 | F205-R209 HydrophobicContact CD1-CB 4.13Å; F205-R209 HydrophobicContact CD1-CG 4.11Å; F205-R209 HydrophobicContact CD2-CG 4.18Å; F205-R209 HydrophobicContact CE1-CB 3.92Å; F205-R209 HydrophobicContact CE1-CG 3.82Å; F205-R209 HydrophobicContact CE2-CG 3.9Å; F205-R209 HydrophobicContact CG-CG 4.3Å; F205-R209 HydrophobicContact CZ-CB 4.31Å; F205-R209 HydrophobicContact CZ-CG 3.72Å; F205-R209 VanDerWaalsContact O-CB 3.27Å; F205-R209 WeakPolarHBondContact O-CB 3.32Å; F205-R209 PolarHBondContact O-N 3.4Å; R209-S213 PolarHBondContact O-OG 2.93Å |
| 210 | I | 87.5 | Confident | 89.5 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 5% | 0.046 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -120.3 | -41.2 | -177.6 | -65.9 | 162.2 | 0 | 0 | 0 | 110.8 | Y206 R214 D215 I221 Y224 | Y206-I210 HydrophobicContact CD2-CB 4.16Å; Y206-I210 HydrophobicContact CD2-CD1 3.44Å; Y206-I210 VanDerWaalsContact CD2-CD1 3.44Å; Y206-I210 HydrophobicContact CD2-CG1 4.37Å; Y206-I210 HydrophobicContact CD2-CG2 4.37Å; Y206-I210 HydrophobicContact CE2-CB 4.13Å; Y206-I210 HydrophobicContact CE2-CD1 3.75Å; Y206-I210 HydrophobicContact CE2-CG2 3.83Å; Y206-I210 HydrophobicContact CG-CD1 4.34Å; Y206-I210 WeakPolarHBondContact O-CA 3.15Å; Y206-I210 WeakPolarHBondContact O-CB 3.32Å; Y206-I210 PolarHBondContact O-N 3.34Å; I210-R214 WeakPolarHBondContact O-CA 3.43Å; I210-R214 PolarHBondContact O-N 2.87Å; I210-D215 PolarHBondContact O-N 2.85Å; I210-I221 HydrophobicContact CG1-CG1 4.48Å; I210-I221 HydrophobicContact CG2-CD1 3.79Å; I210-I221 HydrophobicContact CG2-CG1 3.9Å; I210-I221 HydrophobicContact CG2-CG2 4.46Å; I210-Y224 HydrophobicContact CD1-CD1 3.84Å; I210-Y224 HydrophobicContact CD1-CE1 4.42Å; I210-Y224 HydrophobicContact CD1-CG 4.16Å |
| 211 | L | 87 | Confident | 89.4 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | I | π-helix | trans | -83.4 | -48.4 | -179.6 | -56.7 | -176.1 | 0 | 0 | 0 | 113.5 | L135 L139 Y206 G207 | L135-L211 HydrophobicContact CD2-CD1 3.99Å; L135-L211 HydrophobicContact CD2-CD2 3.36Å; L135-L211 HydrophobicContact CD2-CG 4.33Å; L139-L211 HydrophobicContact CD1-CD2 4.4Å; Y206-L211 HydrophobicContact CD1-CD1 4.04Å; Y206-L211 HydrophobicContact CD1-CD2 4.47Å; Y206-L211 HydrophobicContact CD1-CG 3.98Å; Y206-L211 HydrophobicContact CE1-CD1 3.83Å; Y206-L211 HydrophobicContact CE1-CD2 3.68Å; Y206-L211 HydrophobicContact CE1-CG 3.67Å; Y206-L211 PolarHBondContact O-N 3Å; G207-L211 WeakPolarHBondContact O-CB 3.3Å; G207-L211 PolarHBondContact O-N 2.88Å |
| 212 | D | 87.7 | Confident | 89.2 | Confident | 136 Ų | 136 | 67.6 Ų | 67.6 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | I | π-helix | trans | -69.1 | -47 | -178.2 | -163.6 | 38.8 | 0 | 0 | 0 | 111.4 | G207 R214 | G207-D212 PolarHBondContact O-N 2.94Å; D212-R214 PolarHBondContact O-N 3.43Å |
| 213 | S | 84.2 | Confident | 89.1 | Confident | 76 Ų | 76 | 70.5 Ų | 70.5 | 53% | 0.531 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.8 | 177.9 | 49.7 | 0 | 0 | 0 | 0 | 116 | R209 D215 | R209-S213 PolarHBondContact O-OG 2.93Å; S213-D215 PolarHBondContact O-N 3.14Å |
| 214 | R | 82.7 | Confident | 89 | Confident | 133 Ų | 133 | 67.8 Ų | 67.8 | 50% | 0.502 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.1 | 66.5 | 177.8 | -60.4 | -173 | -174.8 | -171.1 | 2.2 | 114.7 | W140 E143 I210 D212 Q216 | W140-R214 HydrophobicContact CZ2-CB 4.4Å; E143-R214 IonicContact OE1-NH1 3.51Å; E143-R214 IonicContact OE2-NH1 3.88Å; I210-R214 WeakPolarHBondContact O-CA 3.43Å; I210-R214 PolarHBondContact O-N 2.87Å; D212-R214 PolarHBondContact O-N 3.43Å; R214-Q216 PolarHBondContact O-N 2.9Å |
| 215 | D | 81.6 | Confident | 89 | Confident | 52 Ų | 52 | 62 Ų | 62 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | trans | -69.6 | 105.2 | -174.1 | -168.9 | -11.4 | 0 | 0 | 0 | 113.1 | W140 I210 S213 N217 | W140-D215 WeakPolarHBondContact CH2-O 3.43Å; W140-D215 VanDerWaalsContact CZ3-O 3.27Å; W140-D215 WeakPolarHBondContact CZ3-O 3.05Å; I210-D215 PolarHBondContact O-N 2.85Å; S213-D215 PolarHBondContact O-N 3.14Å; D215-N217 PolarHBondContact O-N 3.33Å; D215-N217 VanDerWaalsContact O-N 3.09Å; D215-N217 WeakPolarHBondContact OD1-CB 3.49Å; D215-N217 PolarHBondContact OD1-N 3.42Å | ||
| 216 | Q | 84.6 | Confident | 89.1 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | trans | -65.8 | -11.3 | -177.7 | -61.8 | -172.3 | -16.2 | 0 | 0 | 114.6 | E143 K145 R214 Y218 | E143-Q216 WeakPolarHBondContact O-CB 3.46Å; E143-Q216 VanDerWaalsContact O-CG 3.23Å; E143-Q216 WeakPolarHBondContact O-CG 3.17Å; K145-Q216 PolarHBondContact N-O 2.99Å; K145-Q216 VanDerWaalsContact N-O 3.11Å; R214-Q216 PolarHBondContact O-N 2.9Å; Q216-Y218 PolarHBondContact O-N 3.48Å | ||
| 217 | N | 88.4 | Confident | 89.2 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | trans | -84.3 | 85.7 | 178.5 | -69.5 | -9 | 0 | 0 | 0 | 111.8 | K145 D215 K219 D220 I221 | K145-N217 PolarHBondContact NZ-OD1 3.23Å; D215-N217 PolarHBondContact O-N 3.33Å; D215-N217 VanDerWaalsContact O-N 3.09Å; D215-N217 WeakPolarHBondContact OD1-CB 3.49Å; D215-N217 PolarHBondContact OD1-N 3.42Å; N217-K219 PolarHBondContact O-N 2.9Å; N217-D220 HydrophobicContact CB-CB 4.13Å; N217-D220 WeakPolarHBondContact CB-OD2 3.41Å; N217-D220 PolarHBondContact ND2-OD2 2.89Å; N217-D220 PolarHBondContact O-N 3.38Å; N217-I221 PolarHBondContact O-N 2.92Å | ||
| 218 | Y | 88.3 | Confident | 89.3 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.1 | -31.2 | 178.6 | -173.2 | -112.8 | 0 | 0 | 0 | 114.4 | I133 L144 C147 C151 L155 Q216 D220 I221 V222 | I133-Y218 VanDerWaalsContact CG2-OH 3.31Å; I133-Y218 WeakPolarHBondContact CG2-OH 3.46Å; L144-Y218 HydrophobicContact CD2-CD2 3.91Å; L144-Y218 HydrophobicContact CD2-CG 4.3Å; C147-Y218 HydrophobicContact CB-CD1 3.85Å; C147-Y218 HydrophobicContact CB-CE1 4.13Å; C151-Y218 VanDerWaalsContact SG-CD1 3.59Å; L155-Y218 HydrophobicContact CD1-CE1 4.4Å; Q216-Y218 PolarHBondContact O-N 3.48Å; Y218-D220 VanDerWaalsContact C-N 3.31Å; Y218-D220 PolarHBondContact O-N 3.41Å; Y218-I221 PolarHBondContact O-N 2.84Å; Y218-V222 HydrophobicContact CD1-CG2 4.01Å; Y218-V222 HydrophobicContact CD2-CG2 4.46Å; Y218-V222 HydrophobicContact CE1-CG2 3.61Å; Y218-V222 HydrophobicContact CE2-CG2 4.11Å; Y218-V222 HydrophobicContact CG-CG2 4.43Å; Y218-V222 WeakPolarHBondContact O-CG2 3.31Å; Y218-V222 PolarHBondContact O-N 3.42Å |
| 219 | K | 89.7 | Confident | 89.5 | Confident | 95 Ų | 95 | 54 Ų | 54 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.6 | -44 | 173.1 | -178.1 | -161.7 | 167.1 | -157.6 | 0 | 112.2 | C151 N217 V222 Q223 | C151-K219 HydrophobicContact CB-CB 4.31Å; C151-K219 HydrophobicContact CB-CG 4.34Å; N217-K219 PolarHBondContact O-N 2.9Å; K219-V222 PolarHBondContact O-N 3.13Å; K219-Q223 WeakPolarHBondContact O-CB 3.49Å; K219-Q223 PolarHBondContact O-N 2.8Å |
| 220 | D | 89.3 | Confident | 89.8 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.2 | -34.6 | -173.3 | -59.2 | -25.9 | 0 | 0 | 0 | 110.1 | N217 Y218 Q223 Y224 | N217-D220 HydrophobicContact CB-CB 4.13Å; N217-D220 WeakPolarHBondContact CB-OD2 3.41Å; N217-D220 PolarHBondContact ND2-OD2 2.89Å; N217-D220 PolarHBondContact O-N 3.38Å; Y218-D220 VanDerWaalsContact C-N 3.31Å; Y218-D220 PolarHBondContact O-N 3.41Å; D220-Q223 PolarHBondContact O-N 3.32Å; D220-Y224 WeakPolarHBondContact O-CB 3.46Å; D220-Y224 PolarHBondContact O-N 3.35Å |
| 221 | I | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -51.1 | 168.5 | -57.4 | 179.9 | 0 | 0 | 0 | 111.4 | F132 P136 W140 L144 Y206 I210 N217 Y218 Q223 Y224 A225 | F132-I221 WeakPolarHBondContact O-CG2 3.5Å; P136-I221 HydrophobicContact CB-CD1 4.01Å; P136-I221 HydrophobicContact CG-CD1 3.87Å; P136-I221 HydrophobicContact CG-CG2 4.11Å; W140-I221 HydrophobicContact CH2-CD1 4.02Å; L144-I221 HydrophobicContact CD2-CD1 4.37Å; Y206-I221 HydrophobicContact CE2-CG2 4.36Å; I210-I221 HydrophobicContact CG1-CG1 4.48Å; I210-I221 HydrophobicContact CG2-CD1 3.79Å; I210-I221 HydrophobicContact CG2-CG1 3.9Å; I210-I221 HydrophobicContact CG2-CG2 4.46Å; N217-I221 PolarHBondContact O-N 2.92Å; Y218-I221 PolarHBondContact O-N 2.84Å; I221-Q223 VanDerWaalsContact C-N 3.32Å; I221-Q223 PolarHBondContact O-N 3.14Å; I221-Y224 WeakPolarHBondContact O-CB 3.46Å; I221-Y224 PolarHBondContact O-N 3.15Å; I221-A225 PolarHBondContact O-N 2.73Å |
| 222 | V | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 178.9 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | L154 L155 Y218 K219 Y224 A225 V226 | L154-V222 HydrophobicContact CB-CG1 3.65Å; L154-V222 HydrophobicContact CD1-CG1 4.43Å; L155-V222 HydrophobicContact CD2-CG1 3.88Å; L155-V222 HydrophobicContact CD2-CG2 3.86Å; L155-V222 HydrophobicContact CG-CG1 4.12Å; L155-V222 HydrophobicContact CG-CG2 4.42Å; Y218-V222 HydrophobicContact CD1-CG2 4.01Å; Y218-V222 HydrophobicContact CD2-CG2 4.46Å; Y218-V222 HydrophobicContact CE1-CG2 3.61Å; Y218-V222 HydrophobicContact CE2-CG2 4.11Å; Y218-V222 HydrophobicContact CG-CG2 4.43Å; Y218-V222 WeakPolarHBondContact O-CG2 3.31Å; Y218-V222 PolarHBondContact O-N 3.42Å; K219-V222 PolarHBondContact O-N 3.13Å; V222-Y224 VanDerWaalsContact C-N 3.32Å; V222-Y224 PolarHBondContact O-N 3.09Å; V222-A225 PolarHBondContact O-N 2.88Å; V222-V226 HydrophobicContact CG1-CG2 4.44Å; V222-V226 WeakPolarHBondContact O-CG2 3.18Å; V222-V226 PolarHBondContact O-N 2.73Å |
| 223 | Q | 92.4 | Very high | 90.6 | Very high | 103 Ų | 103 | 41.2 Ų | 41.2 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 175.2 | -176.1 | 171.7 | -26.8 | 0 | 0 | 112.2 | L154 K219 D220 I221 V226 S227 | L154-Q223 HydrophobicContact CD1-CB 4.21Å; K219-Q223 WeakPolarHBondContact O-CB 3.49Å; K219-Q223 PolarHBondContact O-N 2.8Å; D220-Q223 PolarHBondContact O-N 3.32Å; I221-Q223 VanDerWaalsContact C-N 3.32Å; I221-Q223 PolarHBondContact O-N 3.14Å; Q223-V226 PolarHBondContact O-N 2.88Å; Q223-S227 PolarHBondContact O-N 3.18Å; Q223-S227 VanDerWaalsContact O-N 3.1Å |
| 224 | Y | 92.8 | Very high | 91.1 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 172.8 | -175.7 | -102.8 | 0 | 0 | 0 | 111.9 | F132 Y202 F205 Y206 I210 D220 I221 V222 V226 S227 L228 | F132-Y224 HydrophobicContact CD2-CD1 4.12Å; F132-Y224 HydrophobicContact CD2-CE1 4.04Å; F132-Y224 HydrophobicContact CE2-CD1 4.27Å; F132-Y224 AromaticContact CE2-CE1 3.71Å; F132-Y224 HydrophobicContact CE2-CE1 3.71Å; Y202-Y224 WeakPolarHBondContact CA-OH 3.18Å; Y202-Y224 AromaticContact CD1-CE1 3.87Å; Y202-Y224 HydrophobicContact CD1-CE1 3.87Å; Y202-Y224 HydrophobicContact CD1-CE2 4.02Å; Y202-Y224 AromaticContact CD1-CZ 3.45Å; Y202-Y224 VanDerWaalsContact CD1-CZ 3.45Å; Y202-Y224 WeakPolarHBondContact CD1-OH 3.4Å; Y202-Y224 HydrophobicContact CE1-CE2 4.05Å; Y202-Y224 AromaticContact CE1-CZ 3.96Å; Y202-Y224 PolarHBondContact O-OH 2.67Å; Y202-Y224 VanDerWaalsContact O-OH 3.06Å; F205-Y224 HydrophobicContact CD1-CD2 4.43Å; F205-Y224 AromaticContact CD1-CE2 3.54Å; F205-Y224 HydrophobicContact CD1-CE2 3.54Å; F205-Y224 AromaticContact CD1-CZ 3.62Å; F205-Y224 WeakPolarHBondContact CD1-OH 3.28Å; F205-Y224 HydrophobicContact CE1-CD2 4.36Å; F205-Y224 AromaticContact CE1-CE2 3.8Å; F205-Y224 HydrophobicContact CE1-CE2 3.8Å; Y206-Y224 HydrophobicContact CD2-CD1 4.04Å; Y206-Y224 HydrophobicContact CD2-CE1 4.03Å; I210-Y224 HydrophobicContact CD1-CD1 3.84Å; I210-Y224 HydrophobicContact CD1-CE1 4.42Å; I210-Y224 HydrophobicContact CD1-CG 4.16Å; D220-Y224 WeakPolarHBondContact O-CB 3.46Å; D220-Y224 PolarHBondContact O-N 3.35Å; I221-Y224 WeakPolarHBondContact O-CB 3.46Å; I221-Y224 PolarHBondContact O-N 3.15Å; V222-Y224 VanDerWaalsContact C-N 3.32Å; V222-Y224 PolarHBondContact O-N 3.09Å; Y224-V226 PolarHBondContact O-N 3.18Å; Y224-S227 PolarHBondContact O-N 2.04Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; Y224-S227 PolarHBondContact O-OG 3.49Å; Y224-L228 PolarHBondContact O-N 3.31Å |
| 225 | A | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.4 | -39.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F132 I133 I221 V222 S227 L228 V229 | F132-A225 HydrophobicContact CB-CB 4.1Å; I133-A225 HydrophobicContact CD1-CB 4.04Å; I133-A225 HydrophobicContact CG1-CB 3.73Å; I221-A225 PolarHBondContact O-N 2.73Å; V222-A225 PolarHBondContact O-N 2.88Å; A225-S227 VanDerWaalsContact C-N 3.31Å; A225-S227 PolarHBondContact O-N 3.4Å; A225-L228 PolarHBondContact O-N 2.98Å; A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 3.09Å |
| 226 | V | 94.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57 | -45.2 | 172.3 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L154 V158 V222 Q223 Y224 L228 V229 D230 | L154-V226 HydrophobicContact CB-CG2 4.07Å; L154-V226 HydrophobicContact CD2-CG2 4.15Å; V158-V226 HydrophobicContact CG2-CB 4.3Å; V158-V226 HydrophobicContact CG2-CG2 3.39Å; V222-V226 HydrophobicContact CG1-CG2 4.44Å; V222-V226 WeakPolarHBondContact O-CG2 3.18Å; V222-V226 PolarHBondContact O-N 2.73Å; Q223-V226 PolarHBondContact O-N 2.88Å; Y224-V226 PolarHBondContact O-N 3.18Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.39Å; V226-V229 PolarHBondContact O-N 3.39Å; V226-V229 VanDerWaalsContact O-N 3.14Å; V226-D230 WeakPolarHBondContact CG1-OD2 3.45Å; V226-D230 PolarHBondContact O-N 2.84Å |
| 227 | S | 95 | Very high | 92.1 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.8 | -33.5 | -178.7 | 79.9 | 0 | 0 | 0 | 0 | 113.4 | Q223 Y224 A225 A231 | Q223-S227 PolarHBondContact O-N 3.18Å; Q223-S227 VanDerWaalsContact O-N 3.1Å; Y224-S227 PolarHBondContact O-N 2.04Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; Y224-S227 PolarHBondContact O-OG 3.49Å; A225-S227 VanDerWaalsContact C-N 3.31Å; A225-S227 PolarHBondContact O-N 3.4Å; S227-A231 PolarHBondContact O-N 3.42Å |
| 228 | L | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -47.4 | 172 | 172.8 | 58.5 | 0 | 0 | 0 | 110.8 | P129 F132 Y202 Y224 A225 V226 D230 A231 L232 | P129-L228 HydrophobicContact CG-CD2 4.07Å; P129-L228 HydrophobicContact CG-CG 4.39Å; F132-L228 HydrophobicContact CD2-CD2 3.99Å; F132-L228 HydrophobicContact CE2-CD2 3.64Å; F132-L228 HydrophobicContact CZ-CD2 4.37Å; Y202-L228 HydrophobicContact CD1-CB 3.68Å; Y202-L228 HydrophobicContact CD1-CD1 3.96Å; Y202-L228 HydrophobicContact CD1-CD2 4.49Å; Y202-L228 HydrophobicContact CD1-CG 4.24Å; Y202-L228 HydrophobicContact CD2-CD1 4.05Å; Y202-L228 HydrophobicContact CE1-CB 3.71Å; Y202-L228 HydrophobicContact CE1-CD1 4.36Å; Y202-L228 HydrophobicContact CE2-CD1 4.44Å; Y202-L228 HydrophobicContact CG-CB 4.39Å; Y202-L228 HydrophobicContact CG-CD1 3.78Å; Y202-L228 HydrophobicContact CG-CG 4.49Å; Y224-L228 PolarHBondContact O-N 3.31Å; A225-L228 PolarHBondContact O-N 2.98Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.39Å; L228-D230 VanDerWaalsContact C-N 3.3Å; L228-D230 PolarHBondContact O-N 3.48Å; L228-A231 PolarHBondContact O-N 2.97Å; L228-L232 HydrophobicContact CD1-CD1 3.87Å; L228-L232 HydrophobicContact CD1-CG 4.06Å; L228-L232 HydrophobicContact CG-CD1 3.87Å; L228-L232 HydrophobicContact CG-CG 4.49Å; L228-L232 WeakPolarHBondContact O-CB 3.43Å; L228-L232 VanDerWaalsContact O-CG 3.26Å; L228-L232 WeakPolarHBondContact O-CG 3.4Å; L228-L232 PolarHBondContact O-N 2.82Å |
| 229 | V | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -38.2 | 179.2 | -178 | 0 | 0 | 0 | 0 | 111.3 | P129 V158 K161 L162 A225 V226 L232 L233 | P129-V229 HydrophobicContact CB-CG2 3.47Å; P129-V229 VanDerWaalsContact CB-CG2 3.47Å; P129-V229 HydrophobicContact CG-CG2 3.65Å; V158-V229 HydrophobicContact CG1-CG2 4.39Å; K161-V229 HydrophobicContact CB-CG1 3.47Å; K161-V229 VanDerWaalsContact CB-CG1 3.47Å; K161-V229 HydrophobicContact CD-CG1 4.24Å; K161-V229 HydrophobicContact CG-CG1 4.45Å; L162-V229 HydrophobicContact CD2-CG1 4.37Å; L162-V229 HydrophobicContact CD2-CG2 4.08Å; L162-V229 HydrophobicContact CG-CG2 4.43Å; A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 3.09Å; V226-V229 PolarHBondContact O-N 3.39Å; V226-V229 VanDerWaalsContact O-N 3.14Å; V229-L232 PolarHBondContact O-N 2.9Å; V229-L233 HydrophobicContact CG1-CD1 4.35Å; V229-L233 WeakPolarHBondContact O-CB 3Å; V229-L233 WeakPolarHBondContact O-CG 3.41Å; V229-L233 PolarHBondContact O-N 2.88Å |
| 230 | D | 94.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 175 | -74.3 | -32.9 | 0 | 0 | 0 | 111.9 | K161 V226 L228 L232 L233 F234 | K161-D230 WeakPolarHBondContact CD-OD1 3.34Å; K161-D230 WeakPolarHBondContact CE-OD1 3.37Å; K161-D230 IonicContact NZ-OD1 3.48Å; K161-D230 PolarHBondContact NZ-OD1 2.77Å; K161-D230 IonicContact NZ-OD2 2.98Å; K161-D230 PolarHBondContact NZ-OD2 3.46Å; V226-D230 WeakPolarHBondContact CG1-OD2 3.45Å; V226-D230 PolarHBondContact O-N 2.84Å; L228-D230 VanDerWaalsContact C-N 3.3Å; L228-D230 PolarHBondContact O-N 3.48Å; D230-L232 VanDerWaalsContact C-N 3.33Å; D230-L232 PolarHBondContact O-N 3.35Å; D230-L233 PolarHBondContact O-N 2.75Å; D230-F234 HydrophobicContact CB-CE2 4.44Å; D230-F234 WeakPolarHBondContact O-CD2 3.3Å; D230-F234 PolarHBondContact O-N 2.88Å |
| 231 | A | 94.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 37 Ų | 37 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F198 S227 L228 F234 I235 | F198-A231 HydrophobicContact CD1-CB 4.16Å; F198-A231 HydrophobicContact CE1-CB 4.17Å; S227-A231 PolarHBondContact O-N 3.42Å; L228-A231 PolarHBondContact O-N 2.97Å; A231-F234 PolarHBondContact O-N 2.86Å; A231-I235 WeakPolarHBondContact O-CG1 3.38Å; A231-I235 PolarHBondContact O-N 2.89Å |
| 232 | L | 92.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 176.3 | -69.5 | 166.6 | 0 | 0 | 0 | 112.3 | V125 P129 L165 V199 L228 V229 D230 I235 H236 | V125-L232 HydrophobicContact CG1-CD1 4.02Å; V125-L232 HydrophobicContact CG1-CD2 3.92Å; V125-L232 HydrophobicContact CG1-CG 4.45Å; V125-L232 HydrophobicContact CG2-CD2 4.15Å; P129-L232 HydrophobicContact CG-CD1 4.36Å; L165-L232 HydrophobicContact CD2-CB 4.05Å; L165-L232 HydrophobicContact CD2-CD1 4.38Å; V199-L232 HydrophobicContact CG2-CD2 4.47Å; L228-L232 HydrophobicContact CD1-CD1 3.87Å; L228-L232 HydrophobicContact CD1-CG 4.06Å; L228-L232 HydrophobicContact CG-CD1 3.87Å; L228-L232 HydrophobicContact CG-CG 4.49Å; L228-L232 WeakPolarHBondContact O-CB 3.43Å; L228-L232 VanDerWaalsContact O-CG 3.26Å; L228-L232 WeakPolarHBondContact O-CG 3.4Å; L228-L232 PolarHBondContact O-N 2.82Å; V229-L232 PolarHBondContact O-N 2.9Å; D230-L232 VanDerWaalsContact C-N 3.33Å; D230-L232 PolarHBondContact O-N 3.35Å; L232-I235 PolarHBondContact O-N 2.86Å; L232-H236 WeakPolarHBondContact O-CB 3.14Å; L232-H236 PolarHBondContact O-N 3.01Å |
| 233 | L | 93.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 173.6 | -79.5 | 173.6 | 0 | 0 | 0 | 112.1 | K161 I164 L165 V229 D230 I235 H236 Y237 | K161-L233 HydrophobicContact CB-CD1 3.75Å; K161-L233 HydrophobicContact CD-CD1 4.26Å; K161-L233 HydrophobicContact CG-CD1 3.78Å; I164-L233 HydrophobicContact CG2-CD2 4.02Å; L165-L233 HydrophobicContact CB-CD2 4.09Å; L165-L233 HydrophobicContact CD1-CD2 4.12Å; V229-L233 HydrophobicContact CG1-CD1 4.35Å; V229-L233 WeakPolarHBondContact O-CB 3Å; V229-L233 WeakPolarHBondContact O-CG 3.41Å; V229-L233 PolarHBondContact O-N 2.88Å; D230-L233 PolarHBondContact O-N 2.75Å; L233-I235 PolarHBondContact O-N 3.22Å; L233-H236 CarbonylContact O-C 3.57Å; L233-H236 WeakPolarHBondContact O-CB 3.46Å; L233-H236 PolarHBondContact O-N 2.86Å; L233-H236 VanDerWaalsContact O-N 3.14Å; L233-Y237 HydrophobicContact CB-CE2 4.19Å; L233-Y237 WeakPolarHBondContact O-CD2 3.34Å; L233-Y237 PolarHBondContact O-N 3.02Å |
| 234 | F | 93.3 | Very high | 89.7 | Confident | 148 Ų | 148 | 37 Ų | 37 | 65% | 0.649 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -62.5 | -41.3 | 174.3 | -75.1 | -61.2 | 0 | 0 | 0 | 112.4 | D230 A231 H236 Y237 L238 | D230-F234 HydrophobicContact CB-CE2 4.44Å; D230-F234 WeakPolarHBondContact O-CD2 3.3Å; D230-F234 PolarHBondContact O-N 2.88Å; A231-F234 PolarHBondContact O-N 2.86Å; F234-H236 VanDerWaalsContact C-N 3.3Å; F234-H236 PolarHBondContact O-N 3.46Å; F234-Y237 PolarHBondContact O-N 3.32Å; F234-L238 WeakPolarHBondContact O-CB 3.22Å; F234-L238 PolarHBondContact O-N 2.86Å |
| 235 | I | 91.4 | Very high | 88.9 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 173.3 | -64.8 | 164.9 | 0 | 0 | 0 | 110.8 | L191 L194 I195 F198 A231 L232 L233 L238 A239 | L191-I235 HydrophobicContact CD2-CG2 4.15Å; L194-I235 HydrophobicContact CD2-CD1 4.35Å; L194-I235 HydrophobicContact CD2-CG1 4.1Å; L194-I235 HydrophobicContact CD2-CG2 4.25Å; L194-I235 HydrophobicContact CG-CD1 4.28Å; I195-I235 HydrophobicContact CD1-CG2 4.17Å; I195-I235 HydrophobicContact CG1-CG2 3.72Å; F198-I235 HydrophobicContact CB-CD1 4.42Å; F198-I235 HydrophobicContact CD1-CD1 4.33Å; F198-I235 HydrophobicContact CD2-CD1 4.03Å; F198-I235 HydrophobicContact CE2-CD1 4.38Å; F198-I235 HydrophobicContact CG-CD1 4Å; A231-I235 WeakPolarHBondContact O-CG1 3.38Å; A231-I235 PolarHBondContact O-N 2.89Å; L232-I235 PolarHBondContact O-N 2.86Å; L233-I235 PolarHBondContact O-N 3.22Å; I235-L238 PolarHBondContact O-N 2.8Å; I235-A239 WeakPolarHBondContact O-CB 3.45Å; I235-A239 PolarHBondContact O-N 2.9Å |
| 236 | H | 89.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 7% | 0.069 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -43.4 | 175.2 | -176.5 | 67.5 | 0 | 0 | 0 | 112.8 | L165 G168 L172 L232 L233 F234 A239 I240 | L165-H236 HydrophobicContact CD1-CB 3.97Å; G168-H236 VanDerWaalsContact CA-CE1 3.5Å; G168-H236 WeakPolarHBondContact CA-CE1 3.38Å; G168-H236 VanDerWaalsContact CA-NE2 3.35Å; G168-H236 WeakPolarHBondContact CA-NE2 3.42Å; G168-H236 PolarHBondContact O-CE1 2.87Å; G168-H236 VanDerWaalsContact O-CE1 3.3Å; L172-H236 WeakPolarHBondContact CD1-CE1 3.46Å; L232-H236 WeakPolarHBondContact O-CB 3.14Å; L232-H236 PolarHBondContact O-N 3.01Å; L233-H236 CarbonylContact O-C 3.57Å; L233-H236 WeakPolarHBondContact O-CB 3.46Å; L233-H236 PolarHBondContact O-N 2.86Å; L233-H236 VanDerWaalsContact O-N 3.14Å; F234-H236 VanDerWaalsContact C-N 3.3Å; F234-H236 PolarHBondContact O-N 3.46Å; H236-A239 WeakPolarHBondContact O-CA 3.22Å; H236-A239 VanDerWaalsContact O-CB 3.31Å; H236-A239 WeakPolarHBondContact O-CB 3.48Å; H236-A239 PolarHBondContact O-N 3.24Å; H236-A239 VanDerWaalsContact O-N 3.13Å; H236-I240 PolarHBondContact O-N 3.35Å |
| 237 | Y | 90.1 | Very high | 86.7 | Confident | 112 Ų | 112 | 46.1 Ų | 46.1 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 173.8 | -64 | -47.3 | 0 | 0 | 0 | 111.8 | L233 F234 A239 I240 V241 | L233-Y237 HydrophobicContact CB-CE2 4.19Å; L233-Y237 WeakPolarHBondContact O-CD2 3.34Å; L233-Y237 PolarHBondContact O-N 3.02Å; F234-Y237 PolarHBondContact O-N 3.32Å; Y237-A239 VanDerWaalsContact C-N 3.28Å; Y237-A239 PolarHBondContact O-N 3.42Å; Y237-I240 HydrophobicContact CD1-CD1 4.32Å; Y237-I240 PolarHBondContact O-N 2.84Å; Y237-V241 WeakPolarHBondContact O-CG2 3.36Å; Y237-V241 PolarHBondContact O-N 3Å |
| 238 | L | 88.6 | Confident | 85.6 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.8 | -39 | 171.7 | -179.7 | 62.4 | 0 | 0 | 0 | 111.6 | F234 I235 V241 L242 | F234-L238 WeakPolarHBondContact O-CB 3.22Å; F234-L238 PolarHBondContact O-N 2.86Å; I235-L238 PolarHBondContact O-N 2.8Å; L238-V241 PolarHBondContact O-N 2.84Å; L238-L242 HydrophobicContact CD1-CD1 3.91Å; L238-L242 HydrophobicContact CD1-CG 4.03Å; L238-L242 HydrophobicContact CG-CD1 3.87Å; L238-L242 HydrophobicContact CG-CG 4.36Å; L238-L242 WeakPolarHBondContact O-CB 3.35Å; L238-L242 VanDerWaalsContact O-CG 3.32Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.2Å |
| 239 | A | 86.4 | Confident | 84.8 | Confident | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L172 L191 I235 H236 Y237 V241 L242 L243 | L172-A239 HydrophobicContact CD1-CB 4.07Å; L191-A239 HydrophobicContact CD1-CB 3.65Å; L191-A239 HydrophobicContact CD2-CB 4.22Å; I235-A239 WeakPolarHBondContact O-CB 3.45Å; I235-A239 PolarHBondContact O-N 2.9Å; H236-A239 WeakPolarHBondContact O-CA 3.22Å; H236-A239 VanDerWaalsContact O-CB 3.31Å; H236-A239 WeakPolarHBondContact O-CB 3.48Å; H236-A239 PolarHBondContact O-N 3.24Å; H236-A239 VanDerWaalsContact O-N 3.13Å; Y237-A239 VanDerWaalsContact C-N 3.28Å; Y237-A239 PolarHBondContact O-N 3.42Å; A239-V241 VanDerWaalsContact C-N 3.33Å; A239-V241 PolarHBondContact O-N 2.93Å; A239-L242 PolarHBondContact O-N 3.33Å; A239-L243 HydrophobicContact CB-CD1 4.38Å; A239-L243 WeakPolarHBondContact O-CB 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.38Å; A239-L243 PolarHBondContact O-N 3.43Å |
| 240 | I | 85.8 | Confident | 84.1 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.8 | -65.8 | 167.2 | 0 | 0 | 0 | 110.9 | L172 H236 Y237 E244 L245 | L172-I240 HydrophobicContact CD1-CG1 4.15Å; L172-I240 HydrophobicContact CD2-CG1 4.49Å; H236-I240 PolarHBondContact O-N 3.35Å; Y237-I240 HydrophobicContact CD1-CD1 4.32Å; Y237-I240 PolarHBondContact O-N 2.84Å; I240-E244 PolarHBondContact O-N 3Å; I240-L245 HydrophobicContact CG2-CD1 4.38Å; I240-L245 PolarHBondContact O-N 2.75Å |
| 241 | V | 83.8 | Confident | 83.7 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -62.1 | -47 | 179.3 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | Y237 L238 A239 L245 R246 | Y237-V241 WeakPolarHBondContact O-CG2 3.36Å; Y237-V241 PolarHBondContact O-N 3Å; L238-V241 PolarHBondContact O-N 2.84Å; A239-V241 VanDerWaalsContact C-N 3.33Å; A239-V241 PolarHBondContact O-N 2.93Å; V241-L245 HydrophobicContact CB-CD1 4.46Å; V241-L245 HydrophobicContact CG2-CD1 3.89Å; V241-R246 PolarHBondContact O-N 3.39Å |
| 242 | L | 79.6 | Confident | 83.6 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -75.6 | -33.5 | -177.4 | -67.5 | 176.1 | 0 | 0 | 0 | 113.7 | F187 L238 A239 | F187-L242 HydrophobicContact CD1-CD1 4.39Å; L238-L242 HydrophobicContact CD1-CD1 3.91Å; L238-L242 HydrophobicContact CD1-CG 4.03Å; L238-L242 HydrophobicContact CG-CD1 3.87Å; L238-L242 HydrophobicContact CG-CG 4.36Å; L238-L242 WeakPolarHBondContact O-CB 3.35Å; L238-L242 VanDerWaalsContact O-CG 3.32Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.2Å; A239-L242 PolarHBondContact O-N 3.33Å |
| 243 | L | 78.3 | Confident | 83.6 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -95.6 | -29.3 | -171.9 | -59.6 | -176.9 | 0 | 0 | 0 | 114.4 | F185 F187 R188 L191 A239 Q247 | F185-L243 HydrophobicContact CD1-CD2 3.83Å; F185-L243 HydrophobicContact CE1-CD2 3.58Å; F187-L243 HydrophobicContact CB-CD2 4.18Å; R188-L243 HydrophobicContact CG-CD1 3.97Å; R188-L243 HydrophobicContact CG-CD2 3.95Å; L191-L243 HydrophobicContact CD1-CD1 4.2Å; L191-L243 HydrophobicContact CD1-CD2 4.42Å; L191-L243 HydrophobicContact CD1-CG 4.24Å; A239-L243 HydrophobicContact CB-CD1 4.38Å; A239-L243 WeakPolarHBondContact O-CB 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.38Å; A239-L243 PolarHBondContact O-N 3.43Å; L243-Q247 VanDerWaalsContact O-CD 3.24Å; L243-Q247 PolarHBondContact O-NE2 3.13Å; L243-Q247 PolarHBondContact O-OE1 2.96Å |
| 244 | E | 77.3 | Confident | 83.7 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -117.1 | -61.3 | -176.9 | -60.3 | -66.5 | 145.5 | 0 | 0 | 111.5 | L172 I240 R246 Q247 | L172-E244 HydrophobicContact CD2-CG 4.31Å; I240-E244 PolarHBondContact O-N 3Å; E244-R246 PolarHBondContact O-N 3.25Å; E244-Q247 PolarHBondContact O-N 3.43Å; E244-Q247 VanDerWaalsContact O-N 3.09Å |
| 245 | L | 75.1 | Confident | 83.8 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -58.9 | -42.2 | -171 | -77.9 | 160.9 | 0 | 0 | 0 | 113.6 | I240 V241 Q247 L248 | I240-L245 HydrophobicContact CG2-CD1 4.38Å; I240-L245 PolarHBondContact O-N 2.75Å; V241-L245 HydrophobicContact CB-CD1 4.46Å; V241-L245 HydrophobicContact CG2-CD1 3.89Å; L245-Q247 PolarHBondContact O-N 3.19Å; L245-Q247 VanDerWaalsContact O-N 3.08Å; L245-L248 HydrophobicContact CD2-CD1 4.47Å; L245-L248 PolarHBondContact O-N 3.23Å |
| 246 | R | 71.6 | Confident | 84 | Confident | 117 Ų | 117 | 57.5 Ų | 57.5 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.6 | -21.3 | -179.8 | -171.1 | 177.8 | 179.1 | 174.5 | 4.4 | 114.2 | V241 E244 H271 | V241-R246 PolarHBondContact O-N 3.39Å; E244-R246 PolarHBondContact O-N 3.25Å; R246-H271 HydrophobicContact CG-CB 4.12Å |
| 247 | Q | 71.4 | Confident | 84.2 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -97.4 | -15.2 | -173.8 | -65.9 | 161.2 | 31.3 | 0 | 0 | 113.3 | L243 E244 L245 L272 | L243-Q247 VanDerWaalsContact O-CD 3.24Å; L243-Q247 PolarHBondContact O-NE2 3.13Å; L243-Q247 PolarHBondContact O-OE1 2.96Å; E244-Q247 PolarHBondContact O-N 3.43Å; E244-Q247 VanDerWaalsContact O-N 3.09Å; L245-Q247 PolarHBondContact O-N 3.19Å; L245-Q247 VanDerWaalsContact O-N 3.08Å; Q247-L272 HydrophobicContact CB-CD2 4.13Å; Q247-L272 HydrophobicContact CG-CD2 3.7Å |
| 248 | L | 72.7 | Confident | 84.3 | Confident | 130 Ų | 130 | 53.4 Ų | 53.4 | 68% | 0.681 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75 | -25.9 | -177.5 | -66.6 | 173.8 | 0 | 0 | 0 | 113.4 | L245 P250 | L245-L248 HydrophobicContact CD2-CD1 4.47Å; L245-L248 PolarHBondContact O-N 3.23Å; L248-P250 WeakPolarHBondContact O-CD 3.43Å |
| 249 | Q | 76.3 | Confident | 84.3 | Confident | 142 Ų | 142 | 52.7 Ų | 52.7 | 66% | 0.664 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -80.5 | 115.1 | 176.1 | -70.1 | -174.3 | -16.6 | 0 | 0 | 110.2 | M251 G270 | Q249-M251 PolarHBondContact O-N 2.89Å; Q249-G270 WeakPolarHBondContact O-CA 3.12Å |
| 250 | P | 80.8 | Confident | 84.2 | Confident | 81 Ų | 81 | 54.4 Ų | 54.4 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | trans | -68.3 | 125.5 | 175.8 | 28.8 | -33.4 | 0 | 0 | 0 | 109.9 | L248 I499 | L248-P250 WeakPolarHBondContact O-CD 3.43Å; P250-I499 HydrophobicContact CB-CD1 4.11Å | ||
| 251 | M | 85.6 | Confident | 84 | Confident | 59 Ų | 59 | 55 Ų | 55 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | trans | -123.8 | -19.1 | 176.1 | -176 | 169.3 | -64.3 | 0 | 0 | 112.6 | Q249 L269 H271 K498 I499 | Q249-M251 PolarHBondContact O-N 2.89Å; M251-L269 PolarHBondContact N-O 3.43Å; M251-H271 WeakPolarHBondContact CE-NE2 3.41Å; M251-H271 PolarHBondContact SD-CE1 3.12Å; M251-H271 PolarHBondContact SD-NE2 2.98Å; M251-K498 HydrophobicContact CG-CG 4.28Å; M251-I499 PolarHBondContact O-N 3.4Å | ||
| 252 | F | 91.3 | Very high | 84.1 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.7 | -178.2 | -56.5 | -80.6 | 0 | 0 | 0 | 110.9 | L254 S268 L269 H271 L477 V496 K497 K498 | F252-L254 HydrophobicContact CB-CD1 4.38Å; F252-S268 CarbonylContact O-C 3.6Å; F252-S268 WeakPolarHBondContact O-CA 3.42Å; F252-L269 PolarHBondContact N-O 3.35Å; F252-L269 PolarHBondContact O-N 3.37Å; F252-H271 AromaticContact CE2-ND1 3.92Å; F252-L477 HydrophobicContact CB-CD1 4.4Å; F252-L477 HydrophobicContact CD2-CB 3.88Å; F252-L477 HydrophobicContact CD2-CD1 4.13Å; F252-L477 HydrophobicContact CE2-CB 3.88Å; F252-L477 HydrophobicContact CG-CB 4.21Å; F252-L477 HydrophobicContact CG-CD1 4.39Å; F252-L477 HydrophobicContact CZ-CB 4.21Å; F252-L477 WeakPolarHBondContact CZ-O 3.38Å; F252-V496 HydrophobicContact CB-CG1 4.04Å; F252-V496 HydrophobicContact CD1-CG1 3.86Å; F252-V496 HydrophobicContact CG-CG1 4.14Å; F252-K497 CarbonylContact C-O 3.57Å; F252-K497 VanDerWaalsContact CA-O 3.28Å; F252-K497 WeakPolarHBondContact CA-O 3.46Å; F252-K498 HydrophobicContact CD1-CB 4.26Å; F252-K498 HydrophobicContact CE1-CB 4.28Å; F252-K498 HydrophobicContact CE1-CG 4.4Å |
| 253 | T | 93.4 | Very high | 84.6 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.27 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.9 | 165.4 | -56.8 | 0 | 0 | 0 | 0 | 108 | F266 Y267 K497 I499 | T253-F266 HydrophobicContact CG2-CB 4.28Å; T253-F266 HydrophobicContact CG2-CD1 4.2Å; T253-Y267 CarbonylContact C-O 3.6Å; T253-Y267 WeakPolarHBondContact CA-O 3.21Å; T253-K497 PolarHBondContact N-O 3.14Å; T253-K497 PolarHBondContact O-N 3.12Å; T253-I499 WeakPolarHBondContact OG1-CG1 3.44Å |
| 254 | L | 94.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123 | 176.7 | -60.9 | 87.2 | 0 | 0 | 0 | 108.6 | F252 F266 Y267 L269 A277 V281 L477 F483 V494 N495 V496 | F252-L254 HydrophobicContact CB-CD1 4.38Å; L254-F266 WeakPolarHBondContact O-CA 3.48Å; L254-Y267 PolarHBondContact N-O 3.41Å; L254-Y267 PolarHBondContact O-N 3.26Å; L254-L269 HydrophobicContact CD1-CB 3.74Å; L254-L269 HydrophobicContact CD1-CD1 3.49Å; L254-L269 VanDerWaalsContact CD1-CD1 3.49Å; L254-L269 HydrophobicContact CD1-CG 3.56Å; L254-L269 HydrophobicContact CD2-CD1 4.05Å; L254-L269 HydrophobicContact CG-CD1 4.44Å; L254-A277 HydrophobicContact CD2-CB 4.33Å; L254-V281 HydrophobicContact CD2-CG2 4.38Å; L254-L477 HydrophobicContact CD1-CD1 4.38Å; L254-L477 HydrophobicContact CD2-CD1 4.42Å; L254-F483 HydrophobicContact CD2-CE1 4Å; L254-F483 HydrophobicContact CD2-CZ 4.09Å; L254-V494 HydrophobicContact CB-CG1 3.9Å; L254-V494 HydrophobicContact CD2-CG1 3.65Å; L254-V494 HydrophobicContact CG-CG1 4.29Å; L254-N495 CarbonylContact C-O 3.48Å; L254-N495 WeakPolarHBondContact CA-O 3.36Å; L254-V496 HydrophobicContact CD2-CG2 3.99Å; L254-V496 HydrophobicContact CG-CG2 4.18Å |
| 255 | Q | 95.6 | Very high | 86 | Confident | 61 Ų | 61 | 57 Ų | 57 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112 | 166.6 | -176.9 | 179.5 | 4.5 | 0 | 0 | 107.9 | V257 F266 V494 N495 | Q255-V257 HydrophobicContact CG-CG2 3.93Å; Q255-F266 HydrophobicContact CB-CD1 3.88Å; Q255-F266 HydrophobicContact CB-CE1 3.63Å; Q255-F266 HydrophobicContact CG-CD1 4.1Å; Q255-F266 HydrophobicContact CG-CE1 3.51Å; Q255-F266 HydrophobicContact CG-CZ 3.89Å; Q255-V494 WeakPolarHBondContact O-CA 3.36Å; Q255-N495 HydrophobicContact CB-CB 4.45Å; Q255-N495 PolarHBondContact N-O 3.02Å; Q255-N495 PolarHBondContact O-N 2.83Å |
| 256 | V | 95.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.5 | 176.2 | -178 | 0 | 0 | 0 | 0 | 107.5 | S264 R265 Y267 V281 F289 L492 V494 | V256-S264 CarbonylContact O-C 3.5Å; V256-S264 WeakPolarHBondContact O-CA 3.42Å; V256-S264 WeakPolarHBondContact O-CB 3.13Å; V256-R265 PolarHBondContact N-O 2.97Å; V256-R265 PolarHBondContact O-N 2.84Å; V256-Y267 HydrophobicContact CB-CD2 4.41Å; V256-Y267 HydrophobicContact CB-CE2 4.18Å; V256-Y267 HydrophobicContact CG2-CD2 3.64Å; V256-Y267 HydrophobicContact CG2-CE2 3.82Å; V256-V281 HydrophobicContact CB-CG1 4.41Å; V256-V281 HydrophobicContact CG1-CG1 3.81Å; V256-V281 HydrophobicContact CG2-CB 4.38Å; V256-V281 HydrophobicContact CG2-CG1 3.65Å; V256-V281 HydrophobicContact CG2-CG2 3.81Å; V256-F289 HydrophobicContact CB-CE2 4.48Å; V256-F289 HydrophobicContact CB-CZ 4.05Å; V256-F289 HydrophobicContact CG1-CE2 4.17Å; V256-F289 HydrophobicContact CG1-CZ 3.69Å; V256-L492 HydrophobicContact CG1-CB 4.04Å; V256-L492 HydrophobicContact CG1-CD1 4.37Å; V256-L492 HydrophobicContact CG1-CD2 4.46Å; V256-V494 HydrophobicContact CG1-CG2 4.35Å; V256-V494 HydrophobicContact CG2-CG1 4.03Å; V256-V494 HydrophobicContact CG2-CG2 4.16Å |
| 257 | V | 94.7 | Very high | 87.9 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.6 | -179.5 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | Q255 E263 L492 V493 | Q255-V257 HydrophobicContact CG-CG2 3.93Å; V257-E263 WeakPolarHBondContact CA-O 3.38Å; V257-L492 CarbonylContact O-C 3.56Å; V257-L492 WeakPolarHBondContact O-CA 3.36Å; V257-V493 PolarHBondContact N-O 3Å; V257-V493 PolarHBondContact O-N 3.21Å |
| 258 | R | 91.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.7 | 171.7 | 179.9 | 161.3 | 62 | -153.3 | -0.8 | 109.9 | T260 D261 G262 E263 Y285 F289 T290 F490 L492 | R258-T260 PolarHBondContact O-N 3.02Å; R258-D261 WeakPolarHBondContact CB-OD1 3.19Å; R258-D261 WeakPolarHBondContact CG-OD1 3.42Å; R258-D261 IonicContact CZ-OD1 3.96Å; R258-D261 IonicContact CZ-OD2 3.84Å; R258-D261 VanDerWaalsContact NE-CG 3.33Å; R258-D261 IonicContact NE-OD1 3.92Å; R258-D261 PolarHBondContact NE-OD1 3.45Å; R258-D261 IonicContact NE-OD2 2.83Å; R258-D261 PolarHBondContact NE-OD2 2.69Å; R258-D261 IonicContact NH2-OD1 3.18Å; R258-D261 IonicContact NH2-OD2 2.69Å; R258-D261 PolarHBondContact NH2-OD2 3.3Å; R258-G262 WeakPolarHBondContact O-CA 3.49Å; R258-G262 PolarHBondContact O-N 2.87Å; R258-E263 IonicContact CZ-OE2 3.47Å; R258-E263 PolarHBondContact N-O 3.36Å; R258-E263 IonicContact NH2-OE2 3.07Å; R258-E263 PolarHBondContact NH2-OE2 2.89Å; R258-Y285 PolarHBondContact NH1-OH 3.29Å; R258-F289 HydrophobicContact CB-CE1 4.33Å; R258-T290 PolarHBondContact NH1-O 2.92Å; R258-T290 PolarHBondContact NH2-O 3.02Å; R258-T290 PolarHBondContact NH2-OG1 3.04Å; R258-F490 HydrophobicContact CG-CD2 3.74Å; R258-F490 HydrophobicContact CG-CE2 4.18Å; R258-F490 HydrophobicContact CG-CG 4.43Å; R258-L492 HydrophobicContact CB-CD2 3.88Å; R258-L492 HydrophobicContact CG-CD2 4.27Å |
| 259 | S | 88.9 | Confident | 89.7 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.2 | -168.3 | 59.9 | 0 | 0 | 0 | 0 | 115.4 | S491 | S259-S491 WeakPolarHBondContact CB-O 3.38Å; S259-S491 VanDerWaalsContact CB-OG 3.32Å; S259-S491 WeakPolarHBondContact CB-OG 3.37Å; S259-S491 PolarHBondContact N-O 3.33Å; S259-S491 PolarHBondContact OG-N 2.95Å; S259-S491 PolarHBondContact OG-O 3.3Å; S259-S491 PolarHBondContact OG-OG 3.49Å |
| 260 | T | 83.9 | Confident | 90.2 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -39.4 | -173.7 | 43.5 | 0 | 0 | 0 | 0 | 113.7 | R258 Y292 L297 F490 | R258-T260 PolarHBondContact O-N 3.02Å; T260-Y292 HydrophobicContact CG2-CE2 4.11Å; T260-Y292 WeakPolarHBondContact OG1-CE2 3.35Å; T260-L297 VanDerWaalsContact O-CD1 3.25Å; T260-L297 WeakPolarHBondContact O-CD1 3.4Å; T260-L297 WeakPolarHBondContact O-CD2 3.17Å; T260-F490 HydrophobicContact CG2-CB 3.51Å |
| 261 | D | 82.8 | Confident | 90.3 | Very high | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -8.6 | -177.6 | 66.4 | -16.9 | 0 | 0 | 0 | 114.4 | R258 E263 L297 | R258-D261 WeakPolarHBondContact CB-OD1 3.19Å; R258-D261 WeakPolarHBondContact CG-OD1 3.42Å; R258-D261 IonicContact CZ-OD1 3.96Å; R258-D261 IonicContact CZ-OD2 3.84Å; R258-D261 VanDerWaalsContact NE-CG 3.33Å; R258-D261 IonicContact NE-OD1 3.92Å; R258-D261 PolarHBondContact NE-OD1 3.45Å; R258-D261 IonicContact NE-OD2 2.83Å; R258-D261 PolarHBondContact NE-OD2 2.69Å; R258-D261 IonicContact NH2-OD1 3.18Å; R258-D261 IonicContact NH2-OD2 2.69Å; R258-D261 PolarHBondContact NH2-OD2 3.3Å; D261-E263 VanDerWaalsContact C-N 3.3Å; D261-E263 PolarHBondContact O-N 3.37Å; D261-E263 PolarHBondContact OD1-N 3.31Å; D261-L297 HydrophobicContact CB-CD1 4.45Å; D261-L297 HydrophobicContact CB-CD2 4.03Å |
| 262 | G | 85.9 | Confident | 90.2 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 45% | 0.454 | 23% | 0.234 | S | C | . | . | trans | 75 | 11.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | R258 S264 | R258-G262 WeakPolarHBondContact O-CA 3.49Å; R258-G262 PolarHBondContact O-N 2.87Å; G262-S264 PolarHBondContact O-N 2.96Å | ||
| 263 | E | 88.3 | Confident | 90.1 | Very high | 30 Ų | 30 | 42 Ų | 42 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | trans | -57.2 | 129.2 | 170.7 | -172.8 | 179.5 | 176.3 | 0 | 0 | 108.2 | V257 R258 D261 R265 F289 T290 | V257-E263 WeakPolarHBondContact CA-O 3.38Å; R258-E263 IonicContact CZ-OE2 3.47Å; R258-E263 PolarHBondContact N-O 3.36Å; R258-E263 IonicContact NH2-OE2 3.07Å; R258-E263 PolarHBondContact NH2-OE2 2.89Å; D261-E263 VanDerWaalsContact C-N 3.3Å; D261-E263 PolarHBondContact O-N 3.37Å; D261-E263 PolarHBondContact OD1-N 3.31Å; E263-R265 IonicContact OE1-CZ 2.73Å; E263-R265 IonicContact OE1-NE 3.47Å; E263-R265 PolarHBondContact OE1-NE 3.39Å; E263-R265 IonicContact OE1-NH2 3Å; E263-R265 PolarHBondContact OE1-NH2 3.45Å; E263-F289 HydrophobicContact CB-CD1 4.22Å; E263-F289 HydrophobicContact CB-CE1 4.35Å; E263-F289 HydrophobicContact CG-CD1 3.96Å; E263-F289 HydrophobicContact CG-CE1 4.21Å; E263-F289 WeakPolarHBondContact O-CE1 3.14Å; E263-T290 PolarHBondContact OE1-N 3.5Å; E263-T290 WeakPolarHBondContact OE2-CB 3.37Å; E263-T290 PolarHBondContact OE2-N 3.4Å; E263-T290 PolarHBondContact OE2-OG1 3.5Å | ||
| 264 | S | 92.8 | Very high | 89.9 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142 | -178.2 | 67.9 | 0 | 0 | 0 | 0 | 113 | V256 G262 | V256-S264 CarbonylContact O-C 3.5Å; V256-S264 WeakPolarHBondContact O-CA 3.42Å; V256-S264 WeakPolarHBondContact O-CB 3.13Å; G262-S264 PolarHBondContact O-N 2.96Å |
| 265 | R | 93.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 41 Ų | 41 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.7 | 176.9 | -60 | -63.9 | 177.5 | 137.6 | 4.4 | 109.9 | V256 E263 Y267 D288 F289 | V256-R265 PolarHBondContact N-O 2.97Å; V256-R265 PolarHBondContact O-N 2.84Å; E263-R265 IonicContact OE1-CZ 2.73Å; E263-R265 IonicContact OE1-NE 3.47Å; E263-R265 PolarHBondContact OE1-NE 3.39Å; E263-R265 IonicContact OE1-NH2 3Å; E263-R265 PolarHBondContact OE1-NH2 3.45Å; R265-Y267 HydrophobicContact CB-CE2 3.88Å; R265-D288 PolarHBondContact NH2-O 3.17Å; R265-F289 HydrophobicContact CB-CD2 4.46Å; R265-F289 HydrophobicContact CB-CE2 3.65Å; R265-F289 HydrophobicContact CB-CZ 3.88Å; R265-F289 HydrophobicContact CG-CD2 3.79Å; R265-F289 HydrophobicContact CG-CE1 4.3Å; R265-F289 HydrophobicContact CG-CE2 3.41Å; R265-F289 VanDerWaalsContact CG-CE2 3.41Å; R265-F289 HydrophobicContact CG-CG 4.41Å; R265-F289 HydrophobicContact CG-CZ 3.69Å |
| 266 | F | 93.9 | Very high | 89.2 | Confident | 131 Ų | 131 | 42.2 Ų | 42.2 | 58% | 0.575 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133 | 179.9 | -63.9 | -89.1 | 0 | 0 | 0 | 110.1 | T253 L254 Q255 | T253-F266 HydrophobicContact CG2-CB 4.28Å; T253-F266 HydrophobicContact CG2-CD1 4.2Å; L254-F266 WeakPolarHBondContact O-CA 3.48Å; Q255-F266 HydrophobicContact CB-CD1 3.88Å; Q255-F266 HydrophobicContact CB-CE1 3.63Å; Q255-F266 HydrophobicContact CG-CD1 4.1Å; Q255-F266 HydrophobicContact CG-CE1 3.51Å; Q255-F266 HydrophobicContact CG-CZ 3.89Å |
| 267 | Y | 93.3 | Very high | 88.9 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.2 | -179.4 | -59.4 | -64.4 | 0 | 0 | 0 | 111.3 | T253 L254 V256 R265 N284 D288 F289 | T253-Y267 CarbonylContact C-O 3.6Å; T253-Y267 WeakPolarHBondContact CA-O 3.21Å; L254-Y267 PolarHBondContact N-O 3.41Å; L254-Y267 PolarHBondContact O-N 3.26Å; V256-Y267 HydrophobicContact CB-CD2 4.41Å; V256-Y267 HydrophobicContact CB-CE2 4.18Å; V256-Y267 HydrophobicContact CG2-CD2 3.64Å; V256-Y267 HydrophobicContact CG2-CE2 3.82Å; R265-Y267 HydrophobicContact CB-CE2 3.88Å; Y267-N284 HydrophobicContact CD1-CB 4.14Å; Y267-N284 WeakPolarHBondContact CD1-ND2 3.47Å; Y267-N284 HydrophobicContact CE1-CB 3.53Å; Y267-N284 HydrophobicContact CE2-CB 4.08Å; Y267-N284 VanDerWaalsContact CZ-CB 3.48Å; Y267-N284 PolarHBondContact OH-O 2.96Å; Y267-D288 VanDerWaalsContact CE1-OD2 3.29Å; Y267-D288 WeakPolarHBondContact CE1-OD2 3.39Å; Y267-D288 PolarHBondContact OH-OD2 3.4Å; Y267-F289 HydrophobicContact CE2-CE2 4.22Å; Y267-F289 WeakPolarHBondContact OH-CE2 3.33Å |
| 268 | S | 91.5 | Very high | 88.8 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.7 | 175 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | F252 | F252-S268 CarbonylContact O-C 3.6Å; F252-S268 WeakPolarHBondContact O-CA 3.42Å |
| 269 | L | 90 | Very high | 88.7 | Confident | 18 Ų | 18 | 42.5 Ų | 42.5 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.4 | 178.3 | -60.8 | -178.6 | 0 | 0 | 0 | 111.5 | M251 F252 L254 L272 A277 V280 | M251-L269 PolarHBondContact N-O 3.43Å; F252-L269 PolarHBondContact N-O 3.35Å; F252-L269 PolarHBondContact O-N 3.37Å; L254-L269 HydrophobicContact CD1-CB 3.74Å; L254-L269 HydrophobicContact CD1-CD1 3.49Å; L254-L269 VanDerWaalsContact CD1-CD1 3.49Å; L254-L269 HydrophobicContact CD1-CG 3.56Å; L254-L269 HydrophobicContact CD2-CD1 4.05Å; L254-L269 HydrophobicContact CG-CD1 4.44Å; L269-L272 HydrophobicContact CB-CD1 4.13Å; L269-L272 HydrophobicContact CD1-CD1 4.02Å; L269-L272 HydrophobicContact CD2-CD1 4.19Å; L269-L272 HydrophobicContact CG-CD1 4.34Å; L269-A277 HydrophobicContact CD1-CB 3.92Å; L269-V280 HydrophobicContact CD1-CB 4.49Å; L269-V280 HydrophobicContact CD2-CB 4.33Å; L269-V280 HydrophobicContact CD2-CG1 3.68Å |
| 270 | G | 86.1 | Confident | 88.7 | Confident | 4 Ų | 4 | 41 Ų | 41 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | trans | -84 | -158.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q249 L272 | Q249-G270 WeakPolarHBondContact O-CA 3.12Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3.19Å | ||
| 271 | H | 82.9 | Confident | 89.1 | Confident | 63 Ų | 63 | 39 Ų | 39 | 29% | 0.292 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -71.8 | 82.3 | 177.9 | -72.5 | -70.9 | 0 | 0 | 0 | 112.5 | R246 M251 F252 | R246-H271 HydrophobicContact CG-CB 4.12Å; M251-H271 WeakPolarHBondContact CE-NE2 3.41Å; M251-H271 PolarHBondContact SD-CE1 3.12Å; M251-H271 PolarHBondContact SD-NE2 2.98Å; F252-H271 AromaticContact CE2-ND1 3.92Å |
| 272 | L | 85 | Confident | 89.4 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | trans | -103.7 | 161.4 | 172.8 | -62.6 | 173 | 0 | 0 | 0 | 110.8 | Q247 L269 G270 R276 A277 V280 G476 L477 | Q247-L272 HydrophobicContact CB-CD2 4.13Å; Q247-L272 HydrophobicContact CG-CD2 3.7Å; L269-L272 HydrophobicContact CB-CD1 4.13Å; L269-L272 HydrophobicContact CD1-CD1 4.02Å; L269-L272 HydrophobicContact CD2-CD1 4.19Å; L269-L272 HydrophobicContact CG-CD1 4.34Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3.19Å; L272-R276 HydrophobicContact CB-CB 4.46Å; L272-R276 HydrophobicContact CD2-CG 4.02Å; L272-A277 HydrophobicContact CB-CB 4.37Å; L272-V280 HydrophobicContact CD1-CG2 4.43Å; L272-G476 CarbonylContact O-C 3.55Å; L272-G476 WeakPolarHBondContact O-CA 3.49Å; L272-L477 PolarHBondContact O-N 3.06Å | ||
| 273 | S | 87.9 | Confident | 89.5 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -75.9 | 157.2 | 163.1 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | Q275 R276 A277 N475 | S273-Q275 PolarHBondContact O-N 2.7Å; S273-R276 PolarHBondContact O-N 3.36Å; S273-R276 PolarHBondContact OG-N 3.03Å; S273-A277 WeakPolarHBondContact O-CB 3.37Å; S273-A277 PolarHBondContact O-N 2.78Å; S273-N475 CarbonylContact C-O 3.6Å; S273-N475 WeakPolarHBondContact CA-O 3.46Å; S273-N475 WeakPolarHBondContact CB-O 3.47Å |
| 274 | I | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52.2 | -44.3 | 175.6 | -59.3 | 167.2 | 0 | 0 | 0 | 110.2 | R276 A277 A278 L467 E471 N475 L477 I481 F483 | I274-R276 PolarHBondContact O-N 3.43Å; I274-A277 PolarHBondContact O-N 2.98Å; I274-A278 VanDerWaalsContact O-CB 3.3Å; I274-A278 WeakPolarHBondContact O-CB 3.35Å; I274-A278 PolarHBondContact O-N 2.99Å; I274-L467 HydrophobicContact CG2-CD1 4.3Å; I274-L467 HydrophobicContact CG2-CD2 4.37Å; I274-E471 HydrophobicContact CD1-CB 3.94Å; I274-N475 PolarHBondContact N-O 3.48Å; I274-L477 HydrophobicContact CG1-CD2 4.3Å; I274-I481 HydrophobicContact CD1-CD1 4.14Å; I274-I481 HydrophobicContact CD1-CG2 4.33Å; I274-I481 HydrophobicContact CG1-CD1 4.44Å; I274-F483 HydrophobicContact CG2-CB 4.02Å; I274-F483 HydrophobicContact CG2-CD1 3.82Å; I274-F483 HydrophobicContact CG2-CD2 4.29Å; I274-F483 HydrophobicContact CG2-CE1 4.3Å; I274-F483 HydrophobicContact CG2-CG 3.8Å |
| 275 | Q | 88.8 | Confident | 89.3 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 176.5 | -174.4 | 175.8 | 8 | 0 | 0 | 114.2 | V181 P182 S273 L279 L467 V473 | V181-Q275 HydrophobicContact CG1-CG 4.21Å; P182-Q275 VanDerWaalsContact CD-NE2 3.31Å; S273-Q275 PolarHBondContact O-N 2.7Å; Q275-L279 PolarHBondContact O-N 2.87Å; Q275-L467 HydrophobicContact CB-CD2 4.27Å; Q275-V473 HydrophobicContact CB-CB 4.33Å; Q275-V473 WeakPolarHBondContact CB-O 3.43Å; Q275-V473 PolarHBondContact N-O 3.34Å |
| 276 | R | 86.1 | Confident | 88.9 | Confident | 87 Ų | 87 | 34.4 Ų | 34.4 | 33% | 0.328 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -81.6 | -33.7 | 179.4 | -170.3 | 168.3 | 173.5 | -173.4 | -5.6 | 111.9 | L272 S273 I274 A278 L279 V280 | L272-R276 HydrophobicContact CB-CB 4.46Å; L272-R276 HydrophobicContact CD2-CG 4.02Å; S273-R276 PolarHBondContact O-N 3.36Å; S273-R276 PolarHBondContact OG-N 3.03Å; I274-R276 PolarHBondContact O-N 3.43Å; R276-A278 VanDerWaalsContact C-N 3.33Å; R276-L279 PolarHBondContact O-N 3.49Å; R276-V280 PolarHBondContact O-N 3.02Å |
| 277 | A | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L254 L269 L272 S273 I274 L279 V280 V281 L477 F483 | L254-A277 HydrophobicContact CD2-CB 4.33Å; L269-A277 HydrophobicContact CD1-CB 3.92Å; L272-A277 HydrophobicContact CB-CB 4.37Å; S273-A277 WeakPolarHBondContact O-CB 3.37Å; S273-A277 PolarHBondContact O-N 2.78Å; I274-A277 PolarHBondContact O-N 2.98Å; A277-L279 PolarHBondContact O-N 3.15Å; A277-V280 PolarHBondContact O-N 2.98Å; A277-V281 WeakPolarHBondContact O-CG2 3.5Å; A277-V281 PolarHBondContact O-N 2.94Å; A277-L477 HydrophobicContact CB-CD1 3.87Å; A277-L477 HydrophobicContact CB-CD2 3.9Å; A277-L477 HydrophobicContact CB-CG 4.14Å; A277-F483 HydrophobicContact CB-CZ 4.34Å |
| 278 | A | 91.5 | Very high | 88 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.8 | -46 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I274 R276 V281 L282 L467 F483 L485 | I274-A278 VanDerWaalsContact O-CB 3.3Å; I274-A278 WeakPolarHBondContact O-CB 3.35Å; I274-A278 PolarHBondContact O-N 2.99Å; R276-A278 VanDerWaalsContact C-N 3.33Å; A278-V281 WeakPolarHBondContact O-CB 3.37Å; A278-V281 PolarHBondContact O-N 2.94Å; A278-L282 WeakPolarHBondContact O-CG 3.31Å; A278-L282 PolarHBondContact O-N 2.86Å; A278-L467 HydrophobicContact CB-CD1 4.1Å; A278-L467 HydrophobicContact CB-CD2 4.06Å; A278-F483 HydrophobicContact CB-CE2 3.92Å; A278-L485 HydrophobicContact CB-CD1 4.25Å; A278-L485 HydrophobicContact CB-CD2 3.78Å; A278-L485 HydrophobicContact CB-CG 4.42Å |
| 279 | L | 89.2 | Confident | 87.8 | Confident | 42 Ų | 42 | 31.4 Ų | 31.4 | 22% | 0.22 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 177 | -70.6 | 175 | 0 | 0 | 0 | 112.5 | A179 V181 Q275 R276 A277 V281 L282 E283 | A179-L279 HydrophobicContact CB-CD1 3.91Å; A179-L279 HydrophobicContact CB-CD2 3.84Å; A179-L279 HydrophobicContact CB-CG 4.4Å; V181-L279 HydrophobicContact CG1-CD1 3.45Å; V181-L279 VanDerWaalsContact CG1-CD1 3.45Å; Q275-L279 PolarHBondContact O-N 2.87Å; R276-L279 PolarHBondContact O-N 3.49Å; A277-L279 PolarHBondContact O-N 3.15Å; L279-V281 VanDerWaalsContact C-N 3.3Å; L279-V281 PolarHBondContact O-N 2.96Å; L279-L282 PolarHBondContact O-N 3.04Å; L279-L282 VanDerWaalsContact O-N 3.13Å; L279-E283 WeakPolarHBondContact O-CG 3.43Å; L279-E283 PolarHBondContact O-N 3.47Å |
| 280 | V | 89.4 | Confident | 87.5 | Confident | 33 Ų | 33 | 32.7 Ų | 32.7 | 20% | 0.2 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | L269 L272 R276 A277 L282 E283 N284 | L269-V280 HydrophobicContact CD1-CB 4.49Å; L269-V280 HydrophobicContact CD2-CB 4.33Å; L269-V280 HydrophobicContact CD2-CG1 3.68Å; L272-V280 HydrophobicContact CD1-CG2 4.43Å; R276-V280 PolarHBondContact O-N 3.02Å; A277-V280 PolarHBondContact O-N 2.98Å; V280-L282 VanDerWaalsContact C-N 3.35Å; V280-E283 PolarHBondContact O-N 3.29Å; V280-N284 WeakPolarHBondContact O-CB 3.23Å; V280-N284 PolarHBondContact O-N 3.12Å; V280-N284 PolarHBondContact O-ND2 3.33Å |
| 281 | V | 92.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 171.7 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | L254 V256 A277 A278 L279 Y285 L485 L492 V494 | L254-V281 HydrophobicContact CD2-CG2 4.38Å; V256-V281 HydrophobicContact CB-CG1 4.41Å; V256-V281 HydrophobicContact CG1-CG1 3.81Å; V256-V281 HydrophobicContact CG2-CB 4.38Å; V256-V281 HydrophobicContact CG2-CG1 3.65Å; V256-V281 HydrophobicContact CG2-CG2 3.81Å; A277-V281 WeakPolarHBondContact O-CG2 3.5Å; A277-V281 PolarHBondContact O-N 2.94Å; A278-V281 WeakPolarHBondContact O-CB 3.37Å; A278-V281 PolarHBondContact O-N 2.94Å; L279-V281 VanDerWaalsContact C-N 3.3Å; L279-V281 PolarHBondContact O-N 2.96Å; V281-Y285 VanDerWaalsContact O-CB 3.27Å; V281-Y285 WeakPolarHBondContact O-CB 3.35Å; V281-Y285 PolarHBondContact O-N 3.44Å; V281-L485 HydrophobicContact CB-CD1 4.14Å; V281-L485 HydrophobicContact CG1-CD1 3.72Å; V281-L492 HydrophobicContact CG1-CD1 4.47Å; V281-V494 HydrophobicContact CG1-CG2 4.09Å; V281-V494 HydrophobicContact CG2-CG1 4.4Å |
| 282 | L | 89.5 | Confident | 86.9 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.7 | -45.6 | 175.5 | -66.8 | 178.2 | 0 | 0 | 0 | 112.2 | A278 L279 V280 N284 Y285 Y286 W465 L485 L492 | A278-L282 WeakPolarHBondContact O-CG 3.31Å; A278-L282 PolarHBondContact O-N 2.86Å; L279-L282 PolarHBondContact O-N 3.04Å; L279-L282 VanDerWaalsContact O-N 3.13Å; V280-L282 VanDerWaalsContact C-N 3.35Å; L282-N284 VanDerWaalsContact C-N 3.28Å; L282-N284 PolarHBondContact O-N 2.83Å; L282-Y285 WeakPolarHBondContact O-CB 3.47Å; L282-Y285 PolarHBondContact O-N 3.14Å; L282-Y285 VanDerWaalsContact O-N 3.08Å; L282-Y286 WeakPolarHBondContact O-CD2 3.5Å; L282-Y286 PolarHBondContact O-N 3.05Å; L282-Y286 VanDerWaalsContact O-N 3.12Å; L282-W465 HydrophobicContact CD1-CB 3.74Å; L282-W465 HydrophobicContact CD1-CD2 4.29Å; L282-W465 HydrophobicContact CD1-CG 3.68Å; L282-W465 HydrophobicContact CD2-CB 4.43Å; L282-W465 HydrophobicContact CD2-CD2 3.38Å; L282-W465 VanDerWaalsContact CD2-CE2 3.48Å; L282-W465 HydrophobicContact CD2-CE3 3.75Å; L282-W465 HydrophobicContact CD2-CG 3.7Å; L282-W465 HydrophobicContact CD2-CH2 4.16Å; L282-W465 HydrophobicContact CD2-CZ2 3.88Å; L282-W465 HydrophobicContact CD2-CZ3 4.11Å; L282-W465 HydrophobicContact CG-CD2 4.49Å; L282-W465 HydrophobicContact CG-CG 4.36Å; L282-L485 HydrophobicContact CD1-CD2 4.39Å; L282-L485 HydrophobicContact CD2-CB 4.46Å; L282-L485 HydrophobicContact CD2-CD1 3.93Å; L282-L485 HydrophobicContact CG-CD1 4.04Å; L282-L492 HydrophobicContact CD2-CD1 4.28Å |
| 283 | E | 87.3 | Confident | 86.5 | Confident | 95 Ų | 95 | 31.6 Ų | 31.6 | 44% | 0.444 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -54.9 | -44.8 | 174.6 | -72.3 | -179.4 | 179.6 | 0 | 0 | 111.3 | L279 V280 | L279-E283 WeakPolarHBondContact O-CG 3.43Å; L279-E283 PolarHBondContact O-N 3.47Å; V280-E283 PolarHBondContact O-N 3.29Å |
| 284 | N | 88.7 | Confident | 85.9 | Confident | 36 Ų | 36 | 32.9 Ų | 32.9 | 19% | 0.193 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74.2 | -29.5 | 176.3 | -67.3 | -24.9 | 0 | 0 | 0 | 113.3 | Y267 V280 L282 K287 D288 | Y267-N284 HydrophobicContact CD1-CB 4.14Å; Y267-N284 WeakPolarHBondContact CD1-ND2 3.47Å; Y267-N284 HydrophobicContact CE1-CB 3.53Å; Y267-N284 HydrophobicContact CE2-CB 4.08Å; Y267-N284 VanDerWaalsContact CZ-CB 3.48Å; Y267-N284 PolarHBondContact OH-O 2.96Å; V280-N284 WeakPolarHBondContact O-CB 3.23Å; V280-N284 PolarHBondContact O-N 3.12Å; V280-N284 PolarHBondContact O-ND2 3.33Å; L282-N284 VanDerWaalsContact C-N 3.28Å; L282-N284 PolarHBondContact O-N 2.83Å; N284-K287 PolarHBondContact O-N 3.23Å; N284-D288 WeakPolarHBondContact O-CB 3.42Å; N284-D288 PolarHBondContact O-N 2.87Å |
| 285 | Y | 87.9 | Confident | 85.1 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -51.3 | 175.3 | 172.4 | -98.4 | 0 | 0 | 0 | 111 | R258 V281 L282 K287 F289 W465 F490 L492 | R258-Y285 PolarHBondContact NH1-OH 3.29Å; V281-Y285 VanDerWaalsContact O-CB 3.27Å; V281-Y285 WeakPolarHBondContact O-CB 3.35Å; V281-Y285 PolarHBondContact O-N 3.44Å; L282-Y285 WeakPolarHBondContact O-CB 3.47Å; L282-Y285 PolarHBondContact O-N 3.14Å; L282-Y285 VanDerWaalsContact O-N 3.08Å; Y285-K287 PolarHBondContact O-N 3.2Å; Y285-K287 VanDerWaalsContact O-N 3.16Å; Y285-F289 HydrophobicContact CD2-CB 3.65Å; Y285-F289 AromaticContact CD2-CD1 3.79Å; Y285-F289 HydrophobicContact CD2-CD1 3.79Å; Y285-F289 AromaticContact CD2-CD2 3.59Å; Y285-F289 HydrophobicContact CD2-CD2 3.59Å; Y285-F289 HydrophobicContact CD2-CE1 4.29Å; Y285-F289 HydrophobicContact CD2-CE2 4.11Å; Y285-F289 AromaticContact CD2-CG 3.4Å; Y285-F289 HydrophobicContact CD2-CG 3.4Å; Y285-F289 HydrophobicContact CD2-CZ 4.44Å; Y285-F289 HydrophobicContact CE2-CB 3.57Å; Y285-F289 AromaticContact CE2-CD1 3.72Å; Y285-F289 HydrophobicContact CE2-CD1 3.72Å; Y285-F289 HydrophobicContact CE2-CD2 4.29Å; Y285-F289 HydrophobicContact CE2-CE1 4.45Å; Y285-F289 AromaticContact CE2-CG 3.61Å; Y285-F289 HydrophobicContact CE2-CG 3.61Å; Y285-F289 HydrophobicContact CG-CB 4.48Å; Y285-F289 HydrophobicContact CG-CD2 4.37Å; Y285-F289 HydrophobicContact CG-CG 4.43Å; Y285-F289 WeakPolarHBondContact O-CB 3.33Å; Y285-F289 PolarHBondContact O-N 2.84Å; Y285-W465 HydrophobicContact CD1-CH2 4.44Å; Y285-W465 HydrophobicContact CD1-CZ2 4.05Å; Y285-W465 HydrophobicContact CE1-CH2 4.37Å; Y285-W465 HydrophobicContact CE1-CZ2 4.05Å; Y285-F490 HydrophobicContact CE1-CZ 4.2Å; Y285-F490 HydrophobicContact CE2-CE2 4.27Å; Y285-F490 AromaticContact CZ-CE2 3.92Å; Y285-F490 AromaticContact CZ-CZ 3.75Å; Y285-F490 WeakPolarHBondContact OH-CZ 3.26Å; Y285-L492 HydrophobicContact CD1-CD1 4.42Å; Y285-L492 HydrophobicContact CD2-CD1 3.57Å; Y285-L492 HydrophobicContact CD2-CD2 3.72Å; Y285-L492 HydrophobicContact CD2-CG 4.26Å; Y285-L492 HydrophobicContact CE2-CD1 4.25Å; Y285-L492 HydrophobicContact CE2-CD2 3.72Å; Y285-L492 HydrophobicContact CG-CD1 3.69Å |
| 286 | Y | 84.5 | Confident | 84.3 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 14% | 0.137 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -22.6 | 179.3 | -75.8 | -69.9 | 0 | 0 | 0 | 113.5 | L282 P451 T452 L453 S462 W465 | L282-Y286 WeakPolarHBondContact O-CD2 3.5Å; L282-Y286 PolarHBondContact O-N 3.05Å; L282-Y286 VanDerWaalsContact O-N 3.12Å; Y286-P451 WeakPolarHBondContact O-CB 3.43Å; Y286-T452 HydrophobicContact CD1-CG2 3.85Å; Y286-T452 HydrophobicContact CE1-CG2 4.06Å; Y286-T452 PolarHBondContact O-N 3.48Å; Y286-L453 WeakPolarHBondContact O-CD1 3.31Å; Y286-L453 WeakPolarHBondContact O-CG 3.48Å; Y286-L453 PolarHBondContact O-N 3.44Å; Y286-S462 PolarHBondContact OH-O 3.12Å; Y286-W465 AromaticContact CE2-NE1 3.87Å; Y286-W465 AromaticContact CZ-NE1 3.75Å; Y286-W465 PolarHBondContact OH-NE1 3.03Å |
| 287 | K | 83.6 | Confident | 83.3 | Confident | 124 Ų | 124 | 37.2 Ų | 37.2 | 54% | 0.539 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -96.3 | -34.6 | -177 | -175.8 | -170.8 | 155.1 | -93.7 | 0 | 115.1 | N284 Y285 P451 | N284-K287 PolarHBondContact O-N 3.23Å; Y285-K287 PolarHBondContact O-N 3.2Å; Y285-K287 VanDerWaalsContact O-N 3.16Å; K287-P451 VanDerWaalsContact O-CB 3.31Å; K287-P451 WeakPolarHBondContact O-CB 3.41Å |
| 288 | D | 86.2 | Confident | 82.2 | Confident | 42 Ų | 42 | 39.7 Ų | 39.7 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -119.1 | -18.6 | -167.8 | -54.7 | -39.3 | 0 | 0 | 0 | 114.4 | R265 Y267 N284 | R265-D288 PolarHBondContact NH2-O 3.17Å; Y267-D288 VanDerWaalsContact CE1-OD2 3.29Å; Y267-D288 WeakPolarHBondContact CE1-OD2 3.39Å; Y267-D288 PolarHBondContact OH-OD2 3.4Å; N284-D288 WeakPolarHBondContact O-CB 3.42Å; N284-D288 PolarHBondContact O-N 2.87Å |
| 289 | F | 86.4 | Confident | 81 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -87.9 | 143.8 | 177.3 | -79.5 | -113.6 | 0 | 0 | 0 | 111.5 | V256 R258 E263 R265 Y267 Y285 | V256-F289 HydrophobicContact CB-CE2 4.48Å; V256-F289 HydrophobicContact CB-CZ 4.05Å; V256-F289 HydrophobicContact CG1-CE2 4.17Å; V256-F289 HydrophobicContact CG1-CZ 3.69Å; R258-F289 HydrophobicContact CB-CE1 4.33Å; E263-F289 HydrophobicContact CB-CD1 4.22Å; E263-F289 HydrophobicContact CB-CE1 4.35Å; E263-F289 HydrophobicContact CG-CD1 3.96Å; E263-F289 HydrophobicContact CG-CE1 4.21Å; E263-F289 WeakPolarHBondContact O-CE1 3.14Å; R265-F289 HydrophobicContact CB-CD2 4.46Å; R265-F289 HydrophobicContact CB-CE2 3.65Å; R265-F289 HydrophobicContact CB-CZ 3.88Å; R265-F289 HydrophobicContact CG-CD2 3.79Å; R265-F289 HydrophobicContact CG-CE1 4.3Å; R265-F289 HydrophobicContact CG-CE2 3.41Å; R265-F289 VanDerWaalsContact CG-CE2 3.41Å; R265-F289 HydrophobicContact CG-CG 4.41Å; R265-F289 HydrophobicContact CG-CZ 3.69Å; Y267-F289 HydrophobicContact CE2-CE2 4.22Å; Y267-F289 WeakPolarHBondContact OH-CE2 3.33Å; Y285-F289 HydrophobicContact CD2-CB 3.65Å; Y285-F289 AromaticContact CD2-CD1 3.79Å; Y285-F289 HydrophobicContact CD2-CD1 3.79Å; Y285-F289 AromaticContact CD2-CD2 3.59Å; Y285-F289 HydrophobicContact CD2-CD2 3.59Å; Y285-F289 HydrophobicContact CD2-CE1 4.29Å; Y285-F289 HydrophobicContact CD2-CE2 4.11Å; Y285-F289 AromaticContact CD2-CG 3.4Å; Y285-F289 HydrophobicContact CD2-CG 3.4Å; Y285-F289 HydrophobicContact CD2-CZ 4.44Å; Y285-F289 HydrophobicContact CE2-CB 3.57Å; Y285-F289 AromaticContact CE2-CD1 3.72Å; Y285-F289 HydrophobicContact CE2-CD1 3.72Å; Y285-F289 HydrophobicContact CE2-CD2 4.29Å; Y285-F289 HydrophobicContact CE2-CE1 4.45Å; Y285-F289 AromaticContact CE2-CG 3.61Å; Y285-F289 HydrophobicContact CE2-CG 3.61Å; Y285-F289 HydrophobicContact CG-CB 4.48Å; Y285-F289 HydrophobicContact CG-CD2 4.37Å; Y285-F289 HydrophobicContact CG-CG 4.43Å; Y285-F289 WeakPolarHBondContact O-CB 3.33Å; Y285-F289 PolarHBondContact O-N 2.84Å |
| 290 | T | 83.6 | Confident | 79.9 | Confident | 45 Ų | 45 | 40.6 Ų | 40.6 | 28% | 0.276 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -67.1 | 151.2 | 171.5 | 69 | 0 | 0 | 0 | 0 | 110.5 | R258 E263 Y292 A449 | R258-T290 PolarHBondContact NH1-O 2.92Å; R258-T290 PolarHBondContact NH2-O 3.02Å; R258-T290 PolarHBondContact NH2-OG1 3.04Å; E263-T290 PolarHBondContact OE1-N 3.5Å; E263-T290 WeakPolarHBondContact OE2-CB 3.37Å; E263-T290 PolarHBondContact OE2-N 3.4Å; E263-T290 PolarHBondContact OE2-OG1 3.5Å; T290-Y292 PolarHBondContact O-N 3.15Å; T290-A449 WeakPolarHBondContact CB-O 3.4Å; T290-A449 HydrophobicContact CG2-CB 4.35Å; T290-A449 WeakPolarHBondContact CG2-O 3.46Å |
| 291 | I | 79.4 | Confident | 78.8 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 130.8 | 179 | -173.2 | 157.3 | 0 | 0 | 0 | 112.3 | N293 Y419 A449 Y455 | I291-N293 PolarHBondContact O-N 3.46Å; I291-Y419 HydrophobicContact CD1-CD1 3.92Å; I291-Y419 HydrophobicContact CD1-CE1 3.38Å; I291-Y419 HydrophobicContact CG1-CE1 4.01Å; I291-Y419 HydrophobicContact CG2-CE2 4.29Å; I291-A449 HydrophobicContact CG2-CB 4.33Å; I291-Y455 HydrophobicContact CB-CD2 4.17Å; I291-Y455 HydrophobicContact CB-CE2 4.4Å; I291-Y455 HydrophobicContact CD1-CD1 4.49Å; I291-Y455 HydrophobicContact CD1-CD2 3.55Å; I291-Y455 HydrophobicContact CD1-CE2 4.44Å; I291-Y455 HydrophobicContact CD1-CG 3.59Å; I291-Y455 HydrophobicContact CG1-CD2 4.48Å; I291-Y455 HydrophobicContact CG2-CD2 4.23Å; I291-Y455 HydrophobicContact CG2-CE2 4.06Å |
| 292 | Y | 76.8 | Confident | 77.5 | Confident | 26 Ų | 26 | 53 Ų | 53 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 118.5 | 177.2 | 172.4 | -120.1 | 0 | 0 | 0 | 111 | T260 T290 P294 L297 Y419 D489 F490 | T260-Y292 HydrophobicContact CG2-CE2 4.11Å; T260-Y292 WeakPolarHBondContact OG1-CE2 3.35Å; T290-Y292 PolarHBondContact O-N 3.15Å; Y292-P294 HydrophobicContact CE1-CB 3.96Å; Y292-P294 HydrophobicContact CE1-CG 4.24Å; Y292-L297 HydrophobicContact CE2-CD1 3.75Å; Y292-Y419 PolarHBondContact O-OH 2.97Å; Y292-D489 HydrophobicContact CE1-CB 3.96Å; Y292-F490 AromaticContact CD1-CD1 3.57Å; Y292-F490 HydrophobicContact CD1-CD1 3.57Å; Y292-F490 AromaticContact CD1-CE1 3.88Å; Y292-F490 HydrophobicContact CD1-CE1 3.88Å; Y292-F490 HydrophobicContact CD1-CG 4.49Å; Y292-F490 AromaticContact CE1-CD1 3.91Å; Y292-F490 HydrophobicContact CE1-CD1 3.91Å; Y292-F490 AromaticContact CG-CD1 3.97Å; Y292-F490 HydrophobicContact CG-CD1 3.97Å; Y292-F490 HydrophobicContact CG-CE1 4.15Å |
| 293 | N | 77.8 | Confident | 76.5 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -113.9 | 95 | 177.8 | -171.3 | -12.1 | 0 | 0 | 0 | 111 | I291 N295 L296 R415 Y419 | I291-N293 PolarHBondContact O-N 3.46Å; N293-N295 PolarHBondContact O-N 3.1Å; N293-N295 VanDerWaalsContact O-N 3.16Å; N293-N295 WeakPolarHBondContact OD1-CB 3.49Å; N293-N295 PolarHBondContact OD1-N 3.25Å; N293-N295 VanDerWaalsContact OD1-N 3.15Å; N293-L296 HydrophobicContact CB-CD1 4.12Å; N293-L296 HydrophobicContact CB-CG 4.31Å; N293-L296 PolarHBondContact O-N 3.14Å; N293-R415 PolarHBondContact ND2-O 3.47Å; N293-Y419 HydrophobicContact CB-CE2 4.48Å | ||
| 294 | P | 73.9 | Confident | 75.5 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.8 | -27.2 | -179.2 | 24.7 | -34.1 | 0 | 0 | 0 | 112.6 | Y292 L296 L297 T298 | Y292-P294 HydrophobicContact CE1-CB 3.96Å; Y292-P294 HydrophobicContact CE1-CG 4.24Å; P294-L296 VanDerWaalsContact C-N 3.26Å; P294-L296 PolarHBondContact O-N 2.82Å; P294-L297 PolarHBondContact O-N 2.83Å; P294-T298 PolarHBondContact O-N 3.35Å |
| 295 | N | 73 | Confident | 74.4 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.6 | -18.6 | -176.7 | -62.2 | -30.4 | 0 | 0 | 0 | 112.7 | N293 T298 R415 | N293-N295 PolarHBondContact O-N 3.1Å; N293-N295 VanDerWaalsContact O-N 3.16Å; N293-N295 WeakPolarHBondContact OD1-CB 3.49Å; N293-N295 PolarHBondContact OD1-N 3.25Å; N293-N295 VanDerWaalsContact OD1-N 3.15Å; N295-T298 PolarHBondContact O-OG1 3.31Å; N295-R415 HydrophobicContact CB-CB 4.18Å; N295-R415 WeakPolarHBondContact O-CD 3.43Å; N295-R415 PolarHBondContact O-NH1 3.16Å |
| 296 | L | 71.8 | Confident | 73.3 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.4 | -37.2 | 171.3 | -73.3 | 175.6 | 0 | 0 | 0 | 111.9 | N293 P294 A299 T414 R415 | N293-L296 HydrophobicContact CB-CD1 4.12Å; N293-L296 HydrophobicContact CB-CG 4.31Å; N293-L296 PolarHBondContact O-N 3.14Å; P294-L296 VanDerWaalsContact C-N 3.26Å; P294-L296 PolarHBondContact O-N 2.82Å; L296-A299 WeakPolarHBondContact O-CB 3.29Å; L296-A299 PolarHBondContact O-N 3.44Å; L296-T414 WeakPolarHBondContact CD2-O 3.43Å; L296-R415 HydrophobicContact CD2-CB 4.37Å |
| 297 | L | 66 | Low | 72.2 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.9 | -32.3 | -177.2 | -62 | 173.7 | 0 | 0 | 0 | 113.2 | T260 D261 Y292 P294 A299 S300 | T260-L297 VanDerWaalsContact O-CD1 3.25Å; T260-L297 WeakPolarHBondContact O-CD1 3.4Å; T260-L297 WeakPolarHBondContact O-CD2 3.17Å; D261-L297 HydrophobicContact CB-CD1 4.45Å; D261-L297 HydrophobicContact CB-CD2 4.03Å; Y292-L297 HydrophobicContact CE2-CD1 3.75Å; P294-L297 PolarHBondContact O-N 2.83Å; L297-A299 VanDerWaalsContact C-N 3.32Å; L297-S300 PolarHBondContact O-OG 3.06Å |
| 298 | T | 67.1 | Low | 71.1 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75 | -23.7 | 172.5 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | P294 N295 S300 K301 F302 | P294-T298 PolarHBondContact O-N 3.35Å; N295-T298 PolarHBondContact O-OG1 3.31Å; T298-S300 VanDerWaalsContact C-N 3.34Å; T298-S300 PolarHBondContact O-N 3.06Å; T298-K301 PolarHBondContact O-N 2.68Å; T298-F302 WeakPolarHBondContact O-CD2 3.36Å; T298-F302 PolarHBondContact O-N 3.27Å |
| 299 | A | 66.8 | Low | 70 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -37.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L296 L297 R303 | L296-A299 WeakPolarHBondContact O-CB 3.29Å; L296-A299 PolarHBondContact O-N 3.44Å; L297-A299 VanDerWaalsContact C-N 3.32Å; A299-R303 WeakPolarHBondContact O-CD 3.28Å; A299-R303 WeakPolarHBondContact O-CG 3.38Å; A299-R303 PolarHBondContact O-N 2.84Å |
| 300 | S | 65 | Low | 68.7 | Low | 62 Ų | 62 | 68.1 Ų | 68.1 | 43% | 0.434 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 175.6 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | L297 T298 F302 R303 A304 | L297-S300 PolarHBondContact O-OG 3.06Å; T298-S300 VanDerWaalsContact C-N 3.34Å; T298-S300 PolarHBondContact O-N 3.06Å; S300-F302 PolarHBondContact O-N 3.14Å; S300-R303 PolarHBondContact O-N 2.98Å; S300-A304 PolarHBondContact O-N 3.35Å |
| 301 | K | 66.4 | Low | 67.4 | Low | 156 Ų | 156 | 71.1 Ų | 71.1 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 177.5 | -61.5 | -177.8 | -179.4 | 179 | 0 | 112.3 | T298 A305 | T298-K301 PolarHBondContact O-N 2.68Å; K301-A305 WeakPolarHBondContact O-CB 3.38Å; K301-A305 PolarHBondContact O-N 2.78Å |
| 302 | F | 66.2 | Low | 66.4 | Low | 138 Ų | 138 | 78.3 Ų | 78.3 | 61% | 0.605 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68 | -34.2 | 178 | -80.1 | -64.2 | 0 | 0 | 0 | 113.4 | T298 S300 K306 | T298-F302 WeakPolarHBondContact O-CD2 3.36Å; T298-F302 PolarHBondContact O-N 3.27Å; S300-F302 PolarHBondContact O-N 3.14Å; F302-K306 WeakPolarHBondContact O-CB 3.32Å; F302-K306 PolarHBondContact O-N 2.83Å; F302-K306 VanDerWaalsContact O-N 3.07Å |
| 303 | R | 67.8 | Low | 65.3 | Low | 59 Ų | 59 | 81.9 Ų | 81.9 | 22% | 0.223 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.5 | -48.4 | 174.3 | -66.6 | 166 | -161.3 | 167.2 | 7.2 | 111.1 | A299 S300 A305 K306 H307 E348 H352 | A299-R303 WeakPolarHBondContact O-CD 3.28Å; A299-R303 WeakPolarHBondContact O-CG 3.38Å; A299-R303 PolarHBondContact O-N 2.84Å; S300-R303 PolarHBondContact O-N 2.98Å; R303-A305 VanDerWaalsContact C-N 3.32Å; R303-A305 PolarHBondContact O-N 2.91Å; R303-K306 WeakPolarHBondContact O-CB 3.35Å; R303-K306 PolarHBondContact O-N 2.92Å; R303-H307 PolarHBondContact O-N 3.37Å; R303-H307 VanDerWaalsContact O-N 3.13Å; R303-E348 WeakPolarHBondContact CB-OE2 3.26Å; R303-H352 PolarHBondContact NH2-CD2 3.45Å; R303-H352 PolarHBondContact NH2-CE1 3.5Å; R303-H352 PolarHBondContact NH2-ND1 3.23Å; R303-H352 PolarHBondContact NH2-NE2 3.37Å |
| 304 | A | 65.6 | Low | 64.3 | Low | 28 Ų | 28 | 89.7 Ų | 89.7 | 23% | 0.231 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -51.5 | -48.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S300 K306 M308 L345 | S300-A304 PolarHBondContact O-N 3.35Å; A304-K306 PolarHBondContact O-N 2.96Å; A304-M308 WeakPolarHBondContact O-CG 3.45Å; A304-M308 PolarHBondContact O-N 2.79Å; A304-L345 HydrophobicContact CB-CD2 3.61Å |
| 305 | A | 65.9 | Low | 63.2 | Low | 56 Ų | 56 | 95 Ų | 95 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K301 R303 H307 M308 A309 | K301-A305 WeakPolarHBondContact O-CB 3.38Å; K301-A305 PolarHBondContact O-N 2.78Å; R303-A305 VanDerWaalsContact C-N 3.32Å; R303-A305 PolarHBondContact O-N 2.91Å; A305-H307 PolarHBondContact O-N 3.27Å; A305-M308 PolarHBondContact O-N 2.83Å; A305-A309 WeakPolarHBondContact O-CB 3.38Å; A305-A309 PolarHBondContact O-N 3.16Å |
| 306 | K | 66.2 | Low | 62.5 | Low | 168 Ų | 168 | 98.4 Ų | 98.4 | 73% | 0.73 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | -179.9 | -175.4 | 174.3 | -179.4 | 174.5 | 0 | 112.5 | F302 R303 A304 A309 G310 | F302-K306 WeakPolarHBondContact O-CB 3.32Å; F302-K306 PolarHBondContact O-N 2.83Å; F302-K306 VanDerWaalsContact O-N 3.07Å; R303-K306 WeakPolarHBondContact O-CB 3.35Å; R303-K306 PolarHBondContact O-N 2.92Å; A304-K306 PolarHBondContact O-N 2.96Å; K306-A309 PolarHBondContact O-N 3.4Å; K306-G310 PolarHBondContact O-N 3.11Å |
| 307 | H | 61.6 | Low | 61.6 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 47% | 0.468 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 177.9 | -167.2 | -107.5 | 0 | 0 | 0 | 112 | R303 A305 A309 G310 E344 | R303-H307 PolarHBondContact O-N 3.37Å; R303-H307 VanDerWaalsContact O-N 3.13Å; A305-H307 PolarHBondContact O-N 3.27Å; H307-A309 VanDerWaalsContact C-N 3.27Å; H307-A309 PolarHBondContact O-N 3.44Å; H307-G310 PolarHBondContact O-N 3.21Å; H307-G310 VanDerWaalsContact O-N 3.11Å; H307-E344 VanDerWaalsContact CB-OE1 3.26Å; H307-E344 WeakPolarHBondContact CB-OE1 3.38Å; H307-E344 IonicContact CD2-OE1 3.49Å; H307-E344 IonicContact CE1-OE1 3.71Å; H307-E344 PolarHBondContact CE1-OE1 2.88Å; H307-E344 IonicContact CE1-OE2 3.87Å; H307-E344 PolarHBondContact CE1-OE2 2.94Å; H307-E344 IonicContact CG-OE1 3.97Å; H307-E344 IonicContact CG-OE2 2.78Å; H307-E344 IonicContact ND1-OE1 2.84Å; H307-E344 PolarHBondContact ND1-OE1 3.45Å; H307-E344 IonicContact ND1-OE2 2.77Å; H307-E344 PolarHBondContact ND1-OE2 2.86Å |
| 308 | M | 60.6 | Low | 61.2 | Low | 117 Ų | 117 | 101.3 Ų | 101.3 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.1 | -35.9 | 174.1 | -66.4 | -66.1 | 151.7 | 0 | 0 | 112.8 | A304 A305 S341 | A304-M308 WeakPolarHBondContact O-CG 3.45Å; A304-M308 PolarHBondContact O-N 2.79Å; A305-M308 PolarHBondContact O-N 2.83Å; M308-S341 VanDerWaalsContact CE-CB 3.44Å |
| 309 | A | 61.5 | Low | 60.4 | Low | 83 Ų | 83 | 106 Ų | 106 | 69% | 0.686 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.9 | -17.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | A305 K306 H307 L311 | A305-A309 WeakPolarHBondContact O-CB 3.38Å; A305-A309 PolarHBondContact O-N 3.16Å; K306-A309 PolarHBondContact O-N 3.4Å; H307-A309 VanDerWaalsContact C-N 3.27Å; H307-A309 PolarHBondContact O-N 3.44Å; A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 3.32Å |
| 310 | G | 60.1 | Low | 59.7 | Low | 65 Ų | 65 | 110.5 Ų | 110.5 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -15.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K306 H307 K312 | K306-G310 PolarHBondContact O-N 3.11Å; H307-G310 PolarHBondContact O-N 3.21Å; H307-G310 VanDerWaalsContact O-N 3.11Å; G310-K312 PolarHBondContact O-N 3.43Å |
| 311 | L | 56.4 | Low | 59.1 | Low | 108 Ų | 108 | 115 Ų | 115 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | trans | -98.2 | 82.2 | -169.6 | -168 | 72.4 | 0 | 0 | 0 | 112.8 | A309 V313 | A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 3.32Å; L311-V313 PolarHBondContact O-N 3.04Å; L311-V313 VanDerWaalsContact O-N 3.16Å | ||
| 312 | K | 57.4 | Low | 58.4 | Low | 169 Ų | 169 | 113.3 Ų | 113.3 | 74% | 0.735 | 64% | 0.636 | S | S | * | * | trans | -67.2 | 109.5 | 166.7 | -75.2 | -173.5 | 176.7 | -177.5 | 0 | 110.2 | G310 Y314 | G310-K312 PolarHBondContact O-N 3.43Å; K312-Y314 HydrophobicContact CB-CE2 4.23Å; K312-Y314 PolarHBondContact O-N 3.4Å | ||
| 313 | V | 54.1 | Low | 57.9 | Low | 100 Ų | 100 | 109.9 Ų | 109.9 | 61% | 0.606 | 63% | 0.633 | S | S | * | * | trans | -81.2 | 110.8 | 172 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | L311 | L311-V313 PolarHBondContact O-N 3.04Å; L311-V313 VanDerWaalsContact O-N 3.16Å | ||
| 314 | Y | 57.2 | Low | 57.2 | Low | 179 Ų | 179 | 113.1 Ų | 113.1 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | trans | -83.2 | 122.8 | 167 | -63.3 | -84.8 | 0 | 0 | 0 | 108.8 | K312 V316 | K312-Y314 HydrophobicContact CB-CE2 4.23Å; K312-Y314 PolarHBondContact O-N 3.4Å; Y314-V316 PolarHBondContact O-N 3.31Å | ||
| 315 | N | 51 | Low | 56.6 | Low | 152 Ų | 152 | 114 Ų | 114 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | trans | -70.7 | 112.7 | 166 | -100.3 | -5.4 | 0 | 0 | 0 | 108 | ||||
| 316 | V | 57 | Low | 56.1 | Low | 133 Ų | 133 | 116.3 Ų | 116.3 | 81% | 0.806 | 67% | 0.672 | S | S | * | * | trans | -88.1 | -18.8 | -179.7 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | Y314 | Y314-V316 PolarHBondContact O-N 3.31Š| ||
| 317 | D | 54.8 | Low | 55.6 | Low | 144 Ų | 144 | 111.4 Ų | 111.4 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -97.7 | 130.9 | 179.1 | -63.5 | -47.1 | 0 | 0 | 0 | 112 | ||
| 318 | G | 56.3 | Low | 55.4 | Low | 56 Ų | 56 | 116.5 Ų | 116.5 | 58% | 0.577 | 67% | 0.674 | S | S | * | * | trans | -66.1 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S320 | G318-S320 PolarHBondContact O-N 3.5Š| ||
| 319 | P | 50.1 | Low | 55.4 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 97% | 0.968 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -67.6 | 98.5 | -167.1 | 28.3 | -35.5 | 0 | 0 | 0 | 111.9 | ||
| 320 | S | 51.7 | Low | 55.3 | Low | 97 Ų | 97 | 115.8 Ų | 115.8 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | trans | -130 | 142 | 174.7 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | G318 N322 | G318-S320 PolarHBondContact O-N 3.5Å; S320-N322 PolarHBondContact O-N 3.13Å | ||
| 321 | N | 52.6 | Low | 55.4 | Low | 158 Ų | 158 | 118.4 Ų | 118.4 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -93.8 | 41.7 | -137.4 | -144.8 | 8 | 0 | 0 | 0 | 114.7 | ||
| 322 | N | 52.9 | Low | 55.7 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | trans | -112.4 | 57.5 | -170.9 | -79.9 | -17.6 | 0 | 0 | 0 | 114 | S320 T324 | S320-N322 PolarHBondContact O-N 3.13Å; N322-T324 VanDerWaalsContact C-N 3.34Å; N322-T324 PolarHBondContact O-N 3.5Å | ||
| 323 | A | 54.7 | Low | 55.8 | Low | 66 Ų | 66 | 109.6 Ų | 109.6 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.2 | -34.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S327 | A323-S327 PolarHBondContact O-N 3.04Å; A323-S327 PolarHBondContact O-OG 3.21Å |
| 324 | T | 54.1 | Low | 56.1 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.7 | -32.6 | -172.6 | 51.6 | 0 | 0 | 0 | 0 | 114 | N322 | N322-T324 VanDerWaalsContact C-N 3.34Å; N322-T324 PolarHBondContact O-N 3.5Å |
| 325 | G | 53.5 | Low | 56.2 | Low | 45 Ų | 45 | 101.4 Ų | 101.4 | 46% | 0.464 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.5 | -38.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S327 R328 A329 | G325-S327 PolarHBondContact O-N 3.05Å; G325-R328 PolarHBondContact O-N 3.07Å; G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 3.3Å |
| 326 | Q | 54.8 | Low | 56.7 | Low | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.5 | -42.3 | 179.9 | -72.4 | 179.3 | -13.1 | 0 | 0 | 112.3 | R328 A329 M330 | Q326-R328 PolarHBondContact O-N 3.28Å; Q326-A329 PolarHBondContact O-N 3.25Å; Q326-M330 HydrophobicContact CB-CE 4.3Å; Q326-M330 WeakPolarHBondContact O-CB 3.34Å; Q326-M330 WeakPolarHBondContact O-CG 3.36Å; Q326-M330 PolarHBondContact O-N 3.03Å |
| 327 | S | 56 | Low | 56.7 | Low | 65 Ų | 65 | 103.8 Ų | 103.8 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.6 | -42.7 | 176 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | A323 G325 M330 I331 | A323-S327 PolarHBondContact O-N 3.04Å; A323-S327 PolarHBondContact O-OG 3.21Å; G325-S327 PolarHBondContact O-N 3.05Å; S327-M330 PolarHBondContact O-N 3.28Å; S327-I331 WeakPolarHBondContact O-CB 3.01Å; S327-I331 WeakPolarHBondContact O-CD1 3.25Å; S327-I331 WeakPolarHBondContact O-CG1 3.47Å; S327-I331 PolarHBondContact O-N 3.45Å |
| 328 | R | 57.8 | Low | 56.9 | Low | 209 Ų | 209 | 106.4 Ų | 106.4 | 79% | 0.789 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.5 | -39.4 | 178.7 | -121.2 | 177.5 | 177.2 | 175.1 | -1.4 | 112.1 | G325 Q326 I331 A332 | G325-R328 PolarHBondContact O-N 3.07Å; Q326-R328 PolarHBondContact O-N 3.28Å; R328-I331 PolarHBondContact O-N 2.89Å; R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 2.97Å |
| 329 | A | 60.4 | Low | 56.9 | Low | 61 Ų | 61 | 109.5 Ų | 109.5 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G325 Q326 A332 A333 | G325-A329 WeakPolarHBondContact O-CB 3.37Å; G325-A329 PolarHBondContact O-N 3.3Å; Q326-A329 PolarHBondContact O-N 3.25Å; A329-A332 PolarHBondContact O-N 2.85Å; A329-A333 VanDerWaalsContact O-CB 3.22Å; A329-A333 WeakPolarHBondContact O-CB 3.45Å; A329-A333 PolarHBondContact O-N 3.28Å |
| 330 | M | 59.4 | Low | 57.4 | Low | 123 Ų | 123 | 105.5 Ų | 105.5 | 61% | 0.606 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.6 | -40.6 | 174.5 | -80 | -165.1 | -88.1 | 0 | 0 | 112.4 | Q326 S327 A333 A334 | Q326-M330 HydrophobicContact CB-CE 4.3Å; Q326-M330 WeakPolarHBondContact O-CB 3.34Å; Q326-M330 WeakPolarHBondContact O-CG 3.36Å; Q326-M330 PolarHBondContact O-N 3.03Å; S327-M330 PolarHBondContact O-N 3.28Å; M330-A333 PolarHBondContact O-N 3.08Å; M330-A334 WeakPolarHBondContact O-CB 3.4Å; M330-A334 PolarHBondContact O-N 2.95Å |
| 331 | I | 60.5 | Low | 58 | Low | 121 Ų | 121 | 102.1 Ų | 102.1 | 62% | 0.621 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.6 | -43.1 | 175.9 | -69.3 | 163.7 | 0 | 0 | 0 | 110.8 | S327 R328 A334 A335 | S327-I331 WeakPolarHBondContact O-CB 3.01Å; S327-I331 WeakPolarHBondContact O-CD1 3.25Å; S327-I331 WeakPolarHBondContact O-CG1 3.47Å; S327-I331 PolarHBondContact O-N 3.45Å; R328-I331 PolarHBondContact O-N 2.89Å; I331-A334 PolarHBondContact O-N 3.09Å; I331-A335 WeakPolarHBondContact O-CB 3.4Å; I331-A335 PolarHBondContact O-N 3.17Å |
| 332 | A | 62.7 | Low | 58.4 | Low | 53 Ų | 53 | 101.6 Ų | 101.6 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R328 A329 R336 | R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 2.97Å; A329-A332 PolarHBondContact O-N 2.85Å; A332-R336 WeakPolarHBondContact O-CG 3.27Å; A332-R336 PolarHBondContact O-N 3.26Å |
| 333 | A | 61 | Low | 59.4 | Low | 39 Ų | 39 | 99.9 Ų | 99.9 | 32% | 0.322 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A329 M330 R336 R337 | A329-A333 VanDerWaalsContact O-CB 3.22Å; A329-A333 WeakPolarHBondContact O-CB 3.45Å; A329-A333 PolarHBondContact O-N 3.28Å; M330-A333 PolarHBondContact O-N 3.08Å; A333-R336 PolarHBondContact O-N 3.38Å; A333-R337 VanDerWaalsContact O-CB 3.29Å; A333-R337 WeakPolarHBondContact O-CB 3.39Å; A333-R337 WeakPolarHBondContact O-CG 3.33Å; A333-R337 PolarHBondContact O-N 3.19Å |
| 334 | A | 60 | Low | 60.2 | Low | 56 Ų | 56 | 98.7 Ų | 98.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M330 I331 R337 R338 | M330-A334 WeakPolarHBondContact O-CB 3.4Å; M330-A334 PolarHBondContact O-N 2.95Å; I331-A334 PolarHBondContact O-N 3.09Å; A334-R337 PolarHBondContact O-N 3.31Å; A334-R338 PolarHBondContact O-N 3.26Å |
| 335 | A | 58.9 | Low | 61.2 | Low | 51 Ų | 51 | 95.5 Ų | 95.5 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -52 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I331 R337 R338 D339 | I331-A335 WeakPolarHBondContact O-CB 3.4Å; I331-A335 PolarHBondContact O-N 3.17Å; A335-R337 VanDerWaalsContact C-N 3.28Å; A335-R337 PolarHBondContact O-N 3.2Å; A335-R338 WeakPolarHBondContact O-CB 3.21Å; A335-R338 PolarHBondContact O-N 2.98Å; A335-D339 PolarHBondContact O-N 3.18Å; A335-D339 VanDerWaalsContact O-N 3.14Å |
| 336 | R | 60.9 | Low | 62.4 | Low | 200 Ų | 200 | 100.2 Ų | 100.2 | 76% | 0.755 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -32.1 | 176.1 | -70.5 | 178.4 | 178.7 | 178 | 0.4 | 113.2 | A332 A333 S340 | A332-R336 WeakPolarHBondContact O-CG 3.27Å; A332-R336 PolarHBondContact O-N 3.26Å; A333-R336 PolarHBondContact O-N 3.38Å; R336-S340 WeakPolarHBondContact O-CB 3.09Å; R336-S340 PolarHBondContact O-N 3.31Å |
| 337 | R | 57.3 | Low | 63.7 | Low | 134 Ų | 134 | 102.1 Ų | 102.1 | 51% | 0.506 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 172.7 | -76.7 | 170.9 | -176 | -161.6 | 2.3 | 112.2 | A333 A334 A335 S340 S341 | A333-R337 VanDerWaalsContact O-CB 3.29Å; A333-R337 WeakPolarHBondContact O-CB 3.39Å; A333-R337 WeakPolarHBondContact O-CG 3.33Å; A333-R337 PolarHBondContact O-N 3.19Å; A334-R337 PolarHBondContact O-N 3.31Å; A335-R337 VanDerWaalsContact C-N 3.28Å; A335-R337 PolarHBondContact O-N 3.2Å; R337-S340 PolarHBondContact O-N 3.16Å; R337-S341 WeakPolarHBondContact O-CB 3.43Å; R337-S341 PolarHBondContact O-N 2.76Å |
| 338 | R | 59.8 | Low | 64.9 | Low | 199 Ų | 199 | 101.2 Ų | 101.2 | 75% | 0.751 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 174.4 | -170.6 | 176.1 | 179.7 | 174.2 | -0.8 | 110.9 | A334 A335 S341 | A334-R338 PolarHBondContact O-N 3.26Å; A335-R338 WeakPolarHBondContact O-CB 3.21Å; A335-R338 PolarHBondContact O-N 2.98Å; R338-S341 PolarHBondContact O-N 3.02Å; R338-S341 PolarHBondContact O-OG 3.5Å |
| 339 | D | 56.4 | Low | 66 | Low | 121 Ų | 121 | 97.2 Ų | 97.2 | 65% | 0.647 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 176 | -59.6 | -29.1 | 0 | 0 | 0 | 111.7 | A335 S341 | A335-D339 PolarHBondContact O-N 3.18Å; A335-D339 VanDerWaalsContact O-N 3.14Å; D339-S341 VanDerWaalsContact C-N 3.33Å; D339-S341 PolarHBondContact O-N 2.81Å |
| 340 | S | 60.4 | Low | 67.2 | Low | 66 Ų | 66 | 96.2 Ų | 96.2 | 46% | 0.462 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 173.3 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | R336 R337 H342 N343 E344 | R336-S340 WeakPolarHBondContact O-CB 3.09Å; R336-S340 PolarHBondContact O-N 3.31Å; R337-S340 PolarHBondContact O-N 3.16Å; S340-H342 VanDerWaalsContact C-N 3.29Å; S340-H342 PolarHBondContact O-N 3.08Å; S340-N343 PolarHBondContact O-N 2.99Å; S340-E344 WeakPolarHBondContact O-CB 3.42Å; S340-E344 PolarHBondContact O-N 3.34Å |
| 341 | S | 62.8 | Low | 68.5 | Low | 26 Ų | 26 | 95 Ų | 95 | 18% | 0.182 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -65.4 | -31 | -175 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | M308 R337 R338 D339 E344 L345 | M308-S341 VanDerWaalsContact CE-CB 3.44Å; R337-S341 WeakPolarHBondContact O-CB 3.43Å; R337-S341 PolarHBondContact O-N 2.76Å; R338-S341 PolarHBondContact O-N 3.02Å; R338-S341 PolarHBondContact O-OG 3.5Å; D339-S341 VanDerWaalsContact C-N 3.33Å; D339-S341 PolarHBondContact O-N 2.81Å; S341-E344 PolarHBondContact O-N 3.15Å; S341-L345 WeakPolarHBondContact O-CG 3.36Å; S341-L345 PolarHBondContact O-N 3.24Å |
| 342 | H | 62.9 | Low | 69.7 | Low | 147 Ų | 147 | 90.8 Ų | 90.8 | 68% | 0.681 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.7 | -40.4 | 175.2 | -173 | -78.7 | 0 | 0 | 0 | 111.8 | S340 E344 Y346 | S340-H342 VanDerWaalsContact C-N 3.29Å; S340-H342 PolarHBondContact O-N 3.08Å; H342-E344 VanDerWaalsContact C-N 3.3Å; H342-Y346 PolarHBondContact O-N 3.35Å |
| 343 | N | 72.7 | Confident | 71 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.8 | -34.5 | 177 | -163.3 | 28.5 | 0 | 0 | 0 | 111.5 | S340 Y346 Y347 | S340-N343 PolarHBondContact O-N 2.99Å; N343-Y346 WeakPolarHBondContact O-CB 3.08Å; N343-Y347 WeakPolarHBondContact O-CD2 3.49Å; N343-Y347 PolarHBondContact O-N 2.74Å |
| 344 | E | 72.5 | Confident | 72.4 | Confident | 41 Ų | 41 | 100.3 Ų | 100.3 | 19% | 0.192 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 177.5 | -162.7 | -161.2 | 108.2 | 0 | 0 | 112.7 | H307 S340 S341 H342 Y346 Y347 E348 | H307-E344 VanDerWaalsContact CB-OE1 3.26Å; H307-E344 WeakPolarHBondContact CB-OE1 3.38Å; H307-E344 IonicContact CD2-OE1 3.49Å; H307-E344 IonicContact CE1-OE1 3.71Å; H307-E344 PolarHBondContact CE1-OE1 2.88Å; H307-E344 IonicContact CE1-OE2 3.87Å; H307-E344 PolarHBondContact CE1-OE2 2.94Å; H307-E344 IonicContact CG-OE1 3.97Å; H307-E344 IonicContact CG-OE2 2.78Å; H307-E344 IonicContact ND1-OE1 2.84Å; H307-E344 PolarHBondContact ND1-OE1 3.45Å; H307-E344 IonicContact ND1-OE2 2.77Å; H307-E344 PolarHBondContact ND1-OE2 2.86Å; S340-E344 WeakPolarHBondContact O-CB 3.42Å; S340-E344 PolarHBondContact O-N 3.34Å; S341-E344 PolarHBondContact O-N 3.15Å; H342-E344 VanDerWaalsContact C-N 3.3Å; E344-Y346 VanDerWaalsContact C-N 3.27Å; E344-Y346 PolarHBondContact O-N 3.12Å; E344-Y347 PolarHBondContact O-N 3.34Å; E344-E348 PolarHBondContact O-N 3.04Å |
| 345 | L | 73.4 | Confident | 73.8 | Confident | 61 Ų | 61 | 102.2 Ų | 102.2 | 32% | 0.319 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.3 | -40.1 | 175 | -73.9 | 167.1 | 0 | 0 | 0 | 112.4 | A304 S341 Y347 E348 E349 | A304-L345 HydrophobicContact CB-CD2 3.61Å; S341-L345 WeakPolarHBondContact O-CG 3.36Å; S341-L345 PolarHBondContact O-N 3.24Å; L345-Y347 PolarHBondContact O-N 3.13Å; L345-E348 PolarHBondContact O-N 3.18Å; L345-E349 WeakPolarHBondContact O-CB 3.18Å; L345-E349 PolarHBondContact O-N 2.96Å |
| 346 | Y | 79.8 | Confident | 75.4 | Confident | 144 Ų | 144 | 101.2 Ų | 101.2 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 173.8 | 170.7 | -98.7 | 0 | 0 | 0 | 112.1 | H342 N343 E344 E349 A350 | H342-Y346 PolarHBondContact O-N 3.35Å; N343-Y346 WeakPolarHBondContact O-CB 3.08Å; E344-Y346 VanDerWaalsContact C-N 3.27Å; E344-Y346 PolarHBondContact O-N 3.12Å; Y346-E349 PolarHBondContact O-N 2.9Å; Y346-A350 WeakPolarHBondContact O-CB 3.38Å; Y346-A350 PolarHBondContact O-N 3.46Å |
| 347 | Y | 82 | Confident | 76.9 | Confident | 144 Ų | 144 | 97.8 Ų | 97.8 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.6 | -37.6 | 175.6 | -69.2 | -58.6 | 0 | 0 | 0 | 112.9 | N343 E344 L345 A350 E351 | N343-Y347 WeakPolarHBondContact O-CD2 3.49Å; N343-Y347 PolarHBondContact O-N 2.74Å; E344-Y347 PolarHBondContact O-N 3.34Å; L345-Y347 PolarHBondContact O-N 3.13Å; Y347-A350 PolarHBondContact O-N 3.44Å; Y347-E351 VanDerWaalsContact O-CB 3.32Å; Y347-E351 WeakPolarHBondContact O-CB 3.46Å; Y347-E351 PolarHBondContact O-N 3.3Å |
| 348 | E | 80.6 | Confident | 78.7 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 22% | 0.22 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 174.5 | -71 | -161 | 119.2 | 0 | 0 | 112.6 | R303 E344 L345 H352 | R303-E348 WeakPolarHBondContact CB-OE2 3.26Å; E344-E348 PolarHBondContact O-N 3.04Å; L345-E348 PolarHBondContact O-N 3.18Å; E348-H352 VanDerWaalsContact O-CB 3.27Å; E348-H352 WeakPolarHBondContact O-CB 3.41Å; E348-H352 PolarHBondContact O-N 3.34Å |
| 349 | E | 82.3 | Confident | 80.4 | Confident | 124 Ų | 124 | 91.8 Ų | 91.8 | 58% | 0.579 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.3 | -48.8 | 174.6 | -176.7 | 163.4 | -134 | 0 | 0 | 111 | L345 Y346 E351 H352 E353 | L345-E349 WeakPolarHBondContact O-CB 3.18Å; L345-E349 PolarHBondContact O-N 2.96Å; Y346-E349 PolarHBondContact O-N 2.9Å; E349-E351 VanDerWaalsContact C-N 3.32Å; E349-E351 PolarHBondContact O-N 3.45Å; E349-H352 CarbonylContact O-C 3.59Å; E349-H352 WeakPolarHBondContact O-CA 3.34Å; E349-H352 WeakPolarHBondContact O-CB 3.33Å; E349-H352 PolarHBondContact O-N 3.38Å; E349-H352 VanDerWaalsContact O-N 3.1Å; E349-E353 PolarHBondContact O-N 3Å |
| 350 | A | 85.7 | Confident | 82.2 | Confident | 41 Ų | 41 | 92.5 Ų | 92.5 | 34% | 0.339 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y346 Y347 R354 | Y346-A350 WeakPolarHBondContact O-CB 3.38Å; Y346-A350 PolarHBondContact O-N 3.46Å; Y347-A350 PolarHBondContact O-N 3.44Å; A350-R354 WeakPolarHBondContact O-CB 3.5Å; A350-R354 PolarHBondContact O-N 2.69Å |
| 351 | E | 86.6 | Confident | 83.8 | Confident | 96 Ų | 96 | 92 Ų | 92 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.4 | -35 | 175.1 | -155.5 | -131.2 | 147.2 | 0 | 0 | 111.6 | Y347 E349 R354 R355 | Y347-E351 VanDerWaalsContact O-CB 3.32Å; Y347-E351 WeakPolarHBondContact O-CB 3.46Å; Y347-E351 PolarHBondContact O-N 3.3Å; E349-E351 VanDerWaalsContact C-N 3.32Å; E349-E351 PolarHBondContact O-N 3.45Å; E351-R354 PolarHBondContact O-N 2.85Å; E351-R355 WeakPolarHBondContact O-CG 3.17Å; E351-R355 PolarHBondContact O-N 2.75Å; E351-R355 PolarHBondContact O-NE 3.07Å; E351-R355 IonicContact OE1-CZ 3.73Å; E351-R355 VanDerWaalsContact OE1-CZ 3.29Å; E351-R355 IonicContact OE1-NE 3.85Å; E351-R355 IonicContact OE1-NH1 2.85Å; E351-R355 PolarHBondContact OE1-NH1 3.16Å; E351-R355 IonicContact OE1-NH2 2.88Å; E351-R355 IonicContact OE2-CZ 3.29Å; E351-R355 IonicContact OE2-NH1 2.77Å; E351-R355 PolarHBondContact OE2-NH1 3.22Å; E351-R355 IonicContact OE2-NH2 3.72Å; E351-R355 PolarHBondContact OE2-NH2 3.33Å |
| 352 | H | 85.8 | Confident | 85.3 | Confident | 34 Ų | 34 | 97.3 Ų | 97.3 | 16% | 0.157 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.8 | -48.4 | 171.7 | -178.1 | 65.2 | 0 | 0 | 0 | 112.2 | R303 E348 E349 R354 R355 V356 T413 | R303-H352 PolarHBondContact NH2-CD2 3.45Å; R303-H352 PolarHBondContact NH2-CE1 3.5Å; R303-H352 PolarHBondContact NH2-ND1 3.23Å; R303-H352 PolarHBondContact NH2-NE2 3.37Å; E348-H352 VanDerWaalsContact O-CB 3.27Å; E348-H352 WeakPolarHBondContact O-CB 3.41Å; E348-H352 PolarHBondContact O-N 3.34Å; E349-H352 CarbonylContact O-C 3.59Å; E349-H352 WeakPolarHBondContact O-CA 3.34Å; E349-H352 WeakPolarHBondContact O-CB 3.33Å; E349-H352 PolarHBondContact O-N 3.38Å; E349-H352 VanDerWaalsContact O-N 3.1Å; H352-R354 VanDerWaalsContact C-N 3.28Å; H352-R354 PolarHBondContact O-N 3.43Å; H352-R355 WeakPolarHBondContact O-CA 3.29Å; H352-R355 WeakPolarHBondContact O-CB 3.4Å; H352-R355 PolarHBondContact O-N 3.17Å; H352-R355 VanDerWaalsContact O-N 3.08Å; H352-V356 WeakPolarHBondContact O-CG2 3.49Å; H352-V356 PolarHBondContact O-N 2.85Å; H352-T413 PolarHBondContact CE1-O 2.61Å |
| 353 | E | 88.4 | Confident | 86.9 | Confident | 97 Ų | 97 | 90.3 Ų | 90.3 | 45% | 0.453 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.2 | -45.2 | 172.3 | -74.5 | -156.9 | 156.7 | 0 | 0 | 111.5 | E349 R355 V356 K357 | E349-E353 PolarHBondContact O-N 3Å; E353-R355 VanDerWaalsContact C-N 3.28Å; E353-R355 PolarHBondContact O-N 3.22Å; E353-V356 PolarHBondContact O-N 3.35Å; E353-K357 HydrophobicContact CB-CD 4.48Å; E353-K357 WeakPolarHBondContact O-CB 3.22Å; E353-K357 VanDerWaalsContact O-CG 3.28Å; E353-K357 WeakPolarHBondContact O-CG 3.48Å; E353-K357 PolarHBondContact O-N 3.05Å; E353-K357 IonicContact OE2-NZ 2.72Å; E353-K357 PolarHBondContact OE2-NZ 2.99Å |
| 354 | R | 90.6 | Very high | 88 | Confident | 195 Ų | 195 | 88 Ų | 88 | 74% | 0.736 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.3 | -38.2 | 178.1 | -169.9 | -179.8 | -176.2 | -166.2 | 3 | 111.4 | A350 E351 H352 K358 | A350-R354 WeakPolarHBondContact O-CB 3.5Å; A350-R354 PolarHBondContact O-N 2.69Å; E351-R354 PolarHBondContact O-N 2.85Å; H352-R354 VanDerWaalsContact C-N 3.28Å; H352-R354 PolarHBondContact O-N 3.43Å; R354-K358 WeakPolarHBondContact O-CB 3.33Å; R354-K358 PolarHBondContact O-N 3.28Å |
| 355 | R | 90.9 | Very high | 89.1 | Confident | 95 Ų | 95 | 89.4 Ų | 89.4 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.4 | -48 | 172.3 | -75.4 | 176 | -72.2 | -137.5 | 1.5 | 111.5 | E351 H352 E353 K358 R359 T413 | E351-R355 WeakPolarHBondContact O-CG 3.17Å; E351-R355 PolarHBondContact O-N 2.75Å; E351-R355 PolarHBondContact O-NE 3.07Å; E351-R355 IonicContact OE1-CZ 3.73Å; E351-R355 VanDerWaalsContact OE1-CZ 3.29Å; E351-R355 IonicContact OE1-NE 3.85Å; E351-R355 IonicContact OE1-NH1 2.85Å; E351-R355 PolarHBondContact OE1-NH1 3.16Å; E351-R355 IonicContact OE1-NH2 2.88Å; E351-R355 IonicContact OE2-CZ 3.29Å; E351-R355 IonicContact OE2-NH1 2.77Å; E351-R355 PolarHBondContact OE2-NH1 3.22Å; E351-R355 IonicContact OE2-NH2 3.72Å; E351-R355 PolarHBondContact OE2-NH2 3.33Å; H352-R355 WeakPolarHBondContact O-CA 3.29Å; H352-R355 WeakPolarHBondContact O-CB 3.4Å; H352-R355 PolarHBondContact O-N 3.17Å; H352-R355 VanDerWaalsContact O-N 3.08Å; E353-R355 VanDerWaalsContact C-N 3.28Å; E353-R355 PolarHBondContact O-N 3.22Å; R355-K358 PolarHBondContact O-N 3.45Å; R355-R359 VanDerWaalsContact O-CG 3.29Å; R355-R359 WeakPolarHBondContact O-CG 3.46Å; R355-R359 PolarHBondContact O-N 2.99Å; R355-T413 HydrophobicContact CB-CG2 4.49Å |
| 356 | V | 91.3 | Very high | 90.2 | Very high | 31 Ų | 31 | 87.1 Ų | 87.1 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.9 | -50 | 177 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | H352 E353 K358 R359 R360 Y410 T413 T414 | H352-V356 WeakPolarHBondContact O-CG2 3.49Å; H352-V356 PolarHBondContact O-N 2.85Å; E353-V356 PolarHBondContact O-N 3.35Å; V356-K358 VanDerWaalsContact C-N 3.33Å; V356-K358 PolarHBondContact O-N 3.47Å; V356-R359 PolarHBondContact O-N 2.81Å; V356-R359 VanDerWaalsContact O-N 3.13Å; V356-R360 WeakPolarHBondContact O-CB 3.2Å; V356-R360 PolarHBondContact O-N 3.23Å; V356-Y410 HydrophobicContact CG1-CE2 4.04Å; V356-T413 HydrophobicContact CG2-CG2 3.86Å; V356-T414 HydrophobicContact CG1-CG2 4.1Å; V356-T414 HydrophobicContact CG2-CG2 4.46Å |
| 357 | K | 93.7 | Very high | 90.9 | Very high | 127 Ų | 127 | 80.3 Ų | 80.3 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.6 | -43.5 | 176.8 | -71.5 | 163.5 | 179.6 | 167.7 | 0 | 111.6 | E353 A361 | E353-K357 HydrophobicContact CB-CD 4.48Å; E353-K357 WeakPolarHBondContact O-CB 3.22Å; E353-K357 VanDerWaalsContact O-CG 3.28Å; E353-K357 WeakPolarHBondContact O-CG 3.48Å; E353-K357 PolarHBondContact O-N 3.05Å; E353-K357 IonicContact OE2-NZ 2.72Å; E353-K357 PolarHBondContact OE2-NZ 2.99Å; K357-A361 PolarHBondContact O-N 2.82Å |
| 358 | K | 95.1 | Very high | 91.5 | Very high | 124 Ų | 124 | 76.5 Ų | 76.5 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 175.4 | -177.6 | 176.3 | -178.9 | 176.2 | 0 | 113.5 | R354 R355 V356 R362 | R354-K358 WeakPolarHBondContact O-CB 3.33Å; R354-K358 PolarHBondContact O-N 3.28Å; R355-K358 PolarHBondContact O-N 3.45Å; V356-K358 VanDerWaalsContact C-N 3.33Å; V356-K358 PolarHBondContact O-N 3.47Å; K358-R362 WeakPolarHBondContact O-CG 3.45Å; K358-R362 PolarHBondContact O-N 3.28Å |
| 359 | R | 93.7 | Very high | 92.2 | Very high | 84 Ų | 84 | 80.4 Ų | 80.4 | 32% | 0.317 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.7 | -45 | 175.2 | -68.9 | -68.1 | -176.8 | -154.1 | -5.1 | 111.1 | R355 V356 A361 R362 L363 Y410 | R355-R359 VanDerWaalsContact O-CG 3.29Å; R355-R359 WeakPolarHBondContact O-CG 3.46Å; R355-R359 PolarHBondContact O-N 2.99Å; V356-R359 PolarHBondContact O-N 2.81Å; V356-R359 VanDerWaalsContact O-N 3.13Å; R359-A361 PolarHBondContact O-N 3.17Å; R359-R362 PolarHBondContact O-N 3.34Å; R359-L363 PolarHBondContact O-N 3.1Å; R359-Y410 HydrophobicContact CB-CD2 3.95Å |
| 360 | R | 94.4 | Very high | 92.6 | Very high | 136 Ų | 136 | 74.6 Ų | 74.6 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -53.9 | -51.3 | 174.9 | 179.7 | 174.1 | -177.6 | -158 | 2.6 | 111.6 | V356 R362 L363 V364 Y410 L447 | V356-R360 WeakPolarHBondContact O-CB 3.2Å; V356-R360 PolarHBondContact O-N 3.23Å; R360-R362 VanDerWaalsContact C-N 3.31Å; R360-R362 PolarHBondContact O-N 2.92Å; R360-L363 PolarHBondContact O-N 2.99Å; R360-V364 WeakPolarHBondContact O-CG2 3.41Å; R360-V364 PolarHBondContact O-N 3.2Å; R360-Y410 HydrophobicContact CB-CD2 4.31Å; R360-Y410 HydrophobicContact CB-CE2 3.9Å; R360-L447 HydrophobicContact CG-CD1 4.31Å; R360-L447 HydrophobicContact CG-CD2 3.88Å |
| 361 | A | 94.9 | Very high | 92.9 | Very high | 56 Ų | 56 | 73.1 Ų | 73.1 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K357 R359 V364 V365 | K357-A361 PolarHBondContact O-N 2.82Å; R359-A361 PolarHBondContact O-N 3.17Å; A361-V364 PolarHBondContact O-N 2.85Å; A361-V365 WeakPolarHBondContact O-CG2 3.37Å; A361-V365 PolarHBondContact O-N 2.89Å |
| 362 | R | 95.3 | Very high | 93.1 | Very high | 136 Ų | 136 | 72.2 Ų | 72.2 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 176.6 | -71.4 | 172.7 | 173.8 | -153.2 | -7.7 | 113.1 | K358 R359 R360 A366 | K358-R362 WeakPolarHBondContact O-CG 3.45Å; K358-R362 PolarHBondContact O-N 3.28Å; R359-R362 PolarHBondContact O-N 3.34Å; R360-R362 VanDerWaalsContact C-N 3.31Å; R360-R362 PolarHBondContact O-N 2.92Å; R362-A366 WeakPolarHBondContact O-CB 3.43Å; R362-A366 PolarHBondContact O-N 3.31Å; R362-A366 VanDerWaalsContact O-N 3.1Å |
| 363 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.8 | -44 | 175.6 | 173.1 | 57.8 | 0 | 0 | 0 | 111.3 | R359 R360 V365 A366 V367 A406 L407 Y410 L443 L447 | R359-L363 PolarHBondContact O-N 3.1Å; R360-L363 PolarHBondContact O-N 2.99Å; L363-V365 PolarHBondContact O-N 2.75Å; L363-A366 PolarHBondContact O-N 2.91Å; L363-V367 HydrophobicContact CD1-CG2 3.82Å; L363-V367 WeakPolarHBondContact O-CG2 3.43Å; L363-V367 PolarHBondContact O-N 3.24Å; L363-A406 HydrophobicContact CB-CB 4.48Å; L363-A406 HydrophobicContact CD1-CB 4.3Å; L363-L407 HydrophobicContact CD1-CB 3.82Å; L363-L407 HydrophobicContact CD1-CD1 4.06Å; L363-L407 HydrophobicContact CD2-CD1 3.81Å; L363-Y410 HydrophobicContact CD2-CD1 3.76Å; L363-Y410 HydrophobicContact CD2-CG 3.8Å; L363-L443 HydrophobicContact CD1-CD2 4.05Å; L363-L443 HydrophobicContact CD2-CD2 3.97Å; L363-L443 HydrophobicContact CG-CD2 3.66Å; L363-L447 HydrophobicContact CD2-CD2 4.02Å |
| 364 | V | 95.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56 | -52.6 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | R360 A361 A366 V367 E368 L443 L447 | R360-V364 WeakPolarHBondContact O-CG2 3.41Å; R360-V364 PolarHBondContact O-N 3.2Å; A361-V364 PolarHBondContact O-N 2.85Å; V364-A366 PolarHBondContact O-N 2.85Å; V364-V367 PolarHBondContact O-N 3.5Å; V364-E368 HydrophobicContact CG1-CG 4.42Å; V364-E368 WeakPolarHBondContact O-CB 3.41Å; V364-E368 WeakPolarHBondContact O-CG 3.45Å; V364-E368 PolarHBondContact O-N 2.95Å; V364-L443 HydrophobicContact CB-CD1 4.38Å; V364-L443 HydrophobicContact CG2-CD1 4.05Å; V364-L447 HydrophobicContact CG2-CD1 4.08Å |
| 365 | V | 95.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 68 Ų | 68 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 180 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | A361 L363 V367 E368 E369 | A361-V365 WeakPolarHBondContact O-CG2 3.37Å; A361-V365 PolarHBondContact O-N 2.89Å; L363-V365 PolarHBondContact O-N 2.75Å; V365-V367 VanDerWaalsContact C-N 3.29Å; V365-V367 PolarHBondContact O-N 3.02Å; V365-E368 PolarHBondContact O-N 3.47Å; V365-E369 HydrophobicContact CG1-CG 4.35Å; V365-E369 WeakPolarHBondContact CG1-OE1 3.32Å; V365-E369 WeakPolarHBondContact O-CG 3.49Å; V365-E369 PolarHBondContact O-N 3.27Å |
| 366 | A | 95.3 | Very high | 92.5 | Very high | 14 Ų | 14 | 71 Ų | 71 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -33.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R362 L363 V364 A370 A406 | R362-A366 WeakPolarHBondContact O-CB 3.43Å; R362-A366 PolarHBondContact O-N 3.31Å; R362-A366 VanDerWaalsContact O-N 3.1Å; L363-A366 PolarHBondContact O-N 2.91Å; V364-A366 PolarHBondContact O-N 2.85Å; A366-A370 WeakPolarHBondContact O-CB 3.42Å; A366-A370 PolarHBondContact O-N 3.45Å; A366-A370 VanDerWaalsContact O-N 3.13Å; A366-A406 HydrophobicContact CB-CB 3.93Å |
| 367 | V | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -77.9 | -37.9 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | L363 V364 V365 A370 F371 M403 P439 F442 L443 | L363-V367 HydrophobicContact CD1-CG2 3.82Å; L363-V367 WeakPolarHBondContact O-CG2 3.43Å; L363-V367 PolarHBondContact O-N 3.24Å; V364-V367 PolarHBondContact O-N 3.5Å; V365-V367 VanDerWaalsContact C-N 3.29Å; V365-V367 PolarHBondContact O-N 3.02Å; V367-A370 PolarHBondContact O-N 3.32Å; V367-F371 HydrophobicContact CG1-CD2 3.67Å; V367-F371 HydrophobicContact CG1-CE2 3.67Å; V367-F371 VanDerWaalsContact O-CD2 3.32Å; V367-F371 WeakPolarHBondContact O-CD2 3.47Å; V367-F371 PolarHBondContact O-N 2.93Å; V367-M403 HydrophobicContact CG1-CE 4.28Å; V367-M403 HydrophobicContact CG2-CB 4Å; V367-M403 HydrophobicContact CG2-CE 4.15Å; V367-M403 HydrophobicContact CG2-SD 3.95Å; V367-P439 HydrophobicContact CG1-CB 4.07Å; V367-F442 HydrophobicContact CG1-CD1 3.74Å; V367-F442 HydrophobicContact CG1-CE1 4.3Å; V367-F442 HydrophobicContact CG2-CD1 4.34Å; V367-F442 HydrophobicContact CG2-CE1 4.17Å; V367-L443 HydrophobicContact CB-CD1 4.18Å; V367-L443 HydrophobicContact CB-CD2 4.3Å; V367-L443 HydrophobicContact CB-CG 4.29Å; V367-L443 HydrophobicContact CG1-CD1 4.32Å; V367-L443 HydrophobicContact CG1-CG 4.15Å; V367-L443 HydrophobicContact CG2-CD2 3.87Å; V367-L443 HydrophobicContact CG2-CG 4.37Å |
| 368 | E | 94.8 | Very high | 91.1 | Very high | 65 Ų | 65 | 69.3 Ų | 69.3 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 173.6 | -74 | 175.5 | 163.1 | 0 | 0 | 111.1 | V364 V365 F371 I372 P439 | V364-E368 HydrophobicContact CG1-CG 4.42Å; V364-E368 WeakPolarHBondContact O-CB 3.41Å; V364-E368 WeakPolarHBondContact O-CG 3.45Å; V364-E368 PolarHBondContact O-N 2.95Å; V365-E368 PolarHBondContact O-N 3.47Å; E368-F371 PolarHBondContact O-N 2.81Å; E368-I372 WeakPolarHBondContact O-CD1 3.05Å; E368-I372 VanDerWaalsContact O-CG1 3.26Å; E368-I372 WeakPolarHBondContact O-CG1 3.44Å; E368-I372 PolarHBondContact O-N 3.36Å; E368-I372 VanDerWaalsContact O-N 3.07Å; E368-P439 HydrophobicContact CG-CB 3.85Å; E368-P439 HydrophobicContact CG-CG 4.18Å |
| 369 | E | 94.2 | Very high | 90.3 | Very high | 128 Ų | 128 | 65.8 Ų | 65.8 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 173.5 | -72.3 | 172.8 | 172.6 | 0 | 0 | 112.5 | V365 I372 H373 | V365-E369 HydrophobicContact CG1-CG 4.35Å; V365-E369 WeakPolarHBondContact CG1-OE1 3.32Å; V365-E369 WeakPolarHBondContact O-CG 3.49Å; V365-E369 PolarHBondContact O-N 3.27Å; E369-I372 PolarHBondContact O-N 3.3Å; E369-H373 PolarHBondContact O-N 2.86Å |
| 370 | A | 92.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A366 V367 H373 I374 I399 S402 M403 | A366-A370 WeakPolarHBondContact O-CB 3.42Å; A366-A370 PolarHBondContact O-N 3.45Å; A366-A370 VanDerWaalsContact O-N 3.13Å; V367-A370 PolarHBondContact O-N 3.32Å; A370-H373 VanDerWaalsContact O-CB 3.26Å; A370-H373 WeakPolarHBondContact O-CB 3.41Å; A370-H373 PolarHBondContact O-N 3.36Å; A370-I374 PolarHBondContact O-N 3.46Å; A370-I374 VanDerWaalsContact O-N 3.15Å; A370-I399 HydrophobicContact CB-CB 4.43Å; A370-I399 HydrophobicContact CB-CD1 4.21Å; A370-S402 WeakPolarHBondContact CB-OG 3.42Å; A370-M403 HydrophobicContact CB-CE 3.41Å; A370-M403 VanDerWaalsContact CB-CE 3.41Å |
| 371 | F | 91.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 63 Ų | 63 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.2 | -32.7 | 176.5 | -88.7 | -111.2 | 0 | 0 | 0 | 112.5 | V367 E368 H373 I374 Q375 M403 L429 C432 M437 P439 F442 | V367-F371 HydrophobicContact CG1-CD2 3.67Å; V367-F371 HydrophobicContact CG1-CE2 3.67Å; V367-F371 VanDerWaalsContact O-CD2 3.32Å; V367-F371 WeakPolarHBondContact O-CD2 3.47Å; V367-F371 PolarHBondContact O-N 2.93Å; E368-F371 PolarHBondContact O-N 2.81Å; F371-H373 PolarHBondContact O-N 3.1Å; F371-I374 HydrophobicContact CD1-CD1 4.22Å; F371-I374 HydrophobicContact CD2-CD1 4.4Å; F371-I374 HydrophobicContact CG-CD1 4.16Å; F371-I374 PolarHBondContact O-N 3.37Å; F371-Q375 WeakPolarHBondContact O-CG 3.39Å; F371-Q375 PolarHBondContact O-N 3.18Å; F371-M403 HydrophobicContact CE2-CE 4.4Å; F371-L429 HydrophobicContact CE2-CD1 3.68Å; F371-L429 HydrophobicContact CZ-CD1 3.8Å; F371-C432 HydrophobicContact CZ-CB 4.27Å; F371-M437 WeakPolarHBondContact CE1-O 3.27Å; F371-P439 HydrophobicContact CB-CG 3.67Å; F371-P439 HydrophobicContact CD1-CG 4.13Å; F371-P439 HydrophobicContact CD2-CB 4.46Å; F371-P439 HydrophobicContact CD2-CG 4.4Å; F371-P439 HydrophobicContact CG-CB 4.35Å; F371-P439 HydrophobicContact CG-CG 3.82Å; F371-F442 HydrophobicContact CE2-CB 4.13Å; F371-F442 HydrophobicContact CE2-CD1 4.41Å; F371-F442 HydrophobicContact CE2-CG 4.23Å; F371-F442 HydrophobicContact CZ-CB 3.79Å; F371-F442 HydrophobicContact CZ-CG 4.21Å |
| 372 | I | 90.8 | Very high | 86.9 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 169.3 | -70.1 | 164.1 | 0 | 0 | 0 | 110.4 | E368 E369 Q375 R376 | E368-I372 WeakPolarHBondContact O-CD1 3.05Å; E368-I372 VanDerWaalsContact O-CG1 3.26Å; E368-I372 WeakPolarHBondContact O-CG1 3.44Å; E368-I372 PolarHBondContact O-N 3.36Å; E368-I372 VanDerWaalsContact O-N 3.07Å; E369-I372 PolarHBondContact O-N 3.3Å; I372-Q375 PolarHBondContact O-N 3.08Å; I372-R376 WeakPolarHBondContact O-CG 3.33Å; I372-R376 PolarHBondContact O-N 3.18Å; I372-R376 VanDerWaalsContact O-N 3.12Å |
| 373 | H | 88.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 49% | 0.486 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 173.3 | -165.8 | -88.5 | 0 | 0 | 0 | 112.1 | E369 A370 F371 Q375 R376 L377 | E369-H373 PolarHBondContact O-N 2.86Å; A370-H373 VanDerWaalsContact O-CB 3.26Å; A370-H373 WeakPolarHBondContact O-CB 3.41Å; A370-H373 PolarHBondContact O-N 3.36Å; F371-H373 PolarHBondContact O-N 3.1Å; H373-Q375 PolarHBondContact O-N 3.19Å; H373-R376 PolarHBondContact O-N 3.2Å; H373-L377 WeakPolarHBondContact O-CG 3.48Å; H373-L377 PolarHBondContact O-N 3.46Å |
| 374 | I | 85.1 | Confident | 83.8 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 5% | 0.051 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 173.8 | -54.6 | 165.2 | 0 | 0 | 0 | 110.9 | A370 F371 R376 L377 Q378 I399 I433 | A370-I374 PolarHBondContact O-N 3.46Å; A370-I374 VanDerWaalsContact O-N 3.15Å; F371-I374 HydrophobicContact CD1-CD1 4.22Å; F371-I374 HydrophobicContact CD2-CD1 4.4Å; F371-I374 HydrophobicContact CG-CD1 4.16Å; F371-I374 PolarHBondContact O-N 3.37Å; I374-R376 PolarHBondContact O-N 2.87Å; I374-L377 PolarHBondContact O-N 3.44Å; I374-L377 VanDerWaalsContact O-N 3.17Å; I374-Q378 HydrophobicContact CG2-CG 4.05Å; I374-Q378 WeakPolarHBondContact O-CB 3.32Å; I374-Q378 WeakPolarHBondContact O-CG 3.39Å; I374-Q378 PolarHBondContact O-N 2.89Å; I374-I399 HydrophobicContact CD1-CD1 3.31Å; I374-I399 HydrophobicContact CD1-CG1 4.4Å; I374-I399 HydrophobicContact CG1-CD1 3.68Å; I374-I399 HydrophobicContact CG1-CG1 4.42Å; I374-I399 HydrophobicContact CG1-CG2 3.88Å; I374-I433 HydrophobicContact CD1-CD1 3.81Å; I374-I433 HydrophobicContact CD1-CG1 3.7Å |
| 375 | Q | 83.9 | Confident | 82 | Confident | 124 Ų | 124 | 80.6 Ų | 80.6 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.3 | -32.7 | -177.8 | -72.9 | 178.6 | -12.1 | 0 | 0 | 112.5 | F371 I372 H373 A379 | F371-Q375 WeakPolarHBondContact O-CG 3.39Å; F371-Q375 PolarHBondContact O-N 3.18Å; I372-Q375 PolarHBondContact O-N 3.08Å; H373-Q375 PolarHBondContact O-N 3.19Å; Q375-A379 WeakPolarHBondContact O-CB 3.38Å; Q375-A379 PolarHBondContact O-N 2.62Å; Q375-A379 VanDerWaalsContact O-N 3.14Å |
| 376 | R | 84.1 | Confident | 80 | Confident | 158 Ų | 158 | 83.9 Ų | 83.9 | 60% | 0.596 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -70.4 | -48.9 | 173 | -70.4 | 172.8 | -174.3 | 174.9 | 2.8 | 111.7 | I372 H373 I374 Q378 A379 E380 | I372-R376 WeakPolarHBondContact O-CG 3.33Å; I372-R376 PolarHBondContact O-N 3.18Å; I372-R376 VanDerWaalsContact O-N 3.12Å; H373-R376 PolarHBondContact O-N 3.2Å; I374-R376 PolarHBondContact O-N 2.87Å; R376-Q378 VanDerWaalsContact C-N 3.32Å; R376-Q378 PolarHBondContact O-N 2.89Å; R376-A379 PolarHBondContact O-N 2.88Å; R376-A379 VanDerWaalsContact O-N 3.1Å; R376-E380 WeakPolarHBondContact O-CG 3.31Å; R376-E380 PolarHBondContact O-N 3.41Å |
| 377 | L | 79.9 | Confident | 78.1 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 24% | 0.241 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.3 | -45.9 | 175.9 | -69.8 | 174.6 | 0 | 0 | 0 | 111.6 | H373 I374 A379 E380 E381 | H373-L377 WeakPolarHBondContact O-CG 3.48Å; H373-L377 PolarHBondContact O-N 3.46Å; I374-L377 PolarHBondContact O-N 3.44Å; I374-L377 VanDerWaalsContact O-N 3.17Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.41Å; L377-E380 PolarHBondContact O-N 2.94Å; L377-E381 WeakPolarHBondContact O-CB 3.32Å; L377-E381 WeakPolarHBondContact O-CG 3.47Å; L377-E381 PolarHBondContact O-N 3.38Å |
| 378 | Q | 76.7 | Confident | 76.3 | Confident | 75 Ų | 75 | 95.3 Ų | 95.3 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -36 | 176.9 | -72.5 | 179.1 | -26.9 | 0 | 0 | 112.9 | I374 R376 Q382 | I374-Q378 HydrophobicContact CG2-CG 4.05Å; I374-Q378 WeakPolarHBondContact O-CB 3.32Å; I374-Q378 WeakPolarHBondContact O-CG 3.39Å; I374-Q378 PolarHBondContact O-N 2.89Å; R376-Q378 VanDerWaalsContact C-N 3.32Å; R376-Q378 PolarHBondContact O-N 2.89Å; Q378-Q382 WeakPolarHBondContact O-CB 3.46Å; Q378-Q382 VanDerWaalsContact O-CG 3.22Å; Q378-Q382 WeakPolarHBondContact O-CG 3.34Å; Q378-Q382 PolarHBondContact O-N 2.91Å |
| 379 | A | 79 | Confident | 74.8 | Confident | 50 Ų | 50 | 98.7 Ų | 98.7 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.9 | -34.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q375 R376 L377 | Q375-A379 WeakPolarHBondContact O-CB 3.38Å; Q375-A379 PolarHBondContact O-N 2.62Å; Q375-A379 VanDerWaalsContact O-N 3.14Å; R376-A379 PolarHBondContact O-N 2.88Å; R376-A379 VanDerWaalsContact O-N 3.1Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.41Å |
| 380 | E | 76.8 | Confident | 73.5 | Confident | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72 | -35.1 | 174.5 | -71.1 | 170.9 | -156.2 | 0 | 0 | 112 | R376 L377 Q383 | R376-E380 WeakPolarHBondContact O-CG 3.31Å; R376-E380 PolarHBondContact O-N 3.41Å; L377-E380 PolarHBondContact O-N 2.94Å; E380-Q383 PolarHBondContact O-N 3.07Å |
| 381 | E | 68.9 | Low | 73.1 | Confident | 53 Ų | 53 | 99 Ų | 99 | 25% | 0.248 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -70.4 | -37.6 | 173.4 | -76.8 | 175.6 | -178.4 | 0 | 0 | 112.5 | L377 Q383 K384 M390 | L377-E381 WeakPolarHBondContact O-CB 3.32Å; L377-E381 WeakPolarHBondContact O-CG 3.47Å; L377-E381 PolarHBondContact O-N 3.38Å; E381-Q383 PolarHBondContact O-N 3.23Å; E381-Q383 VanDerWaalsContact O-N 3.15Å; E381-K384 PolarHBondContact O-N 3.3Å; E381-M390 WeakPolarHBondContact OE1-CE 3.28Å |
| 382 | Q | 64.4 | Low | 72.7 | Confident | 167 Ų | 167 | 100.2 Ų | 100.2 | 78% | 0.78 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.6 | 173 | -77.1 | 171.6 | 19.1 | 0 | 0 | 113.7 | Q378 | Q378-Q382 WeakPolarHBondContact O-CB 3.46Å; Q378-Q382 VanDerWaalsContact O-CG 3.22Å; Q378-Q382 WeakPolarHBondContact O-CG 3.34Å; Q378-Q382 PolarHBondContact O-N 2.91Å |
| 383 | Q | 65.9 | Low | 72.5 | Confident | 175 Ų | 175 | 102.6 Ų | 102.6 | 82% | 0.818 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.9 | 171.6 | -70.8 | -174.6 | -11.6 | 0 | 0 | 113.8 | E380 E381 | E380-Q383 PolarHBondContact O-N 3.07Å; E381-Q383 PolarHBondContact O-N 3.23Å; E381-Q383 VanDerWaalsContact O-N 3.15Å |
| 384 | K | 61 | Low | 72.5 | Confident | 152 Ų | 152 | 103 Ų | 103 | 66% | 0.661 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -95.8 | 163.9 | 177.5 | -69.3 | 175.8 | -176.7 | 169.4 | 0 | 111.5 | E381 | E381-K384 PolarHBondContact O-N 3.3Š|
| 385 | S | 56.1 | Low | 72.6 | Confident | 102 Ų | 102 | 102.9 Ų | 102.9 | 71% | 0.713 | 54% | 0.537 | S | S | * | . | trans | -61.1 | 144.9 | 180 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | G387 | S385-G387 PolarHBondContact O-N 2.78Š| ||
| 386 | P | 54.3 | Low | 72.9 | Confident | 139 Ų | 139 | 97 Ų | 97 | 90% | 0.903 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 43.1 | -163.4 | 34.1 | -40 | 0 | 0 | 0 | 115.1 | ||
| 387 | G | 55.9 | Low | 73.2 | Confident | 76 Ų | 76 | 94.9 Ų | 94.9 | 78% | 0.784 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -17.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S385 | S385-G387 PolarHBondContact O-N 2.78Š|
| 388 | E | 57.5 | Low | 73.6 | Confident | 179 Ų | 179 | 95.9 Ų | 95.9 | 84% | 0.836 | 52% | 0.521 | S | S | * | . | trans | -141.5 | 82.8 | -168.6 | -162.8 | 165.5 | -140.8 | 0 | 0 | 109.8 | ||||
| 389 | V | 63.6 | Low | 74.2 | Confident | 135 Ų | 135 | 92.6 Ų | 92.6 | 82% | 0.818 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 119.7 | 170.7 | -180 | 0 | 0 | 0 | 0 | 107.2 | D391 | V389-D391 PolarHBondContact O-N 3.19Š|
| 390 | M | 67.1 | Low | 74.8 | Confident | 51 Ų | 51 | 90.9 Ų | 90.9 | 25% | 0.251 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 134.3 | -178.8 | -176.1 | -177.8 | -72.8 | 0 | 0 | 111.5 | E381 E394 A395 | E381-M390 WeakPolarHBondContact OE1-CE 3.28Å; M390-E394 HydrophobicContact CG-CB 4.11Å; M390-E394 HydrophobicContact CG-CG 4.14Å; M390-A395 HydrophobicContact CG-CB 4.19Å; M390-A395 WeakPolarHBondContact SD-CA 3.47Å; M390-A395 HydrophobicContact SD-CB 3.59Å; M390-A395 VanDerWaalsContact SD-CB 3.59Å |
| 391 | D | 82.8 | Confident | 75.5 | Confident | 86 Ų | 86 | 90.2 Ų | 90.2 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 133.7 | 176.4 | 179.3 | 57.1 | 0 | 0 | 0 | 110.2 | V389 R393 E394 A395 | V389-D391 PolarHBondContact O-N 3.19Å; D391-R393 PolarHBondContact O-N 2.79Å; D391-R393 WeakPolarHBondContact OD2-CB 3.34Å; D391-R393 PolarHBondContact OD2-N 3.02Å; D391-R393 VanDerWaalsContact OD2-N 3.17Å; D391-E394 HydrophobicContact CB-CB 4.28Å; D391-E394 WeakPolarHBondContact O-CA 3.34Å; D391-E394 WeakPolarHBondContact O-CB 3.39Å; D391-E394 PolarHBondContact O-N 3.48Å; D391-A395 PolarHBondContact O-N 3.24Å |
| 392 | P | 84.4 | Confident | 76.5 | Confident | 37 Ų | 37 | 91.2 Ų | 91.2 | 24% | 0.24 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -57.4 | -21.5 | -179.6 | -30.4 | 37.4 | 0 | 0 | 0 | 115.3 | A396 A430 I433 T434 | P392-A396 WeakPolarHBondContact O-CB 3.47Å; P392-A396 PolarHBondContact O-N 2.91Å; P392-A396 VanDerWaalsContact O-N 3.16Å; P392-A430 WeakPolarHBondContact O-CB 3.37Å; P392-I433 HydrophobicContact CB-CB 4.5Å; P392-I433 HydrophobicContact CB-CG2 4.24Å; P392-T434 VanDerWaalsContact CB-OG1 3.28Å; P392-T434 WeakPolarHBondContact CB-OG1 3.32Å; P392-T434 WeakPolarHBondContact CG-OG1 3.26Å |
| 393 | R | 87.4 | Confident | 77.9 | Confident | 126 Ų | 126 | 83.3 Ų | 83.3 | 48% | 0.475 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.5 | -39 | 171.3 | -60.9 | 177.1 | 160.4 | -121.5 | -3.9 | 112.2 | D391 A396 Q397 E423 A430 | D391-R393 PolarHBondContact O-N 2.79Å; D391-R393 WeakPolarHBondContact OD2-CB 3.34Å; D391-R393 PolarHBondContact OD2-N 3.02Å; D391-R393 VanDerWaalsContact OD2-N 3.17Å; R393-A396 WeakPolarHBondContact O-CB 3.46Å; R393-A396 PolarHBondContact O-N 3.26Å; R393-Q397 WeakPolarHBondContact O-CG 3.38Å; R393-Q397 PolarHBondContact O-N 3.14Å; R393-E423 IonicContact NH1-OE1 2.61Å; R393-E423 PolarHBondContact NH1-OE1 2.88Å; R393-A430 HydrophobicContact CG-CB 4.03Å |
| 394 | E | 88.4 | Confident | 79 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 52% | 0.523 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 174.1 | -176.2 | 175.6 | -161.2 | 0 | 0 | 110.5 | M390 D391 A396 Q397 A398 | M390-E394 HydrophobicContact CG-CB 4.11Å; M390-E394 HydrophobicContact CG-CG 4.14Å; D391-E394 HydrophobicContact CB-CB 4.28Å; D391-E394 WeakPolarHBondContact O-CA 3.34Å; D391-E394 WeakPolarHBondContact O-CB 3.39Å; D391-E394 PolarHBondContact O-N 3.48Å; E394-A396 VanDerWaalsContact C-N 3.3Å; E394-A396 PolarHBondContact O-N 3.36Å; E394-Q397 PolarHBondContact O-N 3.48Å; E394-Q397 VanDerWaalsContact O-N 3.15Å; E394-A398 WeakPolarHBondContact O-CB 3.5Å; E394-A398 PolarHBondContact O-N 3.03Å |
| 395 | A | 86.9 | Confident | 80.5 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 7% | 0.074 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.8 | -44.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M390 D391 A398 I399 I433 | M390-A395 HydrophobicContact CG-CB 4.19Å; M390-A395 WeakPolarHBondContact SD-CA 3.47Å; M390-A395 HydrophobicContact SD-CB 3.59Å; M390-A395 VanDerWaalsContact SD-CB 3.59Å; D391-A395 PolarHBondContact O-N 3.24Å; A395-A398 PolarHBondContact O-N 3.49Å; A395-I399 WeakPolarHBondContact O-CG1 3.44Å; A395-I399 PolarHBondContact O-N 3.46Å; A395-I433 HydrophobicContact CB-CD1 4Å; A395-I433 HydrophobicContact CB-CG2 4.42Å |
| 396 | A | 89.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P392 R393 E394 F400 L429 A430 I433 | P392-A396 WeakPolarHBondContact O-CB 3.47Å; P392-A396 PolarHBondContact O-N 2.91Å; P392-A396 VanDerWaalsContact O-N 3.16Å; R393-A396 WeakPolarHBondContact O-CB 3.46Å; R393-A396 PolarHBondContact O-N 3.26Å; E394-A396 VanDerWaalsContact C-N 3.3Å; E394-A396 PolarHBondContact O-N 3.36Å; A396-F400 VanDerWaalsContact O-CB 3.26Å; A396-F400 WeakPolarHBondContact O-CB 3.23Å; A396-F400 PolarHBondContact O-N 2.69Å; A396-L429 HydrophobicContact CB-CB 4Å; A396-L429 HydrophobicContact CB-CD2 3.94Å; A396-L429 HydrophobicContact CB-CG 3.78Å; A396-A430 HydrophobicContact CB-CB 4.07Å; A396-I433 HydrophobicContact CB-CD1 3.97Å |
| 397 | Q | 90.6 | Very high | 84 | Confident | 114 Ų | 114 | 65.1 Ų | 65.1 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 177.9 | -74.5 | 175.9 | 1.1 | 0 | 0 | 112.1 | R393 E394 I399 P401 L426 | R393-Q397 WeakPolarHBondContact O-CG 3.38Å; R393-Q397 PolarHBondContact O-N 3.14Å; E394-Q397 PolarHBondContact O-N 3.48Å; E394-Q397 VanDerWaalsContact O-N 3.15Å; Q397-I399 PolarHBondContact O-N 3.34Å; Q397-P401 VanDerWaalsContact O-CD 3.22Å; Q397-P401 WeakPolarHBondContact O-CD 3.34Å; Q397-L426 HydrophobicContact CG-CD1 4.19Å; Q397-L426 HydrophobicContact CG-CD2 4.19Å |
| 398 | A | 88.5 | Confident | 85.7 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 55% | 0.554 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.9 | -41.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E394 A395 | E394-A398 WeakPolarHBondContact O-CB 3.5Å; E394-A398 PolarHBondContact O-N 3.03Å; A395-A398 PolarHBondContact O-N 3.49Å |
| 399 | I | 89.3 | Confident | 87.3 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -88.3 | -24.4 | -178 | 67 | 157.3 | 0 | 0 | 0 | 114.3 | A370 I374 A395 Q397 P401 S402 M403 L429 | A370-I399 HydrophobicContact CB-CB 4.43Å; A370-I399 HydrophobicContact CB-CD1 4.21Å; I374-I399 HydrophobicContact CD1-CD1 3.31Å; I374-I399 HydrophobicContact CD1-CG1 4.4Å; I374-I399 HydrophobicContact CG1-CD1 3.68Å; I374-I399 HydrophobicContact CG1-CG1 4.42Å; I374-I399 HydrophobicContact CG1-CG2 3.88Å; A395-I399 WeakPolarHBondContact O-CG1 3.44Å; A395-I399 PolarHBondContact O-N 3.46Å; Q397-I399 PolarHBondContact O-N 3.34Å; I399-P401 VanDerWaalsContact C-CD 3.44Å; I399-S402 WeakPolarHBondContact O-CB 3.43Å; I399-S402 PolarHBondContact O-N 3.25Å; I399-S402 PolarHBondContact O-OG 2.93Å; I399-M403 HydrophobicContact CD1-CE 3.8Å; I399-M403 HydrophobicContact CG1-CE 4.44Å; I399-L429 HydrophobicContact CD1-CD1 4.05Å; I399-L429 HydrophobicContact CD1-CD2 3.95Å; I399-L429 HydrophobicContact CD1-CG 4.32Å; I399-L429 HydrophobicContact CG1-CD2 3.94Å |
| 400 | F | 91.8 | Very high | 88.6 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53 | -42.1 | -172.7 | 175.4 | -110.3 | 0 | 0 | 0 | 114.2 | A396 S402 M403 A404 M422 I425 L426 L429 | A396-F400 VanDerWaalsContact O-CB 3.26Å; A396-F400 WeakPolarHBondContact O-CB 3.23Å; A396-F400 PolarHBondContact O-N 2.69Å; F400-S402 PolarHBondContact O-N 3Å; F400-S402 VanDerWaalsContact O-N 3.13Å; F400-M403 HydrophobicContact CD2-CG 4.32Å; F400-M403 VanDerWaalsContact O-CG 3.27Å; F400-M403 WeakPolarHBondContact O-CG 3.38Å; F400-M403 PolarHBondContact O-N 3.43Å; F400-M403 VanDerWaalsContact O-N 3.08Å; F400-A404 HydrophobicContact CD1-CB 4.17Å; F400-A404 HydrophobicContact CD2-CB 4.39Å; F400-A404 HydrophobicContact CE1-CB 3.8Å; F400-A404 HydrophobicContact CE2-CB 4.02Å; F400-A404 HydrophobicContact CG-CB 4.46Å; F400-A404 HydrophobicContact CZ-CB 3.72Å; F400-A404 VanDerWaalsContact O-CB 3.32Å; F400-A404 WeakPolarHBondContact O-CB 3.42Å; F400-A404 PolarHBondContact O-N 3.34Å; F400-M422 HydrophobicContact CD1-CE 4.03Å; F400-M422 HydrophobicContact CE1-CE 3.84Å; F400-M422 HydrophobicContact CE1-CG 3.87Å; F400-M422 HydrophobicContact CE1-SD 3.83Å; F400-M422 HydrophobicContact CZ-CG 4.18Å; F400-I425 HydrophobicContact CD2-CG2 4.13Å; F400-I425 HydrophobicContact CE2-CB 4.42Å; F400-I425 HydrophobicContact CE2-CG2 3.62Å; F400-L426 HydrophobicContact CB-CD2 3.64Å; F400-L426 HydrophobicContact CD1-CD2 4.1Å; F400-L426 HydrophobicContact CD2-CD2 4.28Å; F400-L426 HydrophobicContact CG-CD2 3.75Å; F400-L429 HydrophobicContact CB-CD2 4.33Å |
| 401 | P | 92 | Very high | 89.7 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -54.7 | -32.1 | 177.1 | -28.7 | 36.5 | 0 | 0 | 0 | 114.9 | Q397 I399 M403 | Q397-P401 VanDerWaalsContact O-CD 3.22Å; Q397-P401 WeakPolarHBondContact O-CD 3.34Å; I399-P401 VanDerWaalsContact C-CD 3.44Å; P401-M403 VanDerWaalsContact C-N 3.33Å; P401-M403 PolarHBondContact O-N 2.96Å |
| 402 | S | 89.9 | Confident | 90 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 52% | 0.524 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.3 | -33.7 | 179.6 | 70.3 | 0 | 0 | 0 | 0 | 113 | A370 I399 F400 | A370-S402 WeakPolarHBondContact CB-OG 3.42Å; I399-S402 WeakPolarHBondContact O-CB 3.43Å; I399-S402 PolarHBondContact O-N 3.25Å; I399-S402 PolarHBondContact O-OG 2.93Å; F400-S402 PolarHBondContact O-N 3Å; F400-S402 VanDerWaalsContact O-N 3.13Å |
| 403 | M | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -102.4 | -23.4 | -178.7 | 64.1 | 173.6 | 72.7 | 0 | 0 | 113.9 | V367 A370 F371 I399 F400 P401 R405 A406 L407 L429 F442 | V367-M403 HydrophobicContact CG1-CE 4.28Å; V367-M403 HydrophobicContact CG2-CB 4Å; V367-M403 HydrophobicContact CG2-CE 4.15Å; V367-M403 HydrophobicContact CG2-SD 3.95Å; A370-M403 HydrophobicContact CB-CE 3.41Å; A370-M403 VanDerWaalsContact CB-CE 3.41Å; F371-M403 HydrophobicContact CE2-CE 4.4Å; I399-M403 HydrophobicContact CD1-CE 3.8Å; I399-M403 HydrophobicContact CG1-CE 4.44Å; F400-M403 HydrophobicContact CD2-CG 4.32Å; F400-M403 VanDerWaalsContact O-CG 3.27Å; F400-M403 WeakPolarHBondContact O-CG 3.38Å; F400-M403 PolarHBondContact O-N 3.43Å; F400-M403 VanDerWaalsContact O-N 3.08Å; P401-M403 VanDerWaalsContact C-N 3.33Å; P401-M403 PolarHBondContact O-N 2.96Å; M403-R405 VanDerWaalsContact C-N 3.34Å; M403-R405 PolarHBondContact O-N 3.2Å; M403-A406 WeakPolarHBondContact O-CA 3.44Å; M403-A406 WeakPolarHBondContact O-CB 3.4Å; M403-A406 PolarHBondContact O-N 3.39Å; M403-L407 PolarHBondContact O-N 2.61Å; M403-L429 HydrophobicContact CE-CD1 4.35Å; M403-L429 HydrophobicContact CE-CD2 4.35Å; M403-L429 HydrophobicContact SD-CD2 4.28Å; M403-F442 HydrophobicContact SD-CE1 3.82Å; M403-F442 HydrophobicContact SD-CZ 4Å |
| 404 | A | 90.6 | Very high | 90 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51 | -48.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F400 A406 L407 Q408 | F400-A404 HydrophobicContact CD1-CB 4.17Å; F400-A404 HydrophobicContact CD2-CB 4.39Å; F400-A404 HydrophobicContact CE1-CB 3.8Å; F400-A404 HydrophobicContact CE2-CB 4.02Å; F400-A404 HydrophobicContact CG-CB 4.46Å; F400-A404 HydrophobicContact CZ-CB 3.72Å; F400-A404 VanDerWaalsContact O-CB 3.32Å; F400-A404 WeakPolarHBondContact O-CB 3.42Å; F400-A404 PolarHBondContact O-N 3.34Å; A404-A406 VanDerWaalsContact C-N 3.3Å; A404-A406 PolarHBondContact O-N 2.8Å; A404-L407 PolarHBondContact O-N 2.77Å; A404-Q408 VanDerWaalsContact O-CB 3.28Å; A404-Q408 WeakPolarHBondContact O-CB 3.28Å; A404-Q408 PolarHBondContact O-N 2.88Å |
| 405 | R | 91.3 | Very high | 89.8 | Confident | 157 Ų | 157 | 42.2 Ų | 42.2 | 59% | 0.592 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -66.1 | -28.8 | 179.8 | -167.8 | -179.1 | -171.8 | -133.4 | 10.3 | 113.5 | M403 K409 | M403-R405 VanDerWaalsContact C-N 3.34Å; M403-R405 PolarHBondContact O-N 3.2Å; R405-K409 HydrophobicContact CG-CD 4.37Å; R405-K409 WeakPolarHBondContact O-CB 3.37Å; R405-K409 VanDerWaalsContact O-CG 3.23Å; R405-K409 WeakPolarHBondContact O-CG 3.48Å; R405-K409 PolarHBondContact O-N 3.33Å |
| 406 | A | 92.1 | Very high | 89.5 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 17% | 0.165 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -75.8 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L363 A366 M403 A404 Y410 | L363-A406 HydrophobicContact CB-CB 4.48Å; L363-A406 HydrophobicContact CD1-CB 4.3Å; A366-A406 HydrophobicContact CB-CB 3.93Å; M403-A406 WeakPolarHBondContact O-CA 3.44Å; M403-A406 WeakPolarHBondContact O-CB 3.4Å; M403-A406 PolarHBondContact O-N 3.39Å; A404-A406 VanDerWaalsContact C-N 3.3Å; A404-A406 PolarHBondContact O-N 2.8Å; A406-Y410 PolarHBondContact O-N 2.72Å |
| 407 | L | 92.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -54.1 | 178.7 | -177.9 | 60.1 | 0 | 0 | 0 | 111.6 | L363 M403 A404 K409 Y410 L411 I425 Y446 | L363-L407 HydrophobicContact CD1-CB 3.82Å; L363-L407 HydrophobicContact CD1-CD1 4.06Å; L363-L407 HydrophobicContact CD2-CD1 3.81Å; M403-L407 PolarHBondContact O-N 2.61Å; A404-L407 PolarHBondContact O-N 2.77Å; L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.88Å; L407-Y410 CarbonylContact O-C 3.6Å; L407-Y410 WeakPolarHBondContact O-CA 3.48Å; L407-Y410 WeakPolarHBondContact O-CB 3.37Å; L407-Y410 PolarHBondContact O-N 3.02Å; L407-L411 HydrophobicContact CD1-CD1 4.1Å; L407-L411 HydrophobicContact CD1-CD2 4.49Å; L407-L411 HydrophobicContact CD1-CG 4.1Å; L407-L411 HydrophobicContact CG-CD1 3.99Å; L407-L411 HydrophobicContact CG-CG 4.36Å; L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 3.05Å; L407-I425 HydrophobicContact CD2-CD1 3.98Å; L407-I425 HydrophobicContact CD2-CG1 4.39Å; L407-I425 HydrophobicContact CD2-CG2 3.78Å; L407-Y446 HydrophobicContact CD1-CD1 4.16Å; L407-Y446 HydrophobicContact CD1-CD2 4.24Å; L407-Y446 HydrophobicContact CD1-CG 3.93Å |
| 408 | Q | 90.9 | Very high | 88.6 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -39.7 | 178.2 | -165.3 | -162.7 | 29.1 | 0 | 0 | 111.7 | D72 N73 A404 R412 | D72-Q408 PolarHBondContact O-NE2 3.08Å; N73-Q408 PolarHBondContact OD1-NE2 2.65Å; A404-Q408 VanDerWaalsContact O-CB 3.28Å; A404-Q408 WeakPolarHBondContact O-CB 3.28Å; A404-Q408 PolarHBondContact O-N 2.88Å; Q408-R412 VanDerWaalsContact NE2-NH2 3.19Å; Q408-R412 VanDerWaalsContact O-CB 3.32Å; Q408-R412 WeakPolarHBondContact O-CB 3.28Å; Q408-R412 WeakPolarHBondContact O-CG 3.38Å; Q408-R412 PolarHBondContact O-N 2.94Å |
| 409 | K | 91.1 | Very high | 88.1 | Confident | 51 Ų | 51 | 42.7 Ų | 42.7 | 22% | 0.222 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.7 | -25.9 | 175.8 | -72.3 | -176.4 | -177.6 | -169.7 | 0 | 113.7 | R405 L407 T413 | R405-K409 HydrophobicContact CG-CD 4.37Å; R405-K409 WeakPolarHBondContact O-CB 3.37Å; R405-K409 VanDerWaalsContact O-CG 3.23Å; R405-K409 WeakPolarHBondContact O-CG 3.48Å; R405-K409 PolarHBondContact O-N 3.33Å; L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.88Å; K409-T413 WeakPolarHBondContact O-CB 3.36Å; K409-T413 PolarHBondContact O-N 2.86Å; K409-T413 PolarHBondContact O-OG1 2.82Å |
| 410 | Y | 92.1 | Very high | 87.8 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.2 | -56.5 | 169.3 | 178.7 | -102.9 | 0 | 0 | 0 | 109.8 | V356 R359 R360 L363 A406 L407 R412 T413 T414 Y446 L447 | V356-Y410 HydrophobicContact CG1-CE2 4.04Å; R359-Y410 HydrophobicContact CB-CD2 3.95Å; R360-Y410 HydrophobicContact CB-CD2 4.31Å; R360-Y410 HydrophobicContact CB-CE2 3.9Å; L363-Y410 HydrophobicContact CD2-CD1 3.76Å; L363-Y410 HydrophobicContact CD2-CG 3.8Å; A406-Y410 PolarHBondContact O-N 2.72Å; L407-Y410 CarbonylContact O-C 3.6Å; L407-Y410 WeakPolarHBondContact O-CA 3.48Å; L407-Y410 WeakPolarHBondContact O-CB 3.37Å; L407-Y410 PolarHBondContact O-N 3.02Å; Y410-R412 PolarHBondContact O-N 3.15Å; Y410-T413 CarbonylContact O-C 3.6Å; Y410-T413 WeakPolarHBondContact O-CA 3.34Å; Y410-T413 WeakPolarHBondContact O-CB 3.33Å; Y410-T413 PolarHBondContact O-N 3.1Å; Y410-T414 HydrophobicContact CD2-CG2 4.37Å; Y410-T414 HydrophobicContact CE1-CG2 4.11Å; Y410-T414 HydrophobicContact CE2-CG2 3.86Å; Y410-T414 PolarHBondContact O-N 3.16Å; Y410-T414 PolarHBondContact O-OG1 2.9Å; Y410-T414 VanDerWaalsContact O-OG1 3.08Å; Y410-Y446 WeakPolarHBondContact CE1-O 3.49Å; Y410-L447 HydrophobicContact CD1-CD2 4.27Å; Y410-L447 HydrophobicContact CE1-CD2 3.66Å; Y410-L447 HydrophobicContact CE2-CD2 4.1Å |
| 411 | L | 89.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.2 | -43 | -179 | -63.7 | 178.8 | 0 | 0 | 0 | 113.3 | L407 T413 T414 R415 Q416 H420 Y446 | L407-L411 HydrophobicContact CD1-CD1 4.1Å; L407-L411 HydrophobicContact CD1-CD2 4.49Å; L407-L411 HydrophobicContact CD1-CG 4.1Å; L407-L411 HydrophobicContact CG-CD1 3.99Å; L407-L411 HydrophobicContact CG-CG 4.36Å; L407-L411 WeakPolarHBondContact O-CG 3.46Å; L407-L411 PolarHBondContact O-N 3.05Å; L411-T413 VanDerWaalsContact C-N 3.32Å; L411-T413 PolarHBondContact O-N 3.29Å; L411-T414 WeakPolarHBondContact CA-OG1 3.44Å; L411-T414 CarbonylContact O-C 3.54Å; L411-T414 PolarHBondContact O-N 3.29Å; L411-T414 PolarHBondContact O-OG1 3.36Å; L411-R415 WeakPolarHBondContact O-CA 3.2Å; L411-R415 PolarHBondContact O-N 3.35Å; L411-Q416 HydrophobicContact CB-CB 4.5Å; L411-Q416 HydrophobicContact CD2-CB 3.84Å; L411-Q416 PolarHBondContact O-N 2.84Å; L411-H420 HydrophobicContact CD1-CB 4.09Å; L411-Y446 HydrophobicContact CD2-CD1 4.33Å |
| 412 | R | 87.9 | Confident | 87.3 | Confident | 94 Ų | 94 | 43 Ų | 43 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.2 | -33.3 | 173.1 | -75 | 176.3 | 172.3 | 168.6 | -4.6 | 112.7 | N73 E76 Q408 Y410 | N73-R412 PolarHBondContact OD1-NH2 3.23Å; E76-R412 IonicContact OE1-CZ 3.76Å; E76-R412 IonicContact OE1-NH1 2.69Å; E76-R412 PolarHBondContact OE1-NH1 3.43Å; E76-R412 IonicContact OE2-NH1 3.22Å; Q408-R412 VanDerWaalsContact NE2-NH2 3.19Å; Q408-R412 VanDerWaalsContact O-CB 3.32Å; Q408-R412 WeakPolarHBondContact O-CB 3.28Å; Q408-R412 WeakPolarHBondContact O-CG 3.38Å; Q408-R412 PolarHBondContact O-N 2.94Å; Y410-R412 PolarHBondContact O-N 3.15Å |
| 413 | T | 88 | Confident | 87.2 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 20% | 0.202 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74 | -36.8 | 177.7 | -54 | 0 | 0 | 0 | 0 | 111.1 | H352 R355 V356 K409 Y410 L411 R415 | H352-T413 PolarHBondContact CE1-O 2.61Å; R355-T413 HydrophobicContact CB-CG2 4.49Å; V356-T413 HydrophobicContact CG2-CG2 3.86Å; K409-T413 WeakPolarHBondContact O-CB 3.36Å; K409-T413 PolarHBondContact O-N 2.86Å; K409-T413 PolarHBondContact O-OG1 2.82Å; Y410-T413 CarbonylContact O-C 3.6Å; Y410-T413 WeakPolarHBondContact O-CA 3.34Å; Y410-T413 WeakPolarHBondContact O-CB 3.33Å; Y410-T413 PolarHBondContact O-N 3.1Å; L411-T413 VanDerWaalsContact C-N 3.32Å; L411-T413 PolarHBondContact O-N 3.29Å; T413-R415 VanDerWaalsContact C-N 3.34Å |
| 414 | T | 85.8 | Confident | 87 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -86.7 | 0.5 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | L296 V356 Y410 L411 Q416 | L296-T414 WeakPolarHBondContact CD2-O 3.43Å; V356-T414 HydrophobicContact CG1-CG2 4.1Å; V356-T414 HydrophobicContact CG2-CG2 4.46Å; Y410-T414 HydrophobicContact CD2-CG2 4.37Å; Y410-T414 HydrophobicContact CE1-CG2 4.11Å; Y410-T414 HydrophobicContact CE2-CG2 3.86Å; Y410-T414 PolarHBondContact O-N 3.16Å; Y410-T414 PolarHBondContact O-OG1 2.9Å; Y410-T414 VanDerWaalsContact O-OG1 3.08Å; L411-T414 WeakPolarHBondContact CA-OG1 3.44Å; L411-T414 CarbonylContact O-C 3.54Å; L411-T414 PolarHBondContact O-N 3.29Å; L411-T414 PolarHBondContact O-OG1 3.36Å; T414-Q416 VanDerWaalsContact C-N 3.31Å; T414-Q416 VanDerWaalsContact CB-OE1 3.26Å; T414-Q416 PolarHBondContact O-N 2.76Å; T414-Q416 PolarHBondContact OG1-OE1 3.15Å |
| 415 | R | 83 | Confident | 87 | Confident | 82 Ų | 82 | 45.4 Ų | 45.4 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 42.6 | -177.2 | -63.6 | -178.3 | 159.6 | -150.8 | -12.7 | 112.9 | N293 N295 L296 L411 T413 H418 | N293-R415 PolarHBondContact ND2-O 3.47Å; N295-R415 HydrophobicContact CB-CB 4.18Å; N295-R415 WeakPolarHBondContact O-CD 3.43Å; N295-R415 PolarHBondContact O-NH1 3.16Å; L296-R415 HydrophobicContact CD2-CB 4.37Å; L411-R415 WeakPolarHBondContact O-CA 3.2Å; L411-R415 PolarHBondContact O-N 3.35Å; T413-R415 VanDerWaalsContact C-N 3.34Å; R415-H418 PolarHBondContact O-CE1 3.31Å; R415-H418 VanDerWaalsContact O-CE1 3.28Å |
| 416 | Q | 81.8 | Confident | 87 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | trans | -108.3 | 2.3 | -178.5 | -73.4 | 170.8 | -47 | 0 | 0 | 113.5 | L411 T414 H418 Y419 H420 | L411-Q416 HydrophobicContact CB-CB 4.5Å; L411-Q416 HydrophobicContact CD2-CB 3.84Å; L411-Q416 PolarHBondContact O-N 2.84Å; T414-Q416 VanDerWaalsContact C-N 3.31Å; T414-Q416 VanDerWaalsContact CB-OE1 3.26Å; T414-Q416 PolarHBondContact O-N 2.76Å; T414-Q416 PolarHBondContact OG1-OE1 3.15Å; Q416-H418 VanDerWaalsContact C-N 3.29Å; Q416-H418 PolarHBondContact O-N 2.85Å; Q416-Y419 HydrophobicContact CB-CD2 4.23Å; Q416-Y419 HydrophobicContact CG-CD2 4.39Å; Q416-Y419 PolarHBondContact O-N 3.26Å; Q416-Y419 VanDerWaalsContact O-N 3.07Å; Q416-H420 PolarHBondContact O-CD2 3.3Å | ||
| 417 | Q | 82.1 | Confident | 87 | Confident | 81 Ų | 81 | 43 Ų | 43 | 38% | 0.379 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -57.4 | -37.9 | -171.5 | 65.9 | -74.6 | -11 | 0 | 0 | 113.7 | Y419 H420 | Q417-Y419 PolarHBondContact O-N 2.86Å; Q417-H420 PolarHBondContact O-N 3.03Å |
| 418 | H | 78.9 | Confident | 86.9 | Confident | 74 Ų | 74 | 44.1 Ų | 44.1 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -70.5 | -7.8 | -179.5 | 62.5 | -73.3 | 0 | 0 | 0 | 114.3 | R415 Q416 | R415-H418 PolarHBondContact O-CE1 3.31Å; R415-H418 VanDerWaalsContact O-CE1 3.28Å; Q416-H418 VanDerWaalsContact C-N 3.29Å; Q416-H418 PolarHBondContact O-N 2.85Å |
| 419 | Y | 76.4 | Confident | 87 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -94.1 | -9.7 | 174.9 | -61.9 | -58.9 | 0 | 0 | 0 | 113.6 | I291 Y292 N293 Q416 Q417 Y455 | I291-Y419 HydrophobicContact CD1-CD1 3.92Å; I291-Y419 HydrophobicContact CD1-CE1 3.38Å; I291-Y419 HydrophobicContact CG1-CE1 4.01Å; I291-Y419 HydrophobicContact CG2-CE2 4.29Å; Y292-Y419 PolarHBondContact O-OH 2.97Å; N293-Y419 HydrophobicContact CB-CE2 4.48Å; Q416-Y419 HydrophobicContact CB-CD2 4.23Å; Q416-Y419 HydrophobicContact CG-CD2 4.39Å; Q416-Y419 PolarHBondContact O-N 3.26Å; Q416-Y419 VanDerWaalsContact O-N 3.07Å; Q417-Y419 PolarHBondContact O-N 2.86Å; Y419-Y455 HydrophobicContact CD1-CD1 4.05Å; Y419-Y455 HydrophobicContact CD1-CG 4.39Å; Y419-Y455 HydrophobicContact CG-CD1 4.11Å; Y419-Y455 HydrophobicContact CG-CE1 4.29Å |
| 420 | H | 83.8 | Confident | 87 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | trans | -140.4 | 91.3 | -169.2 | -54.7 | -73.1 | 0 | 0 | 0 | 112.1 | L411 Q416 Q417 I425 Y446 Y455 | L411-H420 HydrophobicContact CD1-CB 4.09Å; Q416-H420 PolarHBondContact O-CD2 3.3Å; Q417-H420 PolarHBondContact O-N 3.03Å; H420-I425 HydrophobicContact CB-CD1 4.05Å; H420-I425 HydrophobicContact CB-CG1 4.13Å; H420-Y446 HydrophobicContact CB-CE1 4.42Å; H420-Y446 AromaticContact CE1-CD1 3.6Å; H420-Y446 AromaticContact CE1-CE1 3.83Å; H420-Y446 AromaticContact CG-CE1 3.93Å; H420-Y446 AromaticContact ND1-CD1 3.74Å; H420-Y446 AromaticContact ND1-CE1 3.54Å; H420-Y446 AromaticContact NE2-CD1 3.8Å; H420-Y455 AromaticContact CE1-CE1 3.64Å | ||
| 421 | S | 86.4 | Confident | 87 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | trans | -68.4 | 156.2 | 168.3 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | E423 S424 I425 | S421-E423 VanDerWaalsContact C-N 3.3Å; S421-E423 PolarHBondContact O-N 3.36Å; S421-S424 PolarHBondContact O-N 3.07Å; S421-S424 VanDerWaalsContact O-N 3.14Å; S421-S424 WeakPolarHBondContact OG-CB 3.29Å; S421-S424 PolarHBondContact OG-N 2.82Å; S421-I425 WeakPolarHBondContact O-CG1 3.35Å; S421-I425 PolarHBondContact O-N 2.98Å | ||
| 422 | M | 87.4 | Confident | 87.2 | Confident | 55 Ų | 55 | 45.1 Ų | 45.1 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.6 | -43.5 | 176.1 | 176.4 | 167.3 | 163.8 | 0 | 0 | 112.1 | W74 F400 S424 I425 L426 | W74-M422 HydrophobicContact CB-SD 3.84Å; W74-M422 HydrophobicContact CD2-CB 4.17Å; W74-M422 HydrophobicContact CD2-SD 3.54Å; W74-M422 VanDerWaalsContact CD2-SD 3.54Å; W74-M422 HydrophobicContact CE3-SD 3.38Å; W74-M422 HydrophobicContact CG-CB 4.18Å; W74-M422 HydrophobicContact CG-SD 3.75Å; W74-M422 HydrophobicContact CZ3-SD 4.14Å; F400-M422 HydrophobicContact CD1-CE 4.03Å; F400-M422 HydrophobicContact CE1-CE 3.84Å; F400-M422 HydrophobicContact CE1-CG 3.87Å; F400-M422 HydrophobicContact CE1-SD 3.83Å; F400-M422 HydrophobicContact CZ-CG 4.18Å; M422-S424 PolarHBondContact O-N 3.13Å; M422-I425 PolarHBondContact O-N 3.4Å; M422-I425 VanDerWaalsContact O-N 3.15Å; M422-L426 HydrophobicContact CE-CD1 3.83Å; M422-L426 HydrophobicContact CG-CD1 4.07Å; M422-L426 HydrophobicContact CG-CG 4.41Å; M422-L426 WeakPolarHBondContact O-CG 3.4Å; M422-L426 PolarHBondContact O-N 2.93Å |
| 423 | E | 87.6 | Confident | 87.3 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 45% | 0.453 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.2 | -177.3 | 61.2 | -166.1 | 0 | 0 | 111.9 | R393 S421 I425 L426 Q427 | R393-E423 IonicContact NH1-OE1 2.61Å; R393-E423 PolarHBondContact NH1-OE1 2.88Å; S421-E423 VanDerWaalsContact C-N 3.3Å; S421-E423 PolarHBondContact O-N 3.36Å; E423-I425 VanDerWaalsContact C-N 3.26Å; E423-I425 PolarHBondContact O-N 3.45Å; E423-L426 PolarHBondContact O-N 3.18Å; E423-Q427 VanDerWaalsContact O-CB 3.28Å; E423-Q427 WeakPolarHBondContact O-CB 3.41Å; E423-Q427 PolarHBondContact O-N 3.23Å |
| 424 | S | 87.6 | Confident | 87.4 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -30.8 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | S421 M422 H428 R445 | S421-S424 PolarHBondContact O-N 3.07Å; S421-S424 VanDerWaalsContact O-N 3.14Å; S421-S424 WeakPolarHBondContact OG-CB 3.29Å; S421-S424 PolarHBondContact OG-N 2.82Å; M422-S424 PolarHBondContact O-N 3.13Å; S424-H428 WeakPolarHBondContact O-CB 3.42Å; S424-H428 PolarHBondContact O-N 3.42Å; S424-H428 VanDerWaalsContact O-N 3.16Å; S424-R445 PolarHBondContact OG-NH2 3.39Å |
| 425 | I | 90.7 | Very high | 87.7 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.7 | -45.4 | 176.9 | -65.1 | 160.7 | 0 | 0 | 0 | 110.2 | F400 L407 H420 S421 M422 E423 H428 L429 F442 Y446 | F400-I425 HydrophobicContact CD2-CG2 4.13Å; F400-I425 HydrophobicContact CE2-CB 4.42Å; F400-I425 HydrophobicContact CE2-CG2 3.62Å; L407-I425 HydrophobicContact CD2-CD1 3.98Å; L407-I425 HydrophobicContact CD2-CG1 4.39Å; L407-I425 HydrophobicContact CD2-CG2 3.78Å; H420-I425 HydrophobicContact CB-CD1 4.05Å; H420-I425 HydrophobicContact CB-CG1 4.13Å; S421-I425 WeakPolarHBondContact O-CG1 3.35Å; S421-I425 PolarHBondContact O-N 2.98Å; M422-I425 PolarHBondContact O-N 3.4Å; M422-I425 VanDerWaalsContact O-N 3.15Å; E423-I425 VanDerWaalsContact C-N 3.26Å; E423-I425 PolarHBondContact O-N 3.45Å; I425-H428 PolarHBondContact O-N 3.04Å; I425-L429 WeakPolarHBondContact O-CB 3.35Å; I425-L429 PolarHBondContact O-N 3.35Å; I425-F442 HydrophobicContact CG2-CZ 4.14Å; I425-Y446 HydrophobicContact CG1-CE1 3.97Å |
| 426 | L | 91.6 | Very high | 88 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176 | -73 | 174.5 | 0 | 0 | 0 | 111.9 | Q397 F400 M422 E423 H428 L429 A430 | Q397-L426 HydrophobicContact CG-CD1 4.19Å; Q397-L426 HydrophobicContact CG-CD2 4.19Å; F400-L426 HydrophobicContact CB-CD2 3.64Å; F400-L426 HydrophobicContact CD1-CD2 4.1Å; F400-L426 HydrophobicContact CD2-CD2 4.28Å; F400-L426 HydrophobicContact CG-CD2 3.75Å; M422-L426 HydrophobicContact CE-CD1 3.83Å; M422-L426 HydrophobicContact CG-CD1 4.07Å; M422-L426 HydrophobicContact CG-CG 4.41Å; M422-L426 WeakPolarHBondContact O-CG 3.4Å; M422-L426 PolarHBondContact O-N 2.93Å; E423-L426 PolarHBondContact O-N 3.18Å; L426-H428 VanDerWaalsContact C-N 3.35Å; L426-H428 PolarHBondContact O-N 3.46Å; L426-L429 PolarHBondContact O-N 3.2Å; L426-A430 WeakPolarHBondContact O-CB 3.39Å; L426-A430 PolarHBondContact O-N 2.93Å |
| 427 | Q | 91.4 | Very high | 88.4 | Confident | 111 Ų | 111 | 50.6 Ų | 50.6 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.3 | -172.2 | -178.8 | 13 | 0 | 0 | 111.8 | E423 F431 | E423-Q427 VanDerWaalsContact O-CB 3.28Å; E423-Q427 WeakPolarHBondContact O-CB 3.41Å; E423-Q427 PolarHBondContact O-N 3.23Å; Q427-F431 WeakPolarHBondContact O-CB 3.48Å; Q427-F431 PolarHBondContact O-N 2.98Å |
| 428 | H | 91.1 | Very high | 89 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 175 | -169.8 | 67.7 | 0 | 0 | 0 | 112 | S424 I425 L426 F431 C432 F442 R445 | S424-H428 WeakPolarHBondContact O-CB 3.42Å; S424-H428 PolarHBondContact O-N 3.42Å; S424-H428 VanDerWaalsContact O-N 3.16Å; I425-H428 PolarHBondContact O-N 3.04Å; L426-H428 VanDerWaalsContact C-N 3.35Å; L426-H428 PolarHBondContact O-N 3.46Å; H428-F431 PolarHBondContact O-N 3.47Å; H428-C432 PolarHBondContact O-N 3.04Å; H428-C432 PolarHBondContact O-SG 3.14Å; H428-F442 AromaticContact CD2-CD2 3.48Å; H428-F442 VanDerWaalsContact CD2-CD2 3.48Å; H428-F442 WeakPolarHBondContact CD2-CD2 3.25Å; H428-F442 AromaticContact CD2-CE2 3.75Å; H428-F442 PolarHBondContact NE2-O 3.46Å; H428-R445 WeakPolarHBondContact ND1-CD 3.38Å; H428-R445 PolarHBondContact ND1-NH1 3.42Å; H428-R445 VanDerWaalsContact ND1-NH1 3.16Å |
| 429 | L | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 178 | -174.1 | 56.4 | 0 | 0 | 0 | 111.6 | F371 A396 I399 F400 M403 I425 L426 F431 C432 I433 F442 | F371-L429 HydrophobicContact CE2-CD1 3.68Å; F371-L429 HydrophobicContact CZ-CD1 3.8Å; A396-L429 HydrophobicContact CB-CB 4Å; A396-L429 HydrophobicContact CB-CD2 3.94Å; A396-L429 HydrophobicContact CB-CG 3.78Å; I399-L429 HydrophobicContact CD1-CD1 4.05Å; I399-L429 HydrophobicContact CD1-CD2 3.95Å; I399-L429 HydrophobicContact CD1-CG 4.32Å; I399-L429 HydrophobicContact CG1-CD2 3.94Å; F400-L429 HydrophobicContact CB-CD2 4.33Å; M403-L429 HydrophobicContact CE-CD1 4.35Å; M403-L429 HydrophobicContact CE-CD2 4.35Å; M403-L429 HydrophobicContact SD-CD2 4.28Å; I425-L429 WeakPolarHBondContact O-CB 3.35Å; I425-L429 PolarHBondContact O-N 3.35Å; L426-L429 PolarHBondContact O-N 3.2Å; L429-F431 VanDerWaalsContact C-N 3.34Å; L429-F431 PolarHBondContact O-N 3.42Å; L429-C432 WeakPolarHBondContact O-CB 3.44Å; L429-C432 PolarHBondContact O-N 3.44Å; L429-C432 VanDerWaalsContact O-N 3.14Å; L429-I433 HydrophobicContact CG-CD1 4.25Å; L429-I433 WeakPolarHBondContact O-CG1 3.42Å; L429-I433 PolarHBondContact O-N 3.23Å; L429-F442 HydrophobicContact CB-CD2 4.24Å; L429-F442 HydrophobicContact CB-CE2 3.69Å; L429-F442 HydrophobicContact CB-CZ 4.47Å; L429-F442 HydrophobicContact CD1-CD2 3.78Å; L429-F442 HydrophobicContact CD1-CE2 3.74Å; L429-F442 HydrophobicContact CD1-CG 4.31Å; L429-F442 HydrophobicContact CD1-CZ 4.21Å; L429-F442 HydrophobicContact CG-CE2 4.24Å |
| 430 | A | 91.9 | Very high | 90.3 | Very high | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P392 R393 A396 L426 C432 I433 T434 | P392-A430 WeakPolarHBondContact O-CB 3.37Å; R393-A430 HydrophobicContact CG-CB 4.03Å; A396-A430 HydrophobicContact CB-CB 4.07Å; L426-A430 WeakPolarHBondContact O-CB 3.39Å; L426-A430 PolarHBondContact O-N 2.93Å; A430-C432 VanDerWaalsContact C-N 3.33Å; A430-C432 PolarHBondContact O-N 3.13Å; A430-I433 PolarHBondContact O-N 3.33Å; A430-I433 VanDerWaalsContact O-N 3.11Å; A430-T434 PolarHBondContact O-N 2.92Å; A430-T434 PolarHBondContact O-OG1 3.21Å |
| 431 | F | 92.1 | Very high | 90.7 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 174.8 | 177 | -97.7 | 0 | 0 | 0 | 112.9 | Q427 H428 L429 N435 M437 | Q427-F431 WeakPolarHBondContact O-CB 3.48Å; Q427-F431 PolarHBondContact O-N 2.98Å; H428-F431 PolarHBondContact O-N 3.47Å; L429-F431 VanDerWaalsContact C-N 3.34Å; L429-F431 PolarHBondContact O-N 3.42Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.46Å; F431-N435 VanDerWaalsContact CE2-ND2 3.33Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.27Å; F431-N435 PolarHBondContact O-N 2.84Å; F431-N435 PolarHBondContact O-ND2 3.3Å; F431-M437 HydrophobicContact CD1-CE 4.2Å; F431-M437 HydrophobicContact CD1-SD 4.5Å; F431-M437 HydrophobicContact CE1-CE 3.48Å; F431-M437 VanDerWaalsContact CE1-CE 3.48Å; F431-M437 HydrophobicContact CE1-SD 4.24Å; F431-M437 HydrophobicContact CZ-CE 4.04Å |
| 432 | C | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 173.7 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | F371 H428 L429 A430 S436 M437 F442 | F371-C432 HydrophobicContact CZ-CB 4.27Å; H428-C432 PolarHBondContact O-N 3.04Å; H428-C432 PolarHBondContact O-SG 3.14Å; L429-C432 WeakPolarHBondContact O-CB 3.44Å; L429-C432 PolarHBondContact O-N 3.44Å; L429-C432 VanDerWaalsContact O-N 3.14Å; A430-C432 VanDerWaalsContact C-N 3.33Å; A430-C432 PolarHBondContact O-N 3.13Å; C432-S436 PolarHBondContact O-N 2.95Å; C432-M437 HydrophobicContact CB-CB 4Å; C432-M437 HydrophobicContact CB-CG 4.49Å; C432-M437 HydrophobicContact CB-SD 4.45Å; C432-M437 WeakPolarHBondContact O-CB 3.32Å; C432-M437 PolarHBondContact O-N 3.42Å; C432-F442 HydrophobicContact CB-CB 4.39Å |
| 433 | I | 90.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -49.1 | 177.1 | -65.4 | 165.3 | 0 | 0 | 0 | 110.7 | I374 P392 A395 A396 L429 A430 N435 S436 | I374-I433 HydrophobicContact CD1-CD1 3.81Å; I374-I433 HydrophobicContact CD1-CG1 3.7Å; P392-I433 HydrophobicContact CB-CB 4.5Å; P392-I433 HydrophobicContact CB-CG2 4.24Å; A395-I433 HydrophobicContact CB-CD1 4Å; A395-I433 HydrophobicContact CB-CG2 4.42Å; A396-I433 HydrophobicContact CB-CD1 3.97Å; L429-I433 HydrophobicContact CG-CD1 4.25Å; L429-I433 WeakPolarHBondContact O-CG1 3.42Å; L429-I433 PolarHBondContact O-N 3.23Å; A430-I433 PolarHBondContact O-N 3.33Å; A430-I433 VanDerWaalsContact O-N 3.11Å; I433-N435 PolarHBondContact O-N 3.45Å; I433-S436 PolarHBondContact O-N 2.93Å; I433-S436 VanDerWaalsContact O-N 3.07Å |
| 434 | T | 90.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 49.7 Ų | 49.7 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.7 | -33.7 | 178.9 | -53 | 0 | 0 | 0 | 0 | 112.8 | P392 A430 | P392-T434 VanDerWaalsContact CB-OG1 3.28Å; P392-T434 WeakPolarHBondContact CB-OG1 3.32Å; P392-T434 WeakPolarHBondContact CG-OG1 3.26Å; A430-T434 PolarHBondContact O-N 2.92Å; A430-T434 PolarHBondContact O-OG1 3.21Å |
| 435 | N | 91.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 51 Ų | 51 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 13.8 | -178.5 | -66.8 | -84 | 0 | 0 | 0 | 113.4 | F431 I433 M437 | F431-N435 WeakPolarHBondContact CD2-ND2 3.46Å; F431-N435 VanDerWaalsContact CE2-ND2 3.33Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.27Å; F431-N435 PolarHBondContact O-N 2.84Å; F431-N435 PolarHBondContact O-ND2 3.3Å; I433-N435 PolarHBondContact O-N 3.45Å; N435-M437 HydrophobicContact CB-CE 3.7Å; N435-M437 HydrophobicContact CB-CG 3.87Å; N435-M437 HydrophobicContact CB-SD 4.5Å; N435-M437 PolarHBondContact O-N 3.39Å; N435-M437 VanDerWaalsContact O-N 3.12Å |
| 436 | S | 88.6 | Confident | 91.1 | Very high | 108 Ų | 108 | 50.6 Ų | 50.6 | 76% | 0.755 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 37 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 114 | C432 I433 | C432-S436 PolarHBondContact O-N 2.95Å; I433-S436 PolarHBondContact O-N 2.93Å; I433-S436 VanDerWaalsContact O-N 3.07Å |
| 437 | M | 91.6 | Very high | 90.9 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | trans | -74.2 | 152.5 | -175.9 | -62.8 | -166.2 | 176.2 | 0 | 0 | 112.2 | F371 F431 C432 N435 A441 | F371-M437 WeakPolarHBondContact CE1-O 3.27Å; F431-M437 HydrophobicContact CD1-CE 4.2Å; F431-M437 HydrophobicContact CD1-SD 4.5Å; F431-M437 HydrophobicContact CE1-CE 3.48Å; F431-M437 VanDerWaalsContact CE1-CE 3.48Å; F431-M437 HydrophobicContact CE1-SD 4.24Å; F431-M437 HydrophobicContact CZ-CE 4.04Å; C432-M437 HydrophobicContact CB-CB 4Å; C432-M437 HydrophobicContact CB-CG 4.49Å; C432-M437 HydrophobicContact CB-SD 4.45Å; C432-M437 WeakPolarHBondContact O-CB 3.32Å; C432-M437 PolarHBondContact O-N 3.42Å; N435-M437 HydrophobicContact CB-CE 3.7Å; N435-M437 HydrophobicContact CB-CG 3.87Å; N435-M437 HydrophobicContact CB-SD 4.5Å; N435-M437 PolarHBondContact O-N 3.39Å; N435-M437 VanDerWaalsContact O-N 3.12Å; M437-A441 HydrophobicContact CB-CB 4.12Å; M437-A441 HydrophobicContact SD-CB 4.47Å | ||
| 438 | T | 93.1 | Very high | 90.3 | Very high | 84 Ų | 84 | 48.8 Ų | 48.8 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | trans | -74.9 | 158.2 | 178 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | K440 A441 F442 | T438-K440 PolarHBondContact O-N 2.82Å; T438-K440 VanDerWaalsContact O-N 3.08Å; T438-A441 WeakPolarHBondContact O-CB 3.22Å; T438-A441 PolarHBondContact O-N 3.22Å; T438-A441 PolarHBondContact OG1-N 2.87Å; T438-F442 PolarHBondContact O-N 3.11Å | ||
| 439 | P | 92.4 | Very high | 89.2 | Confident | 25 Ų | 25 | 49 Ų | 49 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -50 | -36.6 | 172.4 | -28.2 | 34.2 | 0 | 0 | 0 | 113.3 | V367 E368 F371 F442 L443 | V367-P439 HydrophobicContact CG1-CB 4.07Å; E368-P439 HydrophobicContact CG-CB 3.85Å; E368-P439 HydrophobicContact CG-CG 4.18Å; F371-P439 HydrophobicContact CB-CG 3.67Å; F371-P439 HydrophobicContact CD1-CG 4.13Å; F371-P439 HydrophobicContact CD2-CB 4.46Å; F371-P439 HydrophobicContact CD2-CG 4.4Å; F371-P439 HydrophobicContact CG-CB 4.35Å; F371-P439 HydrophobicContact CG-CG 3.82Å; P439-F442 PolarHBondContact O-N 2.97Å; P439-L443 WeakPolarHBondContact O-CB 3.44Å; P439-L443 VanDerWaalsContact O-CG 3.25Å; P439-L443 WeakPolarHBondContact O-CG 3.48Å; P439-L443 PolarHBondContact O-N 3.15Å |
| 440 | K | 91.6 | Very high | 88 | Confident | 146 Ų | 146 | 49.3 Ų | 49.3 | 64% | 0.635 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.5 | -32.7 | -179.6 | -66.4 | 176.8 | -179 | 171 | 0 | 112.6 | T438 L443 E444 | T438-K440 PolarHBondContact O-N 2.82Å; T438-K440 VanDerWaalsContact O-N 3.08Å; K440-L443 PolarHBondContact O-N 2.9Å; K440-E444 PolarHBondContact O-N 3.3Å |
| 441 | A | 90.7 | Very high | 87.1 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.4 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M437 T438 L443 E444 | M437-A441 HydrophobicContact CB-CB 4.12Å; M437-A441 HydrophobicContact SD-CB 4.47Å; T438-A441 WeakPolarHBondContact O-CB 3.22Å; T438-A441 PolarHBondContact O-N 3.22Å; T438-A441 PolarHBondContact OG1-N 2.87Å; A441-L443 VanDerWaalsContact C-N 3.33Å; A441-E444 PolarHBondContact O-N 3.01Å |
| 442 | F | 92.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 169.1 | 171.8 | -98.4 | 0 | 0 | 0 | 111.4 | V367 F371 M403 I425 H428 L429 C432 T438 P439 E444 Y446 | V367-F442 HydrophobicContact CG1-CD1 3.74Å; V367-F442 HydrophobicContact CG1-CE1 4.3Å; V367-F442 HydrophobicContact CG2-CD1 4.34Å; V367-F442 HydrophobicContact CG2-CE1 4.17Å; F371-F442 HydrophobicContact CE2-CB 4.13Å; F371-F442 HydrophobicContact CE2-CD1 4.41Å; F371-F442 HydrophobicContact CE2-CG 4.23Å; F371-F442 HydrophobicContact CZ-CB 3.79Å; F371-F442 HydrophobicContact CZ-CG 4.21Å; M403-F442 HydrophobicContact SD-CE1 3.82Å; M403-F442 HydrophobicContact SD-CZ 4Å; I425-F442 HydrophobicContact CG2-CZ 4.14Å; H428-F442 AromaticContact CD2-CD2 3.48Å; H428-F442 VanDerWaalsContact CD2-CD2 3.48Å; H428-F442 WeakPolarHBondContact CD2-CD2 3.25Å; H428-F442 AromaticContact CD2-CE2 3.75Å; H428-F442 PolarHBondContact NE2-O 3.46Å; L429-F442 HydrophobicContact CB-CD2 4.24Å; L429-F442 HydrophobicContact CB-CE2 3.69Å; L429-F442 HydrophobicContact CB-CZ 4.47Å; L429-F442 HydrophobicContact CD1-CD2 3.78Å; L429-F442 HydrophobicContact CD1-CE2 3.74Å; L429-F442 HydrophobicContact CD1-CG 4.31Å; L429-F442 HydrophobicContact CD1-CZ 4.21Å; L429-F442 HydrophobicContact CG-CE2 4.24Å; C432-F442 HydrophobicContact CB-CB 4.39Å; T438-F442 PolarHBondContact O-N 3.11Å; P439-F442 PolarHBondContact O-N 2.97Å; F442-E444 VanDerWaalsContact C-N 3.33Å; F442-E444 PolarHBondContact O-N 3.17Å; F442-Y446 HydrophobicContact CD1-CE2 4.23Å; F442-Y446 HydrophobicContact CD2-CE2 4.31Å; F442-Y446 HydrophobicContact CE1-CD2 4.33Å; F442-Y446 AromaticContact CE1-CE2 3.77Å; F442-Y446 HydrophobicContact CE1-CE2 3.77Å; F442-Y446 AromaticContact CE2-CE2 3.83Å; F442-Y446 HydrophobicContact CE2-CE2 3.83Å; F442-Y446 HydrophobicContact CG-CE2 4.49Å; F442-Y446 AromaticContact CZ-CE2 3.55Å; F442-Y446 HydrophobicContact CZ-CE2 3.55Å; F442-Y446 WeakPolarHBondContact O-CD2 3.28Å; F442-Y446 WeakPolarHBondContact O-CE2 3.33Å |
| 443 | L | 92.5 | Very high | 84.6 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.6 | -22.6 | -178.5 | -74.8 | 170 | 0 | 0 | 0 | 114.9 | L363 V364 V367 P439 K440 A441 R445 Y446 L447 | L363-L443 HydrophobicContact CD1-CD2 4.05Å; L363-L443 HydrophobicContact CD2-CD2 3.97Å; L363-L443 HydrophobicContact CG-CD2 3.66Å; V364-L443 HydrophobicContact CB-CD1 4.38Å; V364-L443 HydrophobicContact CG2-CD1 4.05Å; V367-L443 HydrophobicContact CB-CD1 4.18Å; V367-L443 HydrophobicContact CB-CD2 4.3Å; V367-L443 HydrophobicContact CB-CG 4.29Å; V367-L443 HydrophobicContact CG1-CD1 4.32Å; V367-L443 HydrophobicContact CG1-CG 4.15Å; V367-L443 HydrophobicContact CG2-CD2 3.87Å; V367-L443 HydrophobicContact CG2-CG 4.37Å; P439-L443 WeakPolarHBondContact O-CB 3.44Å; P439-L443 VanDerWaalsContact O-CG 3.25Å; P439-L443 WeakPolarHBondContact O-CG 3.48Å; P439-L443 PolarHBondContact O-N 3.15Å; K440-L443 PolarHBondContact O-N 2.9Å; A441-L443 VanDerWaalsContact C-N 3.33Å; L443-R445 VanDerWaalsContact C-N 3.27Å; L443-R445 PolarHBondContact O-N 2.92Å; L443-Y446 PolarHBondContact O-N 3.2Å; L443-Y446 VanDerWaalsContact O-N 3.1Å; L443-L447 HydrophobicContact CB-CD1 3.85Å; L443-L447 HydrophobicContact CB-CG 4.14Å; L443-L447 HydrophobicContact CD1-CD1 4.36Å; L443-L447 HydrophobicContact CD2-CD1 4.41Å; L443-L447 HydrophobicContact CD2-CG 4.44Å; L443-L447 HydrophobicContact CG-CD1 4.45Å; L443-L447 WeakPolarHBondContact O-CB 3.21Å; L443-L447 WeakPolarHBondContact O-CG 3.44Å; L443-L447 PolarHBondContact O-N 3.49Å |
| 444 | E | 89.9 | Confident | 83.3 | Confident | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.2 | -44.9 | -178.7 | -175.5 | -80.7 | 158.9 | 0 | 0 | 111.6 | K440 A441 F442 Y446 S448 | K440-E444 PolarHBondContact O-N 3.3Å; A441-E444 PolarHBondContact O-N 3.01Å; F442-E444 VanDerWaalsContact C-N 3.33Å; F442-E444 PolarHBondContact O-N 3.17Å; E444-Y446 PolarHBondContact O-N 3.16Å; E444-Y446 VanDerWaalsContact O-N 3.15Å; E444-S448 WeakPolarHBondContact O-CB 3.38Å; E444-S448 PolarHBondContact O-N 3.39Å; E444-S448 PolarHBondContact O-OG 3.1Å |
| 445 | R | 86.3 | Confident | 82.1 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -21.5 | -179.3 | -172.1 | 170.5 | -177 | -177.3 | -3.4 | 114.9 | S424 H428 L443 Y455 | S424-R445 PolarHBondContact OG-NH2 3.39Å; H428-R445 WeakPolarHBondContact ND1-CD 3.38Å; H428-R445 PolarHBondContact ND1-NH1 3.42Å; H428-R445 VanDerWaalsContact ND1-NH1 3.16Å; L443-R445 VanDerWaalsContact C-N 3.27Å; L443-R445 PolarHBondContact O-N 2.92Å; R445-Y455 PolarHBondContact O-OH 2.95Å |
| 446 | Y | 87.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -109.7 | -38.3 | -177.2 | -49.4 | -74.6 | 0 | 0 | 0 | 112.3 | L407 Y410 L411 H420 I425 F442 L443 E444 | L407-Y446 HydrophobicContact CD1-CD1 4.16Å; L407-Y446 HydrophobicContact CD1-CD2 4.24Å; L407-Y446 HydrophobicContact CD1-CG 3.93Å; Y410-Y446 WeakPolarHBondContact CE1-O 3.49Å; L411-Y446 HydrophobicContact CD2-CD1 4.33Å; H420-Y446 HydrophobicContact CB-CE1 4.42Å; H420-Y446 AromaticContact CE1-CD1 3.6Å; H420-Y446 AromaticContact CE1-CE1 3.83Å; H420-Y446 AromaticContact CG-CE1 3.93Å; H420-Y446 AromaticContact ND1-CD1 3.74Å; H420-Y446 AromaticContact ND1-CE1 3.54Å; H420-Y446 AromaticContact NE2-CD1 3.8Å; I425-Y446 HydrophobicContact CG1-CE1 3.97Å; F442-Y446 HydrophobicContact CD1-CE2 4.23Å; F442-Y446 HydrophobicContact CD2-CE2 4.31Å; F442-Y446 HydrophobicContact CE1-CD2 4.33Å; F442-Y446 AromaticContact CE1-CE2 3.77Å; F442-Y446 HydrophobicContact CE1-CE2 3.77Å; F442-Y446 AromaticContact CE2-CE2 3.83Å; F442-Y446 HydrophobicContact CE2-CE2 3.83Å; F442-Y446 HydrophobicContact CG-CE2 4.49Å; F442-Y446 AromaticContact CZ-CE2 3.55Å; F442-Y446 HydrophobicContact CZ-CE2 3.55Å; F442-Y446 WeakPolarHBondContact O-CD2 3.28Å; F442-Y446 WeakPolarHBondContact O-CE2 3.33Å; L443-Y446 PolarHBondContact O-N 3.2Å; L443-Y446 VanDerWaalsContact O-N 3.1Å; E444-Y446 PolarHBondContact O-N 3.16Å; E444-Y446 VanDerWaalsContact O-N 3.15Å |
| 447 | L | 87.2 | Confident | 78.7 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -80 | -25.2 | -178 | -63.3 | -172.9 | 0 | 0 | 0 | 112.9 | R360 L363 V364 Y410 L443 | R360-L447 HydrophobicContact CG-CD1 4.31Å; R360-L447 HydrophobicContact CG-CD2 3.88Å; L363-L447 HydrophobicContact CD2-CD2 4.02Å; V364-L447 HydrophobicContact CG2-CD1 4.08Å; Y410-L447 HydrophobicContact CD1-CD2 4.27Å; Y410-L447 HydrophobicContact CE1-CD2 3.66Å; Y410-L447 HydrophobicContact CE2-CD2 4.1Å; L443-L447 HydrophobicContact CB-CD1 3.85Å; L443-L447 HydrophobicContact CB-CG 4.14Å; L443-L447 HydrophobicContact CD1-CD1 4.36Å; L443-L447 HydrophobicContact CD2-CD1 4.41Å; L443-L447 HydrophobicContact CD2-CG 4.44Å; L443-L447 HydrophobicContact CG-CD1 4.45Å; L443-L447 WeakPolarHBondContact O-CB 3.21Å; L443-L447 WeakPolarHBondContact O-CG 3.44Å; L443-L447 PolarHBondContact O-N 3.49Å |
| 448 | S | 78.7 | Confident | 76.8 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -108.5 | 126.7 | 167.4 | -0.1 | 0 | 0 | 0 | 0 | 107.4 | E444 G450 | E444-S448 WeakPolarHBondContact O-CB 3.38Å; E444-S448 PolarHBondContact O-N 3.39Å; E444-S448 PolarHBondContact O-OG 3.1Å; S448-G450 PolarHBondContact O-N 3.48Å |
| 449 | A | 68.1 | Low | 75.1 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | trans | -69.3 | 91 | 164 | 0 | 0 | 0 | 0 | 0 | 107.4 | T290 I291 | T290-A449 WeakPolarHBondContact CB-O 3.4Å; T290-A449 HydrophobicContact CG2-CB 4.35Å; T290-A449 WeakPolarHBondContact CG2-O 3.46Å; I291-A449 HydrophobicContact CG2-CB 4.33Å | ||
| 450 | G | 68.7 | Low | 73 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | trans | -61.2 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S448 | S448-G450 PolarHBondContact O-N 3.48Š| ||
| 451 | P | 71.9 | Confident | 70.9 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -56.9 | 146.7 | -177 | 20.8 | -32 | 0 | 0 | 0 | 112.9 | Y286 K287 L453 Q454 | Y286-P451 WeakPolarHBondContact O-CB 3.43Å; K287-P451 VanDerWaalsContact O-CB 3.31Å; K287-P451 WeakPolarHBondContact O-CB 3.41Å; P451-L453 PolarHBondContact O-N 3.05Å; P451-Q454 HydrophobicContact CG-CG 4.15Å; P451-Q454 WeakPolarHBondContact O-CB 3.38Å; P451-Q454 PolarHBondContact O-N 2.93Å |
| 452 | T | 67.2 | Low | 69.2 | Low | 15 Ų | 15 | 61.8 Ų | 61.8 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -48.7 | -35.4 | -176.2 | -57.2 | 0 | 0 | 0 | 0 | 113 | Y286 Q454 Y455 | Y286-T452 HydrophobicContact CD1-CG2 3.85Å; Y286-T452 HydrophobicContact CE1-CG2 4.06Å; Y286-T452 PolarHBondContact O-N 3.48Å; T452-Q454 PolarHBondContact O-N 3.22Å; T452-Q454 VanDerWaalsContact O-N 3.1Å; T452-Y455 PolarHBondContact O-N 3.32Å |
| 453 | L | 65.3 | Low | 67.8 | Low | 102 Ų | 102 | 65.9 Ų | 65.9 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -54.7 | -22.7 | 175.6 | -73.5 | 161.7 | 0 | 0 | 0 | 115.7 | Y286 P451 Y455 | Y286-L453 WeakPolarHBondContact O-CD1 3.31Å; Y286-L453 WeakPolarHBondContact O-CG 3.48Å; Y286-L453 PolarHBondContact O-N 3.44Å; P451-L453 PolarHBondContact O-N 3.05Å; L453-Y455 PolarHBondContact O-N 3.31Å |
| 454 | Q | 63.3 | Low | 67 | Low | 71 Ų | 71 | 70.9 Ų | 70.9 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -73 | -10 | -176.8 | -70.1 | -177.4 | -10.1 | 0 | 0 | 114.4 | P451 T452 | P451-Q454 HydrophobicContact CG-CG 4.15Å; P451-Q454 WeakPolarHBondContact O-CB 3.38Å; P451-Q454 PolarHBondContact O-N 2.93Å; T452-Q454 PolarHBondContact O-N 3.22Å; T452-Q454 VanDerWaalsContact O-N 3.1Å |
| 455 | Y | 65 | Low | 66.8 | Low | 34 Ų | 34 | 68.7 Ų | 68.7 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -125.3 | 14 | -167.8 | -58.3 | -82.1 | 0 | 0 | 0 | 113.2 | I291 Y419 H420 R445 T452 L453 K457 | I291-Y455 HydrophobicContact CB-CD2 4.17Å; I291-Y455 HydrophobicContact CB-CE2 4.4Å; I291-Y455 HydrophobicContact CD1-CD1 4.49Å; I291-Y455 HydrophobicContact CD1-CD2 3.55Å; I291-Y455 HydrophobicContact CD1-CE2 4.44Å; I291-Y455 HydrophobicContact CD1-CG 3.59Å; I291-Y455 HydrophobicContact CG1-CD2 4.48Å; I291-Y455 HydrophobicContact CG2-CD2 4.23Å; I291-Y455 HydrophobicContact CG2-CE2 4.06Å; Y419-Y455 HydrophobicContact CD1-CD1 4.05Å; Y419-Y455 HydrophobicContact CD1-CG 4.39Å; Y419-Y455 HydrophobicContact CG-CD1 4.11Å; Y419-Y455 HydrophobicContact CG-CE1 4.29Å; H420-Y455 AromaticContact CE1-CE1 3.64Å; R445-Y455 PolarHBondContact O-OH 2.95Å; T452-Y455 PolarHBondContact O-N 3.32Å; L453-Y455 PolarHBondContact O-N 3.31Å; Y455-K457 PolarHBondContact O-N 3.08Å |
| 456 | D | 56.2 | Low | 67 | Low | 65 Ų | 65 | 74.7 Ų | 74.7 | 35% | 0.348 | 36% | 0.363 | S | S | . | . | trans | -101.9 | 46 | -151.7 | -158.7 | 22.9 | 0 | 0 | 0 | 114.8 | ||||
| 457 | K | 53.6 | Low | 67.2 | Low | 194 Ų | 194 | 76.9 Ų | 76.9 | 84% | 0.843 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -85.5 | -41.8 | 177.4 | -89 | -170.2 | 170.8 | -174.5 | 0 | 114.3 | Y455 | Y455-K457 PolarHBondContact O-N 3.08Š|
| 458 | D | 52.1 | Low | 67.4 | Low | 143 Ų | 143 | 78.9 Ų | 78.9 | 77% | 0.765 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -118.7 | -1 | -167.3 | -51.9 | -58.8 | 0 | 0 | 0 | 114.1 | W460 | D458-W460 VanDerWaalsContact C-N 3.33Å; D458-W460 PolarHBondContact O-N 3.4Å |
| 459 | R | 56.3 | Low | 68 | Low | 102 Ų | 102 | 77.8 Ų | 77.8 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -91.9 | 40.2 | -175.8 | -71.5 | -173.6 | 172.2 | -115.1 | -5.7 | 114.3 | L461 S462 | R459-L461 VanDerWaalsContact C-N 3.25Å; R459-L461 PolarHBondContact O-N 2.97Å; R459-L461 VanDerWaalsContact O-N 3.15Å; R459-S462 VanDerWaalsContact O-CB 3.31Å; R459-S462 WeakPolarHBondContact O-CB 3.4Å; R459-S462 PolarHBondContact O-N 2.86Å; R459-S462 PolarHBondContact O-OG 2.64Å | ||
| 460 | W | 49.6 | Very low | 69 | Low | 158 Ų | 158 | 84.2 Ų | 84.2 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -53.2 | -37.9 | -178 | 69 | -80.8 | 0 | 0 | 0 | 113.8 | I97 D458 S462 T463 | I97-W460 HydrophobicContact CG1-CH2 4.33Å; D458-W460 VanDerWaalsContact C-N 3.33Å; D458-W460 PolarHBondContact O-N 3.4Å; W460-S462 PolarHBondContact O-N 3.08Å; W460-T463 WeakPolarHBondContact O-CB 3.5Å; W460-T463 WeakPolarHBondContact O-CG2 3.33Å; W460-T463 PolarHBondContact O-N 3.45Å; W460-T463 VanDerWaalsContact O-N 3.09Å; W460-T463 PolarHBondContact O-OG1 3.13Å |
| 461 | L | 47.4 | Very low | 69.9 | Low | 75 Ų | 75 | 86.8 Ų | 86.8 | 39% | 0.393 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -61.3 | -21.2 | 175.1 | -75.1 | 161.9 | 0 | 0 | 0 | 114.3 | R459 T463 L488 | R459-L461 VanDerWaalsContact C-N 3.25Å; R459-L461 PolarHBondContact O-N 2.97Å; R459-L461 VanDerWaalsContact O-N 3.15Å; L461-T463 PolarHBondContact O-N 3.33Å; L461-L488 HydrophobicContact CB-CD1 3.96Å; L461-L488 HydrophobicContact CD2-CD1 4.48Å |
| 462 | S | 55.1 | Low | 70.6 | Confident | 28 Ų | 28 | 87.2 Ų | 87.2 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -75.8 | -7 | 176 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | Y286 R459 W460 W465 | Y286-S462 PolarHBondContact OH-O 3.12Å; R459-S462 VanDerWaalsContact O-CB 3.31Å; R459-S462 WeakPolarHBondContact O-CB 3.4Å; R459-S462 PolarHBondContact O-N 2.86Å; R459-S462 PolarHBondContact O-OG 2.64Å; W460-S462 PolarHBondContact O-N 3.08Å; S462-W465 PolarHBondContact O-NE1 3.07Å |
| 463 | T | 63 | Low | 71.4 | Confident | 87 Ų | 87 | 87.8 Ų | 87.8 | 53% | 0.534 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -84.4 | -14.2 | 178.4 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | W460 L461 W465 | W460-T463 WeakPolarHBondContact O-CB 3.5Å; W460-T463 WeakPolarHBondContact O-CG2 3.33Å; W460-T463 PolarHBondContact O-N 3.45Å; W460-T463 VanDerWaalsContact O-N 3.09Å; W460-T463 PolarHBondContact O-OG1 3.13Å; L461-T463 PolarHBondContact O-N 3.33Å; T463-W465 VanDerWaalsContact O-CD1 3.29Å; T463-W465 PolarHBondContact O-N 3.04Å |
| 464 | Q | 75.3 | Confident | 72.2 | Confident | 108 Ų | 108 | 85.3 Ų | 85.3 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | trans | -86.2 | 102.1 | -179.1 | -162.8 | -175.9 | 16.8 | 0 | 0 | 111 | ||||
| 465 | W | 86 | Confident | 73.2 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 16% | 0.159 | 42% | 0.416 | C | S | . | . | trans | -106.1 | 130.9 | 179.9 | -69.2 | 89 | 0 | 0 | 0 | 112.5 | L282 Y285 Y286 S462 T463 L485 C487 F490 L492 | L282-W465 HydrophobicContact CD1-CB 3.74Å; L282-W465 HydrophobicContact CD1-CD2 4.29Å; L282-W465 HydrophobicContact CD1-CG 3.68Å; L282-W465 HydrophobicContact CD2-CB 4.43Å; L282-W465 HydrophobicContact CD2-CD2 3.38Å; L282-W465 VanDerWaalsContact CD2-CE2 3.48Å; L282-W465 HydrophobicContact CD2-CE3 3.75Å; L282-W465 HydrophobicContact CD2-CG 3.7Å; L282-W465 HydrophobicContact CD2-CH2 4.16Å; L282-W465 HydrophobicContact CD2-CZ2 3.88Å; L282-W465 HydrophobicContact CD2-CZ3 4.11Å; L282-W465 HydrophobicContact CG-CD2 4.49Å; L282-W465 HydrophobicContact CG-CG 4.36Å; Y285-W465 HydrophobicContact CD1-CH2 4.44Å; Y285-W465 HydrophobicContact CD1-CZ2 4.05Å; Y285-W465 HydrophobicContact CE1-CH2 4.37Å; Y285-W465 HydrophobicContact CE1-CZ2 4.05Å; Y286-W465 AromaticContact CE2-NE1 3.87Å; Y286-W465 AromaticContact CZ-NE1 3.75Å; Y286-W465 PolarHBondContact OH-NE1 3.03Å; S462-W465 PolarHBondContact O-NE1 3.07Å; T463-W465 VanDerWaalsContact O-CD1 3.29Å; T463-W465 PolarHBondContact O-N 3.04Å; W465-L485 HydrophobicContact CE3-CB 3.78Å; W465-L485 HydrophobicContact CZ3-CB 4.04Å; W465-L485 WeakPolarHBondContact CZ3-O 3.26Å; W465-C487 HydrophobicContact CD2-CB 4.25Å; W465-C487 HydrophobicContact CE3-CB 3.91Å; W465-C487 HydrophobicContact CH2-CB 3.97Å; W465-C487 HydrophobicContact CZ2-CB 4.24Å; W465-C487 HydrophobicContact CZ3-CB 3.77Å; W465-F490 AromaticContact CH2-CE2 3.63Å; W465-F490 HydrophobicContact CH2-CE2 3.63Å; W465-F490 AromaticContact CH2-CZ 3.84Å; W465-F490 HydrophobicContact CH2-CZ 3.84Å; W465-F490 HydrophobicContact CZ2-CZ 4.3Å; W465-F490 HydrophobicContact CZ3-CE2 4.37Å; W465-L492 HydrophobicContact CH2-CD1 3.67Å; W465-L492 HydrophobicContact CH2-CG 3.82Å; W465-L492 HydrophobicContact CZ3-CD1 3.9Å; W465-L492 HydrophobicContact CZ3-CG 3.84Å | ||
| 466 | R | 89 | Confident | 74.2 | Confident | 179 Ų | 179 | 85.1 Ų | 85.1 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.3 | 172.5 | -170.4 | 179.9 | -60.3 | -178 | 1.8 | 110.5 | I468 K486 | R466-I468 HydrophobicContact CG-CG1 4.31Å; R466-K486 PolarHBondContact N-O 2.85Å; R466-K486 PolarHBondContact O-N 3.26Å |
| 467 | L | 91.6 | Very high | 75.8 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.6 | 169.7 | 174.1 | 59.4 | 0 | 0 | 0 | 110.3 | I274 Q275 A278 V473 F483 L485 | I274-L467 HydrophobicContact CG2-CD1 4.3Å; I274-L467 HydrophobicContact CG2-CD2 4.37Å; Q275-L467 HydrophobicContact CB-CD2 4.27Å; A278-L467 HydrophobicContact CB-CD1 4.1Å; A278-L467 HydrophobicContact CB-CD2 4.06Å; L467-V473 HydrophobicContact CD2-CB 3.89Å; L467-V473 HydrophobicContact CD2-CG1 3.62Å; L467-V473 HydrophobicContact CG-CG1 3.9Å; L467-F483 HydrophobicContact CD1-CB 4.21Å; L467-F483 HydrophobicContact CD1-CD2 3.53Å; L467-F483 HydrophobicContact CD1-CE2 4.25Å; L467-F483 HydrophobicContact CD1-CG 4.2Å; L467-L485 HydrophobicContact CB-CD2 4.12Å; L467-L485 HydrophobicContact CD1-CD2 4.07Å |
| 468 | I | 92.7 | Very high | 77.5 | Confident | 79 Ų | 79 | 79 Ų | 79 | 41% | 0.405 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129 | 175.9 | -55 | 173.7 | 0 | 0 | 0 | 107.2 | R466 V484 K486 | R466-I468 HydrophobicContact CG-CG1 4.31Å; I468-V484 HydrophobicContact CB-CB 4.4Å; I468-V484 PolarHBondContact N-O 3.19Å; I468-V484 PolarHBondContact O-N 3.26Å; I468-K486 HydrophobicContact CD1-CB 4.03Å; I468-K486 HydrophobicContact CD1-CD 4.17Å |
| 469 | S | 91.7 | Very high | 79.4 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 141.7 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | E471 | S469-E471 VanDerWaalsContact C-N 3.26Å; S469-E471 WeakPolarHBondContact CB-O 3.32Å; S469-E471 PolarHBondContact OG-N 3.32Å; S469-E471 PolarHBondContact OG-O 3.5Å |
| 470 | D | 88.7 | Confident | 81 | Confident | 166 Ų | 166 | 74.8 Ų | 74.8 | 89% | 0.888 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -71.8 | -26.3 | 175.4 | -57.3 | -31.2 | 0 | 0 | 0 | 111.4 | ||
| 471 | E | 87.8 | Confident | 83.1 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -90 | 155.4 | 171.6 | -61.1 | -157.2 | 154.6 | 0 | 0 | 112.1 | I274 S469 V473 R478 I481 | I274-E471 HydrophobicContact CD1-CB 3.94Å; S469-E471 VanDerWaalsContact C-N 3.26Å; S469-E471 WeakPolarHBondContact CB-O 3.32Å; S469-E471 PolarHBondContact OG-N 3.32Å; S469-E471 PolarHBondContact OG-O 3.5Å; E471-V473 PolarHBondContact O-N 2.89Å; E471-V473 VanDerWaalsContact O-N 3.12Å; E471-R478 IonicContact OE1-CZ 2.85Å; E471-R478 IonicContact OE1-NE 3.88Å; E471-R478 PolarHBondContact OE1-NE 3.34Å; E471-R478 IonicContact OE1-NH2 2.75Å; E471-R478 PolarHBondContact OE1-NH2 2.98Å; E471-R478 IonicContact OE2-CZ 3.18Å; E471-R478 IonicContact OE2-NE 3.46Å; E471-R478 PolarHBondContact OE2-NE 3.45Å; E471-R478 IonicContact OE2-NH2 3Å; E471-R478 PolarHBondContact OE2-NH2 2.69Å; E471-I481 WeakPolarHBondContact OE2-CD1 3.37Å |
| 472 | A | 85.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | trans | -58.5 | 119.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T474 N475 | A472-T474 PolarHBondContact O-N 2.9Å; A472-N475 WeakPolarHBondContact O-CB 3.42Å; A472-N475 VanDerWaalsContact O-CG 3.31Å; A472-N475 PolarHBondContact O-N 3.07Å | ||
| 473 | V | 84.8 | Confident | 87.2 | Confident | 27 Ų | 27 | 66 Ų | 66 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -16 | -174.2 | -60.6 | 0 | 0 | 0 | 0 | 115.5 | Q275 L467 E471 | Q275-V473 HydrophobicContact CB-CB 4.33Å; Q275-V473 WeakPolarHBondContact CB-O 3.43Å; Q275-V473 PolarHBondContact N-O 3.34Å; L467-V473 HydrophobicContact CD2-CB 3.89Å; L467-V473 HydrophobicContact CD2-CG1 3.62Å; L467-V473 HydrophobicContact CG-CG1 3.9Å; E471-V473 PolarHBondContact O-N 2.89Å; E471-V473 VanDerWaalsContact O-N 3.12Å |
| 474 | T | 82.2 | Confident | 88.8 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17.9 | 174.1 | 44.8 | 0 | 0 | 0 | 0 | 113.6 | A472 | A472-T474 PolarHBondContact O-N 2.9Š|
| 475 | N | 84.4 | Confident | 89.6 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -67 | 152.1 | 178.9 | -67.8 | -6.9 | 0 | 0 | 0 | 111.2 | S273 I274 A472 | S273-N475 CarbonylContact C-O 3.6Å; S273-N475 WeakPolarHBondContact CA-O 3.46Å; S273-N475 WeakPolarHBondContact CB-O 3.47Å; I274-N475 PolarHBondContact N-O 3.48Å; A472-N475 WeakPolarHBondContact O-CB 3.42Å; A472-N475 VanDerWaalsContact O-CG 3.31Å; A472-N475 PolarHBondContact O-N 3.07Å |
| 476 | G | 85.9 | Confident | 89.8 | Confident | 42 Ų | 42 | 62 Ų | 62 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 151 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L272 | L272-G476 CarbonylContact O-C 3.55Å; L272-G476 WeakPolarHBondContact O-CA 3.49Å |
| 477 | L | 88.8 | Confident | 89.6 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -54 | 139.5 | 168.7 | -67.5 | 178.6 | 0 | 0 | 0 | 111 | F252 L254 L272 I274 A277 F483 V496 | F252-L477 HydrophobicContact CB-CD1 4.4Å; F252-L477 HydrophobicContact CD2-CB 3.88Å; F252-L477 HydrophobicContact CD2-CD1 4.13Å; F252-L477 HydrophobicContact CE2-CB 3.88Å; F252-L477 HydrophobicContact CG-CB 4.21Å; F252-L477 HydrophobicContact CG-CD1 4.39Å; F252-L477 HydrophobicContact CZ-CB 4.21Å; F252-L477 WeakPolarHBondContact CZ-O 3.38Å; L254-L477 HydrophobicContact CD1-CD1 4.38Å; L254-L477 HydrophobicContact CD2-CD1 4.42Å; L272-L477 PolarHBondContact O-N 3.06Å; I274-L477 HydrophobicContact CG1-CD2 4.3Å; A277-L477 HydrophobicContact CB-CD1 3.87Å; A277-L477 HydrophobicContact CB-CD2 3.9Å; A277-L477 HydrophobicContact CB-CG 4.14Å; L477-F483 HydrophobicContact CD2-CE1 4.27Å; L477-V496 HydrophobicContact CB-CG1 4.36Å; L477-V496 HydrophobicContact CD2-CG1 4.31Å; L477-V496 HydrophobicContact CD2-CG2 3.95Å |
| 478 | R | 89.6 | Confident | 89 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | trans | -132.4 | 162.5 | 172.8 | -60 | -174.2 | -89.9 | -132 | 0.2 | 109.1 | E471 I481 V496 | E471-R478 IonicContact OE1-CZ 2.85Å; E471-R478 IonicContact OE1-NE 3.88Å; E471-R478 PolarHBondContact OE1-NE 3.34Å; E471-R478 IonicContact OE1-NH2 2.75Å; E471-R478 PolarHBondContact OE1-NH2 2.98Å; E471-R478 IonicContact OE2-CZ 3.18Å; E471-R478 IonicContact OE2-NE 3.46Å; E471-R478 PolarHBondContact OE2-NE 3.45Å; E471-R478 IonicContact OE2-NH2 3Å; E471-R478 PolarHBondContact OE2-NH2 2.69Å; R478-I481 HydrophobicContact CB-CD1 3.72Å; R478-I481 HydrophobicContact CB-CG1 3.97Å; R478-I481 HydrophobicContact CG-CD1 4.17Å; R478-I481 VanDerWaalsContact N-CD1 3.34Å; R478-V496 VanDerWaalsContact O-CG1 3.3Å; R478-V496 WeakPolarHBondContact O-CG1 3.38Å | ||
| 479 | D | 91.1 | Very high | 88.2 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 139.1 | 173.6 | -166.5 | 43.1 | 0 | 0 | 0 | 110.9 | I481 K497 K498 | D479-I481 VanDerWaalsContact C-N 3.27Å; D479-I481 PolarHBondContact O-N 3.02Å; D479-K497 WeakPolarHBondContact OD1-CA 3.48Å; D479-K498 HydrophobicContact CB-CB 3.95Å; D479-K498 PolarHBondContact OD1-N 3.24Å |
| 480 | G | 90.4 | Very high | 87.9 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 0.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | V482 V496 | G480-V482 PolarHBondContact O-N 3.15Å; G480-V496 WeakPolarHBondContact CA-O 3.21Å; G480-V496 PolarHBondContact N-O 3.43Å |
| 481 | I | 93.4 | Very high | 88 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | trans | -64.3 | 133.9 | 174 | -66.8 | -176 | 0 | 0 | 0 | 109.7 | I274 E471 R478 D479 F483 V496 | I274-I481 HydrophobicContact CD1-CD1 4.14Å; I274-I481 HydrophobicContact CD1-CG2 4.33Å; I274-I481 HydrophobicContact CG1-CD1 4.44Å; E471-I481 WeakPolarHBondContact OE2-CD1 3.37Å; R478-I481 HydrophobicContact CB-CD1 3.72Å; R478-I481 HydrophobicContact CB-CG1 3.97Å; R478-I481 HydrophobicContact CG-CD1 4.17Å; R478-I481 VanDerWaalsContact N-CD1 3.34Å; D479-I481 VanDerWaalsContact C-N 3.27Å; D479-I481 PolarHBondContact O-N 3.02Å; I481-F483 HydrophobicContact CG2-CD1 4.31Å; I481-V496 HydrophobicContact CB-CB 4.22Å; I481-V496 HydrophobicContact CB-CG2 4.16Å; I481-V496 HydrophobicContact CG2-CG2 4.38Å; I481-V496 WeakPolarHBondContact O-CB 3.24Å; I481-V496 WeakPolarHBondContact O-CG2 3.49Å; I481-V496 PolarHBondContact O-N 3.28Å | ||
| 482 | V | 94.4 | Very high | 88.3 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.3 | 164.9 | -177 | 0 | 0 | 0 | 0 | 108.8 | G480 V493 V494 N495 | G480-V482 PolarHBondContact O-N 3.15Å; V482-V493 HydrophobicContact CG1-CG1 3.94Å; V482-V494 VanDerWaalsContact CA-O 3.31Å; V482-V494 WeakPolarHBondContact CA-O 3.39Å; V482-N495 HydrophobicContact CG2-CB 4.49Å |
| 483 | F | 95.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 156.8 | 170 | 67.5 | -92.9 | 0 | 0 | 0 | 110.4 | L254 I274 A277 A278 L467 L477 I481 L485 V494 V496 | L254-F483 HydrophobicContact CD2-CE1 4Å; L254-F483 HydrophobicContact CD2-CZ 4.09Å; I274-F483 HydrophobicContact CG2-CB 4.02Å; I274-F483 HydrophobicContact CG2-CD1 3.82Å; I274-F483 HydrophobicContact CG2-CD2 4.29Å; I274-F483 HydrophobicContact CG2-CE1 4.3Å; I274-F483 HydrophobicContact CG2-CG 3.8Å; A277-F483 HydrophobicContact CB-CZ 4.34Å; A278-F483 HydrophobicContact CB-CE2 3.92Å; L467-F483 HydrophobicContact CD1-CB 4.21Å; L467-F483 HydrophobicContact CD1-CD2 3.53Å; L467-F483 HydrophobicContact CD1-CE2 4.25Å; L467-F483 HydrophobicContact CD1-CG 4.2Å; L477-F483 HydrophobicContact CD2-CE1 4.27Å; I481-F483 HydrophobicContact CG2-CD1 4.31Å; F483-L485 HydrophobicContact CE2-CD1 4.22Å; F483-L485 HydrophobicContact CE2-CG 4.36Å; F483-V494 HydrophobicContact CD1-CB 4.13Å; F483-V494 HydrophobicContact CD1-CG1 4.34Å; F483-V494 HydrophobicContact CD2-CB 4.02Å; F483-V494 HydrophobicContact CD2-CG2 4.08Å; F483-V494 HydrophobicContact CE1-CB 3.88Å; F483-V494 HydrophobicContact CE1-CG1 3.65Å; F483-V494 HydrophobicContact CE2-CB 3.75Å; F483-V494 HydrophobicContact CE2-CG1 4.09Å; F483-V494 HydrophobicContact CE2-CG2 3.64Å; F483-V494 HydrophobicContact CG-CB 4.21Å; F483-V494 HydrophobicContact CZ-CB 3.69Å; F483-V494 HydrophobicContact CZ-CG1 3.52Å; F483-V494 HydrophobicContact CZ-CG2 3.96Å; F483-V494 PolarHBondContact N-O 3.21Å; F483-V494 PolarHBondContact O-N 3.46Å; F483-V496 HydrophobicContact CD1-CG2 4.21Å; F483-V496 HydrophobicContact CE1-CG2 3.91Å |
| 484 | V | 95.2 | Very high | 89.3 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.9 | -173.4 | -177 | 0 | 0 | 0 | 0 | 109.7 | I468 L492 V493 | I468-V484 HydrophobicContact CB-CB 4.4Å; I468-V484 PolarHBondContact N-O 3.19Å; I468-V484 PolarHBondContact O-N 3.26Å; V484-L492 WeakPolarHBondContact CA-O 3.43Å; V484-V493 HydrophobicContact CG2-CG2 4.36Å |
| 485 | L | 93.2 | Very high | 89.9 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.5 | 169.3 | -69.1 | 161 | 0 | 0 | 0 | 107.6 | A278 V281 L282 W465 L467 F483 S491 L492 V494 | A278-L485 HydrophobicContact CB-CD1 4.25Å; A278-L485 HydrophobicContact CB-CD2 3.78Å; A278-L485 HydrophobicContact CB-CG 4.42Å; V281-L485 HydrophobicContact CB-CD1 4.14Å; V281-L485 HydrophobicContact CG1-CD1 3.72Å; L282-L485 HydrophobicContact CD1-CD2 4.39Å; L282-L485 HydrophobicContact CD2-CB 4.46Å; L282-L485 HydrophobicContact CD2-CD1 3.93Å; L282-L485 HydrophobicContact CG-CD1 4.04Å; W465-L485 HydrophobicContact CE3-CB 3.78Å; W465-L485 HydrophobicContact CZ3-CB 4.04Å; W465-L485 WeakPolarHBondContact CZ3-O 3.26Å; L467-L485 HydrophobicContact CB-CD2 4.12Å; L467-L485 HydrophobicContact CD1-CD2 4.07Å; F483-L485 HydrophobicContact CE2-CD1 4.22Å; F483-L485 HydrophobicContact CE2-CG 4.36Å; L485-S491 CarbonylContact O-C 3.55Å; L485-S491 WeakPolarHBondContact O-CA 3.4Å; L485-S491 WeakPolarHBondContact O-CB 3.48Å; L485-L492 HydrophobicContact CB-CB 4.25Å; L485-L492 PolarHBondContact N-O 3.43Å; L485-L492 PolarHBondContact O-N 2.85Å; L485-V494 HydrophobicContact CD1-CG2 4.38Å |
| 486 | K | 90.1 | Very high | 90.4 | Very high | 113 Ų | 113 | 44.5 Ų | 44.5 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122 | -177.6 | -176.2 | 168.5 | -178 | 176.6 | 0 | 110.5 | R466 I468 | R466-K486 PolarHBondContact N-O 2.85Å; R466-K486 PolarHBondContact O-N 3.26Å; I468-K486 HydrophobicContact CD1-CB 4.03Å; I468-K486 HydrophobicContact CD1-CD 4.17Å |
| 487 | C | 84.8 | Confident | 90.8 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | trans | -96.2 | -177.1 | 163.9 | -167.1 | 0 | 0 | 0 | 0 | 108.4 | W465 F490 | W465-C487 HydrophobicContact CD2-CB 4.25Å; W465-C487 HydrophobicContact CE3-CB 3.91Å; W465-C487 HydrophobicContact CH2-CB 3.97Å; W465-C487 HydrophobicContact CZ2-CB 4.24Å; W465-C487 HydrophobicContact CZ3-CB 3.77Å; C487-F490 CarbonylContact C-O 3.53Å; C487-F490 WeakPolarHBondContact CB-O 3.46Å; C487-F490 PolarHBondContact N-O 3.17Å | ||
| 488 | L | 77.9 | Confident | 90.9 | Very high | 115 Ų | 115 | 53.5 Ų | 53.5 | 60% | 0.602 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -63.7 | -51.6 | 177.5 | -68.7 | 168.6 | 0 | 0 | 0 | 111.9 | L461 | L461-L488 HydrophobicContact CB-CD1 3.96Å; L461-L488 HydrophobicContact CD2-CD1 4.48Å |
| 489 | D | 76 | Confident | 90.9 | Very high | 100 Ų | 100 | 50 Ų | 50 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -89.9 | -24.5 | -170 | -59.8 | -25.8 | 0 | 0 | 0 | 114.4 | Y292 | Y292-D489 HydrophobicContact CE1-CB 3.96Š|
| 490 | F | 85.6 | Confident | 90.8 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | trans | -156.2 | 176.7 | -173.6 | 67.4 | -86.7 | 0 | 0 | 0 | 111.8 | R258 T260 Y285 Y292 W465 C487 L492 | R258-F490 HydrophobicContact CG-CD2 3.74Å; R258-F490 HydrophobicContact CG-CE2 4.18Å; R258-F490 HydrophobicContact CG-CG 4.43Å; T260-F490 HydrophobicContact CG2-CB 3.51Å; Y285-F490 HydrophobicContact CE1-CZ 4.2Å; Y285-F490 HydrophobicContact CE2-CE2 4.27Å; Y285-F490 AromaticContact CZ-CE2 3.92Å; Y285-F490 AromaticContact CZ-CZ 3.75Å; Y285-F490 WeakPolarHBondContact OH-CZ 3.26Å; Y292-F490 AromaticContact CD1-CD1 3.57Å; Y292-F490 HydrophobicContact CD1-CD1 3.57Å; Y292-F490 AromaticContact CD1-CE1 3.88Å; Y292-F490 HydrophobicContact CD1-CE1 3.88Å; Y292-F490 HydrophobicContact CD1-CG 4.49Å; Y292-F490 AromaticContact CE1-CD1 3.91Å; Y292-F490 HydrophobicContact CE1-CD1 3.91Å; Y292-F490 AromaticContact CG-CD1 3.97Å; Y292-F490 HydrophobicContact CG-CD1 3.97Å; Y292-F490 HydrophobicContact CG-CE1 4.15Å; W465-F490 AromaticContact CH2-CE2 3.63Å; W465-F490 HydrophobicContact CH2-CE2 3.63Å; W465-F490 AromaticContact CH2-CZ 3.84Å; W465-F490 HydrophobicContact CH2-CZ 3.84Å; W465-F490 HydrophobicContact CZ2-CZ 4.3Å; W465-F490 HydrophobicContact CZ3-CE2 4.37Å; C487-F490 CarbonylContact C-O 3.53Å; C487-F490 WeakPolarHBondContact CB-O 3.46Å; C487-F490 PolarHBondContact N-O 3.17Å; F490-L492 HydrophobicContact CD2-CD2 4.39Å; F490-L492 HydrophobicContact CE2-CD2 3.99Å; F490-L492 HydrophobicContact CE2-CG 4.35Å | ||
| 491 | S | 91.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153 | 173.5 | 58 | 0 | 0 | 0 | 0 | 112.2 | S259 L485 | S259-S491 WeakPolarHBondContact CB-O 3.38Å; S259-S491 VanDerWaalsContact CB-OG 3.32Å; S259-S491 WeakPolarHBondContact CB-OG 3.37Å; S259-S491 PolarHBondContact N-O 3.33Å; S259-S491 PolarHBondContact OG-N 2.95Å; S259-S491 PolarHBondContact OG-O 3.3Å; S259-S491 PolarHBondContact OG-OG 3.49Å; L485-S491 CarbonylContact O-C 3.55Å; L485-S491 WeakPolarHBondContact O-CA 3.4Å; L485-S491 WeakPolarHBondContact O-CB 3.48Å |
| 492 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.2 | 165.9 | -54.1 | 174.4 | 0 | 0 | 0 | 107.7 | V256 V257 R258 V281 L282 Y285 W465 V484 L485 F490 | V256-L492 HydrophobicContact CG1-CB 4.04Å; V256-L492 HydrophobicContact CG1-CD1 4.37Å; V256-L492 HydrophobicContact CG1-CD2 4.46Å; V257-L492 CarbonylContact O-C 3.56Å; V257-L492 WeakPolarHBondContact O-CA 3.36Å; R258-L492 HydrophobicContact CB-CD2 3.88Å; R258-L492 HydrophobicContact CG-CD2 4.27Å; V281-L492 HydrophobicContact CG1-CD1 4.47Å; L282-L492 HydrophobicContact CD2-CD1 4.28Å; Y285-L492 HydrophobicContact CD1-CD1 4.42Å; Y285-L492 HydrophobicContact CD2-CD1 3.57Å; Y285-L492 HydrophobicContact CD2-CD2 3.72Å; Y285-L492 HydrophobicContact CD2-CG 4.26Å; Y285-L492 HydrophobicContact CE2-CD1 4.25Å; Y285-L492 HydrophobicContact CE2-CD2 3.72Å; Y285-L492 HydrophobicContact CG-CD1 3.69Å; W465-L492 HydrophobicContact CH2-CD1 3.67Å; W465-L492 HydrophobicContact CH2-CG 3.82Å; W465-L492 HydrophobicContact CZ3-CD1 3.9Å; W465-L492 HydrophobicContact CZ3-CG 3.84Å; V484-L492 WeakPolarHBondContact CA-O 3.43Å; L485-L492 HydrophobicContact CB-CB 4.25Å; L485-L492 PolarHBondContact N-O 3.43Å; L485-L492 PolarHBondContact O-N 2.85Å; F490-L492 HydrophobicContact CD2-CD2 4.39Å; F490-L492 HydrophobicContact CE2-CD2 3.99Å; F490-L492 HydrophobicContact CE2-CG 4.35Å |
| 493 | V | 95.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 64.6 Ų | 64.6 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.9 | 172.7 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | V257 V482 V484 | V257-V493 PolarHBondContact N-O 3Å; V257-V493 PolarHBondContact O-N 3.21Å; V482-V493 HydrophobicContact CG1-CG1 3.94Å; V484-V493 HydrophobicContact CG2-CG2 4.36Å |
| 494 | V | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.6 | -176.4 | -169.8 | 0 | 0 | 0 | 0 | 109.2 | L254 Q255 V256 V281 V482 F483 L485 | L254-V494 HydrophobicContact CB-CG1 3.9Å; L254-V494 HydrophobicContact CD2-CG1 3.65Å; L254-V494 HydrophobicContact CG-CG1 4.29Å; Q255-V494 WeakPolarHBondContact O-CA 3.36Å; V256-V494 HydrophobicContact CG1-CG2 4.35Å; V256-V494 HydrophobicContact CG2-CG1 4.03Å; V256-V494 HydrophobicContact CG2-CG2 4.16Å; V281-V494 HydrophobicContact CG1-CG2 4.09Å; V281-V494 HydrophobicContact CG2-CG1 4.4Å; V482-V494 VanDerWaalsContact CA-O 3.31Å; V482-V494 WeakPolarHBondContact CA-O 3.39Å; F483-V494 HydrophobicContact CD1-CB 4.13Å; F483-V494 HydrophobicContact CD1-CG1 4.34Å; F483-V494 HydrophobicContact CD2-CB 4.02Å; F483-V494 HydrophobicContact CD2-CG2 4.08Å; F483-V494 HydrophobicContact CE1-CB 3.88Å; F483-V494 HydrophobicContact CE1-CG1 3.65Å; F483-V494 HydrophobicContact CE2-CB 3.75Å; F483-V494 HydrophobicContact CE2-CG1 4.09Å; F483-V494 HydrophobicContact CE2-CG2 3.64Å; F483-V494 HydrophobicContact CG-CB 4.21Å; F483-V494 HydrophobicContact CZ-CB 3.69Å; F483-V494 HydrophobicContact CZ-CG1 3.52Å; F483-V494 HydrophobicContact CZ-CG2 3.96Å; F483-V494 PolarHBondContact N-O 3.21Å; F483-V494 PolarHBondContact O-N 3.46Å; L485-V494 HydrophobicContact CD1-CG2 4.38Å |
| 495 | N | 95.6 | Very high | 89.1 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.5 | 176.9 | -174.9 | -29.2 | 0 | 0 | 0 | 109.5 | L254 Q255 V482 | L254-N495 CarbonylContact C-O 3.48Å; L254-N495 WeakPolarHBondContact CA-O 3.36Å; Q255-N495 HydrophobicContact CB-CB 4.45Å; Q255-N495 PolarHBondContact N-O 3.02Å; Q255-N495 PolarHBondContact O-N 2.83Å; V482-N495 HydrophobicContact CG2-CB 4.49Å |
| 496 | V | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.7 | -175 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | F252 L254 L477 R478 G480 I481 F483 | F252-V496 HydrophobicContact CB-CG1 4.04Å; F252-V496 HydrophobicContact CD1-CG1 3.86Å; F252-V496 HydrophobicContact CG-CG1 4.14Å; L254-V496 HydrophobicContact CD2-CG2 3.99Å; L254-V496 HydrophobicContact CG-CG2 4.18Å; L477-V496 HydrophobicContact CB-CG1 4.36Å; L477-V496 HydrophobicContact CD2-CG1 4.31Å; L477-V496 HydrophobicContact CD2-CG2 3.95Å; R478-V496 VanDerWaalsContact O-CG1 3.3Å; R478-V496 WeakPolarHBondContact O-CG1 3.38Å; G480-V496 WeakPolarHBondContact CA-O 3.21Å; G480-V496 PolarHBondContact N-O 3.43Å; I481-V496 HydrophobicContact CB-CB 4.22Å; I481-V496 HydrophobicContact CB-CG2 4.16Å; I481-V496 HydrophobicContact CG2-CG2 4.38Å; I481-V496 WeakPolarHBondContact O-CB 3.24Å; I481-V496 WeakPolarHBondContact O-CG2 3.49Å; I481-V496 PolarHBondContact O-N 3.28Å; F483-V496 HydrophobicContact CD1-CG2 4.21Å; F483-V496 HydrophobicContact CE1-CG2 3.91Å |
| 497 | K | 93.6 | Very high | 88.9 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.5 | 171.6 | -66.2 | -172.7 | 177.2 | -178 | 0 | 110.8 | F252 T253 D479 | F252-K497 CarbonylContact C-O 3.57Å; F252-K497 VanDerWaalsContact CA-O 3.28Å; F252-K497 WeakPolarHBondContact CA-O 3.46Å; T253-K497 PolarHBondContact N-O 3.14Å; T253-K497 PolarHBondContact O-N 3.12Å; D479-K497 WeakPolarHBondContact OD1-CA 3.48Å |
| 498 | K | 92.3 | Very high | 89 | Confident | 120 Ų | 120 | 93.9 Ų | 93.9 | 52% | 0.522 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 136.5 | 172.1 | -172 | 179 | 177.3 | -174.4 | 0 | 109.9 | M251 F252 D479 | M251-K498 HydrophobicContact CG-CG 4.28Å; F252-K498 HydrophobicContact CD1-CB 4.26Å; F252-K498 HydrophobicContact CE1-CB 4.28Å; F252-K498 HydrophobicContact CE1-CG 4.4Å; D479-K498 HydrophobicContact CB-CB 3.95Å; D479-K498 PolarHBondContact OD1-N 3.24Å |
| 499 | I | 88.9 | Confident | 89.3 | Confident | 52 Ų | 52 | 93 Ų | 93 | 27% | 0.267 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 128.3 | 173.6 | -63.5 | 172.6 | 0 | 0 | 0 | 108 | P250 M251 T253 | P250-I499 HydrophobicContact CB-CD1 4.11Å; M251-I499 PolarHBondContact O-N 3.4Å; T253-I499 WeakPolarHBondContact OG1-CG1 3.44Å |
| 500 | P | 87.7 | Confident | 89.5 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 152.1 | 179.4 | 28.7 | -35.3 | 0 | 0 | 0 | 111.1 | I502 | P500-I502 PolarHBondContact O-N 3.1Š|
| 501 | F | 82.7 | Confident | 89.3 | Confident | 189 Ų | 189 | 95 Ų | 95 | 83% | 0.829 | 49% | 0.491 | S | S | * | . | trans | -73.5 | 114.6 | 170.5 | -177.4 | -111 | 0 | 0 | 0 | 109.2 | V503 | F501-V503 HydrophobicContact CD1-CG2 3.78Å; F501-V503 HydrophobicContact CE1-CG2 3.46Å; F501-V503 VanDerWaalsContact CE1-CG2 3.46Å; F501-V503 HydrophobicContact CZ-CG2 4.41Å | ||
| 502 | I | 85.5 | Confident | 88.5 | Confident | 136 Ų | 136 | 100.3 Ų | 100.3 | 70% | 0.697 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 117.3 | -178.9 | -57.6 | 174.7 | 0 | 0 | 0 | 108.3 | P500 | P500-I502 PolarHBondContact O-N 3.1Š|
| 503 | V | 86.5 | Confident | 87.4 | Confident | 113 Ų | 113 | 104 Ų | 104 | 69% | 0.685 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -95.9 | 117.1 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | F501 | F501-V503 HydrophobicContact CD1-CG2 3.78Å; F501-V503 HydrophobicContact CE1-CG2 3.46Å; F501-V503 VanDerWaalsContact CE1-CG2 3.46Å; F501-V503 HydrophobicContact CZ-CG2 4.41Å |
| 504 | L | 89.8 | Confident | 86.1 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 72% | 0.723 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -95 | 123.3 | 170.6 | -174.8 | 66.9 | 0 | 0 | 0 | 108.7 | ||
| 505 | S | 89.6 | Confident | 84.9 | Confident | 107 Ų | 107 | 114.8 Ų | 114.8 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 125.2 | 168.4 | 55 | 0 | 0 | 0 | 0 | 109.3 | ||
| 506 | E | 89.9 | Confident | 83.8 | Confident | 177 Ų | 177 | 121.5 Ų | 121.5 | 83% | 0.827 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 127.8 | 174.8 | -65.7 | 179.8 | -170.8 | 0 | 0 | 109.9 | ||
| 507 | E | 89.2 | Confident | 82.5 | Confident | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | trans | -117.1 | 119.3 | 173.4 | -173.7 | 176.3 | 178.9 | 0 | 0 | 109.1 | I509 | E507-I509 PolarHBondContact O-N 3.2Š| ||
| 508 | F | 86.2 | Confident | 81.1 | Confident | 180 Ų | 180 | 128.7 Ų | 128.7 | 79% | 0.789 | 66% | 0.656 | S | S | * | * | trans | -85.7 | 106.6 | 176.3 | 179.9 | -95.8 | 0 | 0 | 0 | 110.3 | D510 | F508-D510 HydrophobicContact CE1-CB 4.49Å; F508-D510 PolarHBondContact O-N 3.38Å | ||
| 509 | I | 84.3 | Confident | 79.7 | Confident | 98 Ų | 98 | 133.5 Ų | 133.5 | 50% | 0.503 | 67% | 0.671 | S | S | . | * | trans | -80.3 | 110.1 | 173.9 | -58.4 | 176.3 | 0 | 0 | 0 | 108.7 | E507 S513 | E507-I509 PolarHBondContact O-N 3.2Å; I509-S513 WeakPolarHBondContact CG2-OG 3.45Å | ||
| 510 | D | 81.3 | Confident | 78.7 | Confident | 68 Ų | 68 | 138 Ų | 138 | 36% | 0.364 | 69% | 0.694 | S | S | . | * | trans | -57.6 | 126.4 | 172.8 | 179.1 | -11.7 | 0 | 0 | 0 | 109.3 | F508 K512 S513 | F508-D510 HydrophobicContact CE1-CB 4.49Å; F508-D510 PolarHBondContact O-N 3.38Å; D510-K512 PolarHBondContact O-N 2.83Å; D510-K512 WeakPolarHBondContact OD1-CB 3.38Å; D510-K512 WeakPolarHBondContact OD1-CG 3.38Å; D510-K512 PolarHBondContact OD1-N 2.89Å; D510-S513 VanDerWaalsContact O-CB 3.24Å; D510-S513 WeakPolarHBondContact O-CB 3.22Å; D510-S513 PolarHBondContact O-N 2.92Å; D510-S513 PolarHBondContact O-OG 3.29Å | ||
| 511 | P | 80.2 | Confident | 77.5 | Confident | 93 Ų | 93 | 141 Ų | 141 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -57.7 | -16.6 | 176.7 | 22.4 | -34.4 | 0 | 0 | 0 | 114.4 | S513 | P511-S513 VanDerWaalsContact C-N 3.28Å; P511-S513 PolarHBondContact O-N 3.15Å |
| 512 | K | 74.8 | Confident | 76.5 | Confident | 137 Ų | 137 | 137.3 Ų | 137.3 | 60% | 0.596 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -70.1 | -20.9 | 170.7 | -63.9 | 171.9 | -169.9 | 160.1 | 0 | 113.5 | D510 H514 K515 | D510-K512 PolarHBondContact O-N 2.83Å; D510-K512 WeakPolarHBondContact OD1-CB 3.38Å; D510-K512 WeakPolarHBondContact OD1-CG 3.38Å; D510-K512 PolarHBondContact OD1-N 2.89Å; K512-H514 PolarHBondContact O-N 3.33Å; K512-K515 WeakPolarHBondContact O-CB 3.39Å; K512-K515 WeakPolarHBondContact O-CG 3.44Å; K512-K515 PolarHBondContact O-N 3.03Å |
| 513 | S | 71 | Confident | 75.3 | Confident | 78 Ų | 78 | 138.4 Ų | 138.4 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -66.8 | -22.8 | 178.6 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | I509 D510 P511 K515 | I509-S513 WeakPolarHBondContact CG2-OG 3.45Å; D510-S513 VanDerWaalsContact O-CB 3.24Å; D510-S513 WeakPolarHBondContact O-CB 3.22Å; D510-S513 PolarHBondContact O-N 2.92Å; D510-S513 PolarHBondContact O-OG 3.29Å; P511-S513 VanDerWaalsContact C-N 3.28Å; P511-S513 PolarHBondContact O-N 3.15Å; S513-K515 PolarHBondContact O-N 2.79Å |
| 514 | H | 67.3 | Low | 73.9 | Confident | 120 Ų | 120 | 139.3 Ų | 139.3 | 56% | 0.556 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -80.4 | 9.3 | 175 | -57.8 | -49.9 | 0 | 0 | 0 | 114.2 | K512 F516 | K512-H514 PolarHBondContact O-N 3.33Å; H514-F516 WeakPolarHBondContact O-CD2 3.35Å; H514-F516 PolarHBondContact O-N 3.2Å |
| 515 | K | 71.1 | Confident | 72.1 | Confident | 159 Ų | 159 | 138.1 Ų | 138.1 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | trans | -81.2 | 95.8 | 176.7 | -70.5 | -174.9 | 177.4 | -170.6 | 0 | 111.3 | K512 S513 V517 | K512-K515 WeakPolarHBondContact O-CB 3.39Å; K512-K515 WeakPolarHBondContact O-CG 3.44Å; K512-K515 PolarHBondContact O-N 3.03Å; S513-K515 PolarHBondContact O-N 2.79Å; K515-V517 PolarHBondContact O-N 3.22Å | ||
| 516 | F | 72.2 | Confident | 70 | Confident | 195 Ų | 195 | 143.4 Ų | 143.4 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | -65.8 | 117.8 | 171.4 | -59 | -81.2 | 0 | 0 | 0 | 111.2 | H514 L518 | H514-F516 WeakPolarHBondContact O-CD2 3.35Å; H514-F516 PolarHBondContact O-N 3.2Å; F516-L518 PolarHBondContact O-N 3.36Å | ||
| 517 | V | 68.5 | Low | 69 | Low | 126 Ų | 126 | 141.8 Ų | 141.8 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -81.1 | 105.4 | 170.7 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | K515 R519 | K515-V517 PolarHBondContact O-N 3.22Å; V517-R519 HydrophobicContact CG1-CG 4.29Å; V517-R519 PolarHBondContact O-N 3.19Å | ||
| 518 | L | 63.7 | Low | 68 | Low | 143 Ų | 143 | 140 Ų | 140 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | -75.1 | 89.5 | 177.6 | -154.4 | 156.7 | 0 | 0 | 0 | 109.2 | F516 L520 | F516-L518 PolarHBondContact O-N 3.36Å; L518-L520 HydrophobicContact CD2-CD1 3.6Å; L518-L520 HydrophobicContact CD2-CG 4.07Å; L518-L520 PolarHBondContact O-N 3.1Å; L518-L520 VanDerWaalsContact O-N 3.1Å | ||
| 519 | R | 63.6 | Low | 67 | Low | 222 Ų | 222 | 137.8 Ų | 137.8 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -72.3 | 97.3 | 172.8 | -72.5 | -173.5 | 175.8 | 178.5 | -1 | 109.3 | V517 Q521 | V517-R519 HydrophobicContact CG1-CG 4.29Å; V517-R519 PolarHBondContact O-N 3.19Å; R519-Q521 PolarHBondContact O-N 2.72Å | ||
| 520 | L | 66.9 | Low | 65.9 | Low | 146 Ų | 146 | 140.1 Ų | 140.1 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -66.2 | 112.2 | 160.6 | -73.6 | 92.3 | 0 | 0 | 0 | 107.8 | L518 S522 | L518-L520 HydrophobicContact CD2-CD1 3.6Å; L518-L520 HydrophobicContact CD2-CG 4.07Å; L518-L520 PolarHBondContact O-N 3.1Å; L518-L520 VanDerWaalsContact O-N 3.1Å; L520-S522 PolarHBondContact O-N 2.97Å | ||
| 521 | Q | 62.5 | Low | 65 | Low | 160 Ų | 160 | 144.6 Ų | 144.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -68.9 | 110.6 | 162 | -73.4 | 178.9 | -77.2 | 0 | 0 | 107.4 | R519 E523 | R519-Q521 PolarHBondContact O-N 2.72Å; Q521-E523 PolarHBondContact O-N 2.91Å | ||
| 522 | S | 63 | Low | 64 | Low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -76.8 | 55.6 | 173.7 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | L520 T524 | L520-S522 PolarHBondContact O-N 2.97Å; S522-T524 PolarHBondContact O-N 3.33Å | ||
| 523 | E | 60.1 | Low | 63.2 | Low | 160 Ų | 160 | 148.9 Ų | 148.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -91.8 | 49.3 | 170.8 | -72.8 | -176.4 | -159.1 | 0 | 0 | 110.9 | Q521 | Q521-E523 PolarHBondContact O-N 2.91Š| ||
| 524 | T | 56.3 | Low | 62.6 | Low | 132 Ų | 132 | 154.3 Ų | 154.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -136.2 | 88.4 | 157.6 | 54.5 | 0 | 0 | 0 | 0 | 107.5 | S522 | S522-T524 PolarHBondContact O-N 3.33Š| ||
| 525 | S | 52.7 | Low | 62.2 | Low | 112 Ų | 112 | 157.2 Ų | 157.2 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -79.1 | 122.3 | 173 | 53.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 526 | V | 45.8 | Very low | 61.4 | Low | 219 Ų | 219 | 157 Ų | 157 | 100% | 1.327 | 83% | 0.834 | S | S | * | * | trans | 63.5 | 0 | 166.8 | -170.7 | 0 | 0 | 0 | 0 | 115.7 |
Retrieved 526 of 526 residues in 636.5 ms
(Link to these results)