| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.7 | Very low | 33.3 | Very low | 244 Ų | 244 | 159.8 Ų | 159.8 | 100% | 1.202 | 86% | 0.857 | S | S | * | * | 0 | 165.8 | 0 | -73 | 142.9 | 98.2 | 0 | 0 | 108.8 | |||||
| 2 | H | 30.8 | Very low | 33.4 | Very low | 186 Ų | 186 | 157 Ų | 157 | 86% | 0.861 | 85% | 0.85 | S | S | * | * | trans | -50.7 | 170.3 | -173.3 | -80.9 | -82.2 | 0 | 0 | 0 | 117.3 | ||||
| 3 | P | 41.9 | Very low | 33.4 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 67% | 0.669 | 85% | 0.854 | S | S | * | * | cis | -135.3 | 162.1 | -13.9 | 29.6 | -10 | 0 | 0 | 0 | 115.6 | ||||
| 4 | S | 32.5 | Very low | 33.5 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | trans | -100.8 | 136.2 | 153.9 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | R | 36.1 | Very low | 33.5 | Very low | 247 Ų | 247 | 151.5 Ų | 151.5 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | trans | -86 | 151.2 | -179.3 | -64.8 | 177.3 | 178.4 | 171.4 | -1.4 | 111.3 | ||||
| 6 | G | 31.8 | Very low | 33.4 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -109.8 | 155.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 7 | S | 31.3 | Very low | 33.5 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -151.7 | 117.2 | 157.9 | 41.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 8 | H | 31.5 | Very low | 33.5 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | 49.1 | 100.8 | 88.1 | -88.7 | -85 | 0 | 0 | 0 | 113.9 | |||||
| 9 | F | 28 | Very low | 33.6 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -123.9 | 128.8 | 155 | -103.1 | -89.5 | 0 | 0 | 0 | 108.4 | ||||
| 10 | P | 34 | Very low | 33.4 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 66% | 0.662 | 83% | 0.826 | S | S | * | * | trans | -88.4 | 148.8 | -172.6 | 33.8 | -35.1 | 0 | 0 | 0 | 113.7 | T12 | P10-T12 PolarHBondContact O-N 3.43Š| ||
| 11 | L | 37.1 | Very low | 33.3 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -78 | 92.5 | 164.4 | -84.7 | 156.4 | 0 | 0 | 0 | 110.4 | ||||
| 12 | T | 34.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -147.5 | 106 | 160.6 | 45.4 | 0 | 0 | 0 | 0 | 111 | P10 | P10-T12 PolarHBondContact O-N 3.43Š| ||
| 13 | A | 33.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -125.7 | 96.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 14 | N | 33.9 | Very low | 33.7 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -155 | 96.4 | -179.5 | -174.2 | 12 | 0 | 0 | 0 | 111.8 | ||||
| 15 | V | 34.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -141.2 | 100.6 | 148.8 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 16 | T | 32.1 | Very low | 33.8 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | trans | 6.2 | 122 | 142.4 | 11.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 17 | S | 34.8 | Very low | 33.8 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | 37.8 | 132.9 | 126 | 66.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 18 | L | 33.1 | Very low | 34.3 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 165.1 | 137.9 | 132.5 | -109.4 | 71.2 | 0 | 0 | 0 | 107.2 | ||||
| 19 | L | 35.1 | Very low | 34.3 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | -135 | 127 | -6.2 | -78.2 | 156.2 | 0 | 0 | 0 | 107.8 | ||||
| 20 | C | 30.4 | Very low | 34.6 | Very low | 136 Ų | 136 | 136 Ų | 136 | 92% | 0.919 | 78% | 0.781 | S | S | * | * | trans | -101.4 | 99.3 | 164.4 | -162 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | G | 31.4 | Very low | 34.5 | Very low | 62 Ų | 62 | 135.4 Ų | 135.4 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | -66.5 | 131.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V23 | G21-V23 PolarHBondContact O-N 3.11Š| ||
| 22 | H | 40.8 | Very low | 34.2 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -51.8 | 117.4 | 178.5 | -135 | -111.7 | 0 | 0 | 0 | 111.9 | ||||
| 23 | V | 38.8 | Very low | 34.3 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -115.1 | 122.8 | 165.1 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | G21 | G21-V23 PolarHBondContact O-N 3.11Š| ||
| 24 | S | 33.2 | Very low | 34.2 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 57% | 0.566 | 77% | 0.77 | S | S | * | * | trans | -66.1 | 138.2 | -172.6 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | S26 | S24-S26 PolarHBondContact O-N 3.26Å; S24-S26 PolarHBondContact OG-OG 3.27Å | ||
| 25 | L | 36.7 | Very low | 34.5 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -69.2 | 6 | -177.1 | -123.2 | 93.4 | 0 | 0 | 0 | 114.9 | S27 | L25-S27 PolarHBondContact O-N 3.29Š|
| 26 | S | 33.2 | Very low | 34.4 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -84.2 | -8.7 | -156.6 | -46.5 | 0 | 0 | 0 | 0 | 116.1 | S24 | S24-S26 PolarHBondContact O-N 3.26Å; S24-S26 PolarHBondContact OG-OG 3.27Å |
| 27 | S | 31.7 | Very low | 34.6 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -95.8 | -4.7 | -169.8 | -57.1 | 0 | 0 | 0 | 0 | 115.1 | L25 F29 | L25-S27 PolarHBondContact O-N 3.29Å; S27-F29 PolarHBondContact O-N 3.12Å; S27-F29 VanDerWaalsContact O-N 3.13Å |
| 28 | I | 41.8 | Very low | 34.6 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -84.9 | 87.6 | -177.6 | -52.3 | 178.2 | 0 | 0 | 0 | 110.3 | ||||
| 29 | F | 32.3 | Very low | 34.5 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 170 | 100.6 | 130.8 | -102.4 | -73.5 | 0 | 0 | 0 | 111.7 | S27 | S27-F29 PolarHBondContact O-N 3.12Å; S27-F29 VanDerWaalsContact O-N 3.13Å | ||
| 30 | R | 33.8 | Very low | 34.5 | Very low | 251 Ų | 251 | 150.6 Ų | 150.6 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 70.6 | 161.7 | -133.3 | 177.1 | -162 | -168.7 | 5.7 | 111.3 | Y32 | R30-Y32 PolarHBondContact O-N 3.32Š| ||
| 31 | A | 31.1 | Very low | 34.6 | Very low | 90 Ų | 90 | 149.1 Ų | 149.1 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -72 | 92.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R33 | A31-R33 PolarHBondContact O-N 3.28Š| ||
| 32 | Y | 31 | Very low | 34.5 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -87 | 100.7 | 175.3 | -173.6 | -109.3 | 0 | 0 | 0 | 111.7 | R30 R34 | R30-Y32 PolarHBondContact O-N 3.32Å; Y32-R34 HydrophobicContact CD1-CG 4.33Å; Y32-R34 HydrophobicContact CE1-CG 3.73Å; Y32-R34 VanDerWaalsContact CE1-NE 3.33Å; Y32-R34 PolarHBondContact O-N 3.45Å; Y32-R34 PolarHBondContact OH-NE 3.5Å; Y32-R34 PolarHBondContact OH-NH2 3.36Å | ||
| 33 | R | 35.9 | Very low | 34.2 | Very low | 230 Ų | 230 | 156.5 Ų | 156.5 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -83.7 | 96.5 | -172.5 | -170.9 | -173.9 | -164.6 | -178.8 | 7.2 | 112.5 | A31 | A31-R33 PolarHBondContact O-N 3.28Š| ||
| 34 | R | 31.6 | Very low | 33.9 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -100 | 132.9 | 161 | -76.5 | -169.2 | -177.7 | 170.9 | 9 | 111.1 | Y32 | Y32-R34 HydrophobicContact CD1-CG 4.33Å; Y32-R34 HydrophobicContact CE1-CG 3.73Å; Y32-R34 VanDerWaalsContact CE1-NE 3.33Å; Y32-R34 PolarHBondContact O-N 3.45Å; Y32-R34 PolarHBondContact OH-NE 3.5Å; Y32-R34 PolarHBondContact OH-NH2 3.36Å | ||
| 35 | K | 40.4 | Very low | 34 | Very low | 187 Ų | 187 | 161.5 Ų | 161.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -83.5 | 115.8 | 174 | -69.6 | 177.4 | 175.7 | 179.2 | 0 | 110 | ||||
| 36 | T | 33.7 | Very low | 34 | Very low | 140 Ų | 140 | 157.5 Ų | 157.5 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 179.7 | 139.1 | 136.1 | 30.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 37 | K | 36 | Very low | 34.2 | Very low | 189 Ų | 189 | 158.2 Ų | 158.2 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 33.3 | 93.4 | 167.5 | -78.4 | -174.7 | 170.5 | -179 | 0 | 118.1 | D39 | K37-D39 PolarHBondContact O-N 3.05Š|
| 38 | V | 34.8 | Very low | 34.6 | Very low | 142 Ų | 142 | 157 Ų | 157 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | 35.9 | 13.9 | 139.9 | -137.5 | 0 | 0 | 0 | 0 | 122 | V40 | V38-V40 VanDerWaalsContact C-N 3.34Å; V38-V40 PolarHBondContact O-N 3.1Å | ||
| 39 | D | 30.5 | Very low | 34.3 | Very low | 152 Ų | 152 | 159.5 Ų | 159.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -79.3 | 81.8 | 167.6 | -99.1 | -58.2 | 0 | 0 | 0 | 110.2 | K37 C41 | K37-D39 PolarHBondContact O-N 3.05Å; D39-C41 PolarHBondContact O-N 3.08Å | ||
| 40 | V | 35.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 157.7 Ų | 157.7 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 65.4 | 170.4 | -168.4 | 0 | 0 | 0 | 0 | 109.1 | V38 W42 | V38-V40 VanDerWaalsContact C-N 3.34Å; V38-V40 PolarHBondContact O-N 3.1Å; V40-W42 PolarHBondContact O-N 3.1Å | ||
| 41 | C | 32.3 | Very low | 34.4 | Very low | 104 Ų | 104 | 155.9 Ų | 155.9 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -68.4 | 95.9 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 109.1 | D39 R43 | D39-C41 PolarHBondContact O-N 3.08Å; C41-R43 VanDerWaalsContact C-N 3.27Å; C41-R43 PolarHBondContact O-N 3.31Å | ||
| 42 | W | 29.6 | Very low | 34.6 | Very low | 224 Ų | 224 | 158.4 Ų | 158.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -65.5 | 88.6 | 171.4 | -88.4 | 89.3 | 0 | 0 | 0 | 109.9 | V40 I44 | V40-W42 PolarHBondContact O-N 3.1Å; W42-I44 VanDerWaalsContact C-N 3.28Å; W42-I44 PolarHBondContact O-N 3.01Å | ||
| 43 | R | 34.3 | Very low | 34.9 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 77.6 | -178.6 | -165.8 | -179.9 | -162.2 | 173.3 | 4.3 | 110.9 | C41 E45 | C41-R43 VanDerWaalsContact C-N 3.27Å; C41-R43 PolarHBondContact O-N 3.31Å; R43-E45 PolarHBondContact O-N 3.39Å | ||
| 44 | I | 33.1 | Very low | 35 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | -63.5 | 123.4 | 157.3 | -59.5 | 179.1 | 0 | 0 | 0 | 106.6 | W42 G46 | W42-I44 VanDerWaalsContact C-N 3.28Å; W42-I44 PolarHBondContact O-N 3.01Å; I44-G46 PolarHBondContact O-N 3.48Å | ||
| 45 | E | 35.1 | Very low | 35.4 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 131.5 | -174.8 | -60.7 | -166.5 | 125.8 | 0 | 0 | 110.9 | R43 | R43-E45 PolarHBondContact O-N 3.39Š|
| 46 | G | 36.3 | Very low | 35.3 | Very low | 75 Ų | 75 | 143.9 Ų | 143.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.4 | -41.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I44 C48 | I44-G46 PolarHBondContact O-N 3.48Å; G46-C48 PolarHBondContact O-N 3.11Å |
| 47 | C | 38.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -80.5 | 51.4 | -171.1 | -67.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 48 | C | 38.4 | Very low | 36.2 | Very low | 89 Ų | 89 | 135 Ų | 135 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | trans | -144.1 | 61.7 | 178.8 | -79.2 | 0 | 0 | 0 | 0 | 113.8 | G46 | G46-C48 PolarHBondContact O-N 3.11Š| ||
| 49 | F | 35.3 | Very low | 36.8 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -149.2 | 102 | 150.3 | -137.5 | -111.8 | 0 | 0 | 0 | 115 | ||||
| 50 | L | 35.2 | Very low | 37.8 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | S | Bend | 62.8 | 73.1 | 130 | -154 | 78.2 | 0 | 0 | 0 | 121 | |||
| 51 | R | 34.8 | Very low | 38.6 | Very low | 214 Ų | 214 | 127.8 Ų | 127.8 | 81% | 0.808 | 68% | 0.684 | S | S | * | * | -162.9 | 78.3 | 128.5 | -159.7 | 126.4 | 175.3 | 154.2 | -2.2 | 113.5 | I53 | R51-I53 VanDerWaalsContact C-N 3.29Å; R51-I53 HydrophobicContact CG-CD1 3.83Å; R51-I53 HydrophobicContact CG-CG1 3.88Å; R51-I53 VanDerWaalsContact NE-CD1 3.32Å; R51-I53 PolarHBondContact O-N 3.02Å | |||
| 52 | C | 34.6 | Very low | 39.6 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 96% | 0.959 | 66% | 0.662 | S | S | * | * | trans | -73 | 73.4 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 53 | I | 37 | Very low | 40.9 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 55% | 0.554 | 65% | 0.645 | S | S | * | * | trans | -100.2 | 113.3 | 172.3 | -68.2 | -177 | 0 | 0 | 0 | 110 | R51 | R51-I53 VanDerWaalsContact C-N 3.29Å; R51-I53 HydrophobicContact CG-CD1 3.83Å; R51-I53 HydrophobicContact CG-CG1 3.88Å; R51-I53 VanDerWaalsContact NE-CD1 3.32Å; R51-I53 PolarHBondContact O-N 3.02Å | ||
| 54 | K | 38.4 | Very low | 42.1 | Very low | 199 Ų | 199 | 118.2 Ų | 118.2 | 87% | 0.865 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 51.8 | 56.2 | 165.8 | -64 | -172.5 | 175.7 | -177.8 | 0 | 117.2 | ||
| 55 | F | 39.8 | Very low | 43.7 | Very low | 122 Ų | 122 | 115.3 Ų | 115.3 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | trans | -112.3 | 10.4 | 162.7 | -124.4 | -92.3 | 0 | 0 | 0 | 114.8 | S57 S58 T145 | F55-S57 VanDerWaalsContact C-N 3.31Å; F55-S57 PolarHBondContact O-N 3.2Å; F55-S58 PolarHBondContact O-N 2.95Å; F55-T145 HydrophobicContact CE1-CG2 4.22Å; F55-T145 HydrophobicContact CZ-CG2 4.1Å | ||
| 56 | G | 37.7 | Very low | 45.3 | Very low | 56 Ų | 56 | 109 Ų | 109 | 58% | 0.577 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -25.8 | -173 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 57 | S | 44.3 | Very low | 47.1 | Very low | 108 Ų | 108 | 109.9 Ų | 109.9 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.4 | -29.1 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 113.3 | F55 F61 | F55-S57 VanDerWaalsContact C-N 3.31Å; F55-S57 PolarHBondContact O-N 3.2Å; S57-F61 WeakPolarHBondContact O-CB 3.41Å; S57-F61 PolarHBondContact O-N 3.03Å |
| 58 | S | 45.2 | Very low | 49.1 | Very low | 36 Ų | 36 | 109 Ų | 109 | 25% | 0.252 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -77.2 | -45.9 | -171.4 | -171.8 | 0 | 0 | 0 | 0 | 112.1 | F55 A60 F61 L62 | F55-S58 PolarHBondContact O-N 2.95Å; S58-A60 PolarHBondContact O-N 2.92Å; S58-F61 PolarHBondContact O-N 2.91Å; S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.41Å; S58-L62 PolarHBondContact O-N 3.35Å |
| 59 | S | 47.4 | Very low | 51.3 | Low | 75 Ų | 75 | 109 Ų | 109 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -44.8 | 176.8 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | F61 L62 T63 | S59-F61 VanDerWaalsContact C-N 3.35Å; S59-F61 PolarHBondContact O-N 3.15Å; S59-L62 PolarHBondContact O-N 3.44Å; S59-L62 VanDerWaalsContact O-N 3.15Å; S59-T63 PolarHBondContact O-N 3.11Å; S59-T63 PolarHBondContact O-OG1 3.32Å |
| 60 | A | 52.3 | Low | 53.7 | Low | 59 Ų | 59 | 104.7 Ų | 104.7 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.4 | -40.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S58 L62 R64 | S58-A60 PolarHBondContact O-N 2.92Å; A60-L62 VanDerWaalsContact C-N 3.33Å; A60-L62 PolarHBondContact O-N 3.43Å; A60-R64 VanDerWaalsContact O-CB 3.28Å; A60-R64 WeakPolarHBondContact O-CB 3.28Å; A60-R64 PolarHBondContact O-N 2.89Å |
| 61 | F | 51.7 | Low | 56.2 | Low | 117 Ų | 117 | 104.2 Ų | 104.2 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.8 | -176.4 | -104.8 | 0 | 0 | 0 | 112.2 | S57 S58 S59 R64 M65 | S57-F61 WeakPolarHBondContact O-CB 3.41Å; S57-F61 PolarHBondContact O-N 3.03Å; S58-F61 PolarHBondContact O-N 2.91Å; S59-F61 VanDerWaalsContact C-N 3.35Å; S59-F61 PolarHBondContact O-N 3.15Å; F61-R64 PolarHBondContact O-N 3.44Å; F61-M65 HydrophobicContact CD1-CE 4.11Å; F61-M65 HydrophobicContact CE1-CE 3.56Å; F61-M65 HydrophobicContact CE1-CG 4.15Å; F61-M65 HydrophobicContact CE1-SD 3.72Å; F61-M65 HydrophobicContact CZ-CE 4.31Å; F61-M65 HydrophobicContact CZ-CG 4.2Å; F61-M65 HydrophobicContact CZ-SD 3.85Å; F61-M65 PolarHBondContact O-N 3.18Å |
| 62 | L | 53.6 | Low | 58.9 | Low | 43 Ų | 43 | 96.1 Ų | 96.1 | 23% | 0.225 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -74.5 | -41.8 | -178.3 | -63.5 | 174.4 | 0 | 0 | 0 | 112.8 | S58 S59 A60 R64 M65 A66 T142 | S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.41Å; S58-L62 PolarHBondContact O-N 3.35Å; S59-L62 PolarHBondContact O-N 3.44Å; S59-L62 VanDerWaalsContact O-N 3.15Å; A60-L62 VanDerWaalsContact C-N 3.33Å; A60-L62 PolarHBondContact O-N 3.43Å; L62-R64 PolarHBondContact O-N 2.97Å; L62-M65 HydrophobicContact CD2-CE 3.96Å; L62-M65 PolarHBondContact O-N 3.02Å; L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.39Å; L62-T142 HydrophobicContact CD1-CG2 3.46Å; L62-T142 VanDerWaalsContact CD1-CG2 3.46Å; L62-T142 WeakPolarHBondContact CD1-OG1 3.42Å; L62-T142 WeakPolarHBondContact CD2-OG1 3.44Å |
| 63 | T | 57.1 | Low | 61.6 | Low | 83 Ų | 83 | 92.7 Ų | 92.7 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 169.3 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | S59 A66 N67 | S59-T63 PolarHBondContact O-N 3.11Å; S59-T63 PolarHBondContact O-OG1 3.32Å; T63-A66 PolarHBondContact O-N 3.3Å; T63-N67 WeakPolarHBondContact O-CB 3.43Å; T63-N67 PolarHBondContact O-N 3.46Å; T63-N67 PolarHBondContact O-OD1 2.76Å |
| 64 | R | 59.1 | Low | 64.4 | Low | 195 Ų | 195 | 92.3 Ų | 92.3 | 74% | 0.736 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 177.4 | -179.3 | 174 | 162.7 | -179.2 | -7.1 | 113.1 | A60 F61 L62 N67 E68 | A60-R64 VanDerWaalsContact O-CB 3.28Å; A60-R64 WeakPolarHBondContact O-CB 3.28Å; A60-R64 PolarHBondContact O-N 2.89Å; F61-R64 PolarHBondContact O-N 3.44Å; L62-R64 PolarHBondContact O-N 2.97Å; R64-N67 PolarHBondContact O-N 2.67Å; R64-E68 PolarHBondContact O-N 3Å; R64-E68 VanDerWaalsContact O-N 3.14Å |
| 65 | M | 65.1 | Low | 67 | Low | 73 Ų | 73 | 85.2 Ų | 85.2 | 36% | 0.36 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 174.2 | -71.5 | -153.5 | -60.5 | 0 | 0 | 112.8 | F61 L62 R69 | F61-M65 HydrophobicContact CD1-CE 4.11Å; F61-M65 HydrophobicContact CE1-CE 3.56Å; F61-M65 HydrophobicContact CE1-CG 4.15Å; F61-M65 HydrophobicContact CE1-SD 3.72Å; F61-M65 HydrophobicContact CZ-CE 4.31Å; F61-M65 HydrophobicContact CZ-CG 4.2Å; F61-M65 HydrophobicContact CZ-SD 3.85Å; F61-M65 PolarHBondContact O-N 3.18Å; L62-M65 HydrophobicContact CD2-CE 3.96Å; L62-M65 PolarHBondContact O-N 3.02Å; M65-R69 WeakPolarHBondContact O-CG 3.49Å; M65-R69 PolarHBondContact O-N 2.85Å; M65-R69 VanDerWaalsContact O-N 3.17Å |
| 66 | A | 69.6 | Low | 69.7 | Low | 50 Ų | 50 | 79.7 Ų | 79.7 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L62 T63 E68 R69 L70 | L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.39Å; T63-A66 PolarHBondContact O-N 3.3Å; A66-E68 PolarHBondContact O-N 3.28Å; A66-R69 PolarHBondContact O-N 3.4Å; A66-L70 WeakPolarHBondContact O-CG 3.48Å; A66-L70 PolarHBondContact O-N 2.99Å |
| 67 | N | 73.4 | Confident | 72.5 | Confident | 93 Ų | 93 | 83.7 Ų | 83.7 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.6 | -70.6 | -3.8 | 0 | 0 | 0 | 112.5 | T63 R64 L70 R71 | T63-N67 WeakPolarHBondContact O-CB 3.43Å; T63-N67 PolarHBondContact O-N 3.46Å; T63-N67 PolarHBondContact O-OD1 2.76Å; R64-N67 PolarHBondContact O-N 2.67Å; N67-L70 PolarHBondContact O-N 2.82Å; N67-R71 WeakPolarHBondContact O-CB 3.28Å; N67-R71 PolarHBondContact O-N 3.38Å |
| 68 | E | 80.9 | Confident | 75 | Confident | 96 Ų | 96 | 83.8 Ų | 83.8 | 45% | 0.449 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 176 | -167 | 64.3 | -164.9 | 0 | 0 | 111.5 | R64 A66 R71 I72 | R64-E68 PolarHBondContact O-N 3Å; R64-E68 VanDerWaalsContact O-N 3.14Å; A66-E68 PolarHBondContact O-N 3.28Å; E68-R71 PolarHBondContact O-N 3.45Å; E68-R71 IonicContact OE1-NH1 2.73Å; E68-R71 IonicContact OE2-NH1 2.65Å; E68-I72 WeakPolarHBondContact O-CG1 3.36Å; E68-I72 PolarHBondContact O-N 3.38Å |
| 69 | R | 84.3 | Confident | 77.4 | Confident | 88 Ų | 88 | 82.8 Ų | 82.8 | 33% | 0.332 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 174.7 | -69.2 | -76.1 | 172.7 | -177.1 | -4.6 | 112.5 | M65 A66 L73 Y128 | M65-R69 WeakPolarHBondContact O-CG 3.49Å; M65-R69 PolarHBondContact O-N 2.85Å; M65-R69 VanDerWaalsContact O-N 3.17Å; A66-R69 PolarHBondContact O-N 3.4Å; R69-L73 WeakPolarHBondContact O-CG 3.49Å; R69-L73 PolarHBondContact O-N 2.85Å; R69-Y128 HydrophobicContact CG-CE1 4.3Å |
| 70 | L | 85.8 | Confident | 79.8 | Confident | 99 Ų | 99 | 82.6 Ų | 82.6 | 52% | 0.518 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 173.1 | -72.8 | 169.4 | 0 | 0 | 0 | 111.4 | A66 N67 I72 L73 E74 | A66-L70 WeakPolarHBondContact O-CG 3.48Å; A66-L70 PolarHBondContact O-N 2.99Å; N67-L70 PolarHBondContact O-N 2.82Å; L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 PolarHBondContact O-N 2.95Å; L70-L73 CarbonylContact O-C 3.59Å; L70-L73 WeakPolarHBondContact O-CA 3.49Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 3.13Å; L70-E74 PolarHBondContact O-N 3.44Å |
| 71 | R | 89.1 | Confident | 81.9 | Confident | 133 Ų | 133 | 82.6 Ų | 82.6 | 50% | 0.502 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 177.6 | -177.1 | -175 | 173.2 | -155.4 | -0.5 | 112.9 | N67 E68 L73 E74 D75 | N67-R71 WeakPolarHBondContact O-CB 3.28Å; N67-R71 PolarHBondContact O-N 3.38Å; E68-R71 PolarHBondContact O-N 3.45Å; E68-R71 IonicContact OE1-NH1 2.73Å; E68-R71 IonicContact OE2-NH1 2.65Å; R71-L73 VanDerWaalsContact C-N 3.29Å; R71-L73 PolarHBondContact O-N 2.65Å; R71-E74 WeakPolarHBondContact O-CB 3.45Å; R71-E74 PolarHBondContact O-N 2.73Å; R71-D75 PolarHBondContact O-N 2.92Å |
| 72 | I | 90.8 | Very high | 84.1 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -38.4 | 175.1 | -62.8 | 160.5 | 0 | 0 | 0 | 110.6 | E68 L70 D75 V76 Q125 | E68-I72 WeakPolarHBondContact O-CG1 3.36Å; E68-I72 PolarHBondContact O-N 3.38Å; L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 PolarHBondContact O-N 2.95Å; I72-D75 PolarHBondContact O-N 3.29Å; I72-V76 WeakPolarHBondContact O-CG2 3.34Å; I72-V76 PolarHBondContact O-N 3.32Å; I72-Q125 VanDerWaalsContact CG2-NE2 3.34Å |
| 73 | L | 91.8 | Very high | 86.2 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 175 | -69.1 | 167.6 | 0 | 0 | 0 | 112.5 | R69 L70 R71 D75 V76 E77 L122 Q125 | R69-L73 WeakPolarHBondContact O-CG 3.49Å; R69-L73 PolarHBondContact O-N 2.85Å; L70-L73 CarbonylContact O-C 3.59Å; L70-L73 WeakPolarHBondContact O-CA 3.49Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 3.13Å; R71-L73 VanDerWaalsContact C-N 3.29Å; R71-L73 PolarHBondContact O-N 2.65Å; L73-D75 VanDerWaalsContact C-N 3.3Å; L73-D75 PolarHBondContact O-N 2.93Å; L73-V76 PolarHBondContact O-N 2.94Å; L73-E77 PolarHBondContact O-N 3.37Å; L73-L122 HydrophobicContact CD2-CD1 4.33Å; L73-Q125 HydrophobicContact CD2-CB 4.27Å; L73-Q125 HydrophobicContact CD2-CG 3.89Å; L73-Q125 HydrophobicContact CG-CG 4.32Å |
| 74 | E | 94.1 | Very high | 88.2 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 170.8 | -65.8 | 172.3 | -167.8 | 0 | 0 | 111.8 | L70 R71 E77 K78 | L70-E74 PolarHBondContact O-N 3.44Å; R71-E74 WeakPolarHBondContact O-CB 3.45Å; R71-E74 PolarHBondContact O-N 2.73Å; E74-E77 PolarHBondContact O-N 2.95Å; E74-K78 WeakPolarHBondContact O-CD 3.5Å; E74-K78 WeakPolarHBondContact O-CE 3.18Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 3.03Å; E74-K78 VanDerWaalsContact O-N 3.16Å |
| 75 | D | 93.9 | Very high | 90 | Very high | 51 Ų | 51 | 76.1 Ų | 76.1 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.7 | -23.3 | 177.4 | -72.6 | -23.8 | 0 | 0 | 0 | 113.1 | R71 I72 L73 K78 D79 R117 | R71-D75 PolarHBondContact O-N 2.92Å; I72-D75 PolarHBondContact O-N 3.29Å; L73-D75 VanDerWaalsContact C-N 3.3Å; L73-D75 PolarHBondContact O-N 2.93Å; D75-K78 IonicContact OD1-NZ 3.83Å; D75-K78 PolarHBondContact OD1-NZ 2.85Å; D75-D79 PolarHBondContact O-N 3.24Å; D75-R117 PolarHBondContact O-NH2 3.47Å; D75-R117 VanDerWaalsContact O-NH2 3.11Å |
| 76 | V | 96.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -77.5 | -36.8 | 168.1 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | I72 L73 K78 D79 I80 V118 E121 | I72-V76 WeakPolarHBondContact O-CG2 3.34Å; I72-V76 PolarHBondContact O-N 3.32Å; L73-V76 PolarHBondContact O-N 2.94Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.26Å; V76-D79 WeakPolarHBondContact O-CB 3.3Å; V76-D79 PolarHBondContact O-N 2.91Å; V76-D79 VanDerWaalsContact O-N 3.15Å; V76-I80 HydrophobicContact CG1-CD1 4.13Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.02Å; V76-V118 HydrophobicContact CG1-CG1 4.07Å; V76-V118 HydrophobicContact CG1-CG2 4.4Å; V76-E121 HydrophobicContact CG2-CB 3.52Å; V76-E121 HydrophobicContact CG2-CG 4.33Å |
| 77 | E | 96.7 | Very high | 92.9 | Very high | 141 Ų | 141 | 71.9 Ų | 71.9 | 66% | 0.659 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.9 | -38 | 173.6 | -172.6 | 175.3 | -172.3 | 0 | 0 | 111.3 | L73 E74 I80 A81 | L73-E77 PolarHBondContact O-N 3.37Å; E74-E77 PolarHBondContact O-N 2.95Å; E77-I80 PolarHBondContact O-N 3.01Å; E77-A81 PolarHBondContact O-N 3.47Å; E77-A81 VanDerWaalsContact O-N 3.12Å |
| 78 | K | 96.4 | Very high | 94 | Very high | 109 Ų | 109 | 69 Ų | 69 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 172.9 | -67.2 | 160 | -147.6 | 157.2 | 0 | 112.4 | E74 D75 V76 A81 V82 | E74-K78 WeakPolarHBondContact O-CD 3.5Å; E74-K78 WeakPolarHBondContact O-CE 3.18Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 3.03Å; E74-K78 VanDerWaalsContact O-N 3.16Å; D75-K78 IonicContact OD1-NZ 3.83Å; D75-K78 PolarHBondContact OD1-NZ 2.85Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.26Å; K78-A81 PolarHBondContact O-N 3.04Å; K78-V82 WeakPolarHBondContact O-CG2 3.45Å; K78-V82 PolarHBondContact O-N 3.3Å |
| 79 | D | 96.1 | Very high | 94.7 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 8% | 0.08 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 171.9 | -71.5 | -37.5 | 0 | 0 | 0 | 111.5 | D75 V76 A81 V82 V83 S114 R117 V118 | D75-D79 PolarHBondContact O-N 3.24Å; V76-D79 WeakPolarHBondContact O-CB 3.3Å; V76-D79 PolarHBondContact O-N 2.91Å; V76-D79 VanDerWaalsContact O-N 3.15Å; D79-A81 PolarHBondContact O-N 3.39Å; D79-V82 CarbonylContact O-C 3.51Å; D79-V82 WeakPolarHBondContact O-CA 3.43Å; D79-V82 WeakPolarHBondContact O-CB 3.33Å; D79-V82 PolarHBondContact O-N 2.86Å; D79-V83 WeakPolarHBondContact O-CG2 3.5Å; D79-V83 PolarHBondContact O-N 2.88Å; D79-S114 PolarHBondContact O-OG 2.96Å; D79-R117 VanDerWaalsContact CG-CZ 3.44Å; D79-R117 IonicContact OD1-CZ 2.9Å; D79-R117 IonicContact OD1-NE 3.61Å; D79-R117 PolarHBondContact OD1-NE 2.84Å; D79-R117 IonicContact OD1-NH2 2.66Å; D79-R117 PolarHBondContact OD1-NH2 2.86Å; D79-R117 IonicContact OD2-CZ 3.75Å; D79-R117 IonicContact OD2-NE 2.76Å; D79-R117 PolarHBondContact OD2-NE 3.05Å; D79-R117 IonicContact OD2-NH1 3.22Å; D79-R117 IonicContact OD2-NH2 2.84Å; D79-R117 PolarHBondContact OD2-NH2 2.7Å; D79-V118 HydrophobicContact CB-CG2 3.4Å |
| 80 | I | 97.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 63.5 Ų | 63.5 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.7 | -39.4 | -179.8 | -68.1 | 166 | 0 | 0 | 0 | 110.4 | V76 E77 V82 V83 L84 V118 | V76-I80 HydrophobicContact CG1-CD1 4.13Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.02Å; E77-I80 PolarHBondContact O-N 3.01Å; I80-V82 PolarHBondContact O-N 3.12Å; I80-V83 PolarHBondContact O-N 2.96Å; I80-L84 HydrophobicContact CG2-CD1 4.16Å; I80-L84 WeakPolarHBondContact O-CB 3.39Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.5Å; I80-L84 PolarHBondContact O-N 3.37Å; I80-V118 HydrophobicContact CD1-CG1 4.17Å; I80-V118 HydrophobicContact CG1-CG1 3.9Å; I80-V118 HydrophobicContact CG1-CG2 3.79Å |
| 81 | A | 97.7 | Very high | 95.9 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | E77 K78 D79 Q85 | E77-A81 PolarHBondContact O-N 3.47Å; E77-A81 VanDerWaalsContact O-N 3.12Å; K78-A81 PolarHBondContact O-N 3.04Å; D79-A81 PolarHBondContact O-N 3.39Å; A81-Q85 WeakPolarHBondContact O-CB 3.48Å; A81-Q85 PolarHBondContact O-N 2.89Å |
| 82 | V | 97 | Very high | 96.2 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | K78 D79 I80 L84 Q85 C86 Q110 | K78-V82 WeakPolarHBondContact O-CG2 3.45Å; K78-V82 PolarHBondContact O-N 3.3Å; D79-V82 CarbonylContact O-C 3.51Å; D79-V82 WeakPolarHBondContact O-CA 3.43Å; D79-V82 WeakPolarHBondContact O-CB 3.33Å; D79-V82 PolarHBondContact O-N 2.86Å; I80-V82 PolarHBondContact O-N 3.12Å; V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 PolarHBondContact O-N 3.23Å; V82-Q85 PolarHBondContact O-N 3.48Å; V82-C86 WeakPolarHBondContact O-CB 3.49Å; V82-C86 PolarHBondContact O-N 2.87Å; V82-C86 PolarHBondContact O-SG 2.79Å; V82-Q110 HydrophobicContact CG1-CG 4.45Å |
| 83 | V | 98.2 | Very high | 96.5 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 174.6 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | D79 I80 C86 A87 F111 S114 I115 V118 | D79-V83 WeakPolarHBondContact O-CG2 3.5Å; D79-V83 PolarHBondContact O-N 2.88Å; I80-V83 PolarHBondContact O-N 2.96Å; V83-C86 PolarHBondContact O-N 3.25Å; V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 3.45Å; V83-F111 HydrophobicContact CG1-CD2 3.85Å; V83-F111 HydrophobicContact CG1-CE2 3.47Å; V83-F111 VanDerWaalsContact CG1-CE2 3.47Å; V83-F111 HydrophobicContact CG1-CZ 4.2Å; V83-F111 WeakPolarHBondContact O-CD2 3.47Å; V83-S114 WeakPolarHBondContact CG2-OG 3.46Å; V83-I115 HydrophobicContact CG1-CB 4.36Å; V83-I115 HydrophobicContact CG1-CD1 4.42Å; V83-I115 HydrophobicContact CG1-CG1 4.48Å; V83-I115 HydrophobicContact CG2-CB 4.06Å; V83-V118 HydrophobicContact CG2-CG2 4.45Å |
| 84 | L | 98.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 62.3 Ų | 62.3 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 177.5 | -69.2 | 172.9 | 0 | 0 | 0 | 112.3 | I80 V82 A87 G88 | I80-L84 HydrophobicContact CG2-CD1 4.16Å; I80-L84 WeakPolarHBondContact O-CB 3.39Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.5Å; I80-L84 PolarHBondContact O-N 3.37Å; V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 PolarHBondContact O-N 3.23Å; L84-A87 PolarHBondContact O-N 3.21Å; L84-G88 PolarHBondContact O-N 3.22Å |
| 85 | Q | 97.6 | Very high | 96.7 | Very high | 123 Ų | 123 | 61.8 Ų | 61.8 | 58% | 0.575 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 175.6 | -171.4 | 178.7 | 20.3 | 0 | 0 | 111.8 | A81 V82 G88 N89 | A81-Q85 WeakPolarHBondContact O-CB 3.48Å; A81-Q85 PolarHBondContact O-N 2.89Å; V82-Q85 PolarHBondContact O-N 3.48Å; Q85-G88 PolarHBondContact O-N 3.04Å; Q85-N89 WeakPolarHBondContact O-CB 3.45Å; Q85-N89 VanDerWaalsContact O-CG 3.25Å; Q85-N89 PolarHBondContact O-N 3.15Å |
| 86 | C | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.4 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | V82 V83 N89 I90 Q110 F111 | V82-C86 WeakPolarHBondContact O-CB 3.49Å; V82-C86 PolarHBondContact O-N 2.87Å; V82-C86 PolarHBondContact O-SG 2.79Å; V83-C86 PolarHBondContact O-N 3.25Å; C86-N89 PolarHBondContact O-N 3.4Å; C86-I90 WeakPolarHBondContact O-CD1 3.27Å; C86-I90 VanDerWaalsContact O-CG1 3.25Å; C86-I90 WeakPolarHBondContact O-CG1 3.49Å; C86-I90 PolarHBondContact O-N 3.43Å; C86-Q110 VanDerWaalsContact SG-CG 3.59Å; C86-F111 HydrophobicContact CB-CB 3.91Å; C86-F111 HydrophobicContact CB-CD2 4.31Å |
| 87 | A | 97.8 | Very high | 96.5 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V83 L84 N89 I90 V91 F111 | V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 3.45Å; L84-A87 PolarHBondContact O-N 3.21Å; A87-N89 PolarHBondContact O-N 3.2Å; A87-I90 PolarHBondContact O-N 3Å; A87-V91 WeakPolarHBondContact O-CG2 3.16Å; A87-V91 PolarHBondContact O-N 3.3Å; A87-F111 HydrophobicContact CB-CD2 4.22Å; A87-F111 HydrophobicContact CB-CE2 4Å |
| 88 | G | 97.5 | Very high | 96.3 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 32% | 0.32 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L84 Q85 I90 V91 L92 | L84-G88 PolarHBondContact O-N 3.22Å; Q85-G88 PolarHBondContact O-N 3.04Å; G88-I90 VanDerWaalsContact C-N 3.34Å; G88-I90 PolarHBondContact O-N 2.72Å; G88-V91 PolarHBondContact O-N 3.49Å; G88-L92 WeakPolarHBondContact O-CB 3.35Å; G88-L92 VanDerWaalsContact O-CG 3.27Å; G88-L92 WeakPolarHBondContact O-CG 3.37Å; G88-L92 PolarHBondContact O-N 2.96Å |
| 89 | N | 96.1 | Very high | 96.1 | Very high | 49 Ų | 49 | 74.2 Ų | 74.2 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 175.8 | -73 | -8.5 | 0 | 0 | 0 | 112.7 | Q85 C86 A87 E93 F103 Q107 | Q85-N89 WeakPolarHBondContact O-CB 3.45Å; Q85-N89 VanDerWaalsContact O-CG 3.25Å; Q85-N89 PolarHBondContact O-N 3.15Å; C86-N89 PolarHBondContact O-N 3.4Å; A87-N89 PolarHBondContact O-N 3.2Å; N89-E93 WeakPolarHBondContact O-CB 3.46Å; N89-E93 PolarHBondContact O-N 2.91Å; N89-F103 HydrophobicContact CB-CE1 4.18Å; N89-F103 HydrophobicContact CB-CZ 4.06Å; N89-Q107 HydrophobicContact CB-CG 4.14Å; N89-Q107 PolarHBondContact ND2-NE2 3.25Å |
| 90 | I | 97.1 | Very high | 96 | Very high | 20 Ų | 20 | 77.5 Ų | 77.5 | 10% | 0.103 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 176.7 | -71.1 | 159.9 | 0 | 0 | 0 | 110.3 | C86 A87 G88 L92 E93 L94 L104 Q107 L108 F111 | C86-I90 WeakPolarHBondContact O-CD1 3.27Å; C86-I90 VanDerWaalsContact O-CG1 3.25Å; C86-I90 WeakPolarHBondContact O-CG1 3.49Å; C86-I90 PolarHBondContact O-N 3.43Å; A87-I90 PolarHBondContact O-N 3Å; G88-I90 VanDerWaalsContact C-N 3.34Å; G88-I90 PolarHBondContact O-N 2.72Å; I90-L92 PolarHBondContact O-N 3.04Å; I90-E93 PolarHBondContact O-N 2.9Å; I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.43Å; I90-L94 WeakPolarHBondContact O-CB 3.45Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 3.23Å; I90-L104 HydrophobicContact CB-CD2 4.45Å; I90-L104 HydrophobicContact CG2-CD2 4.13Å; I90-Q107 HydrophobicContact CD1-CB 4.08Å; I90-Q107 HydrophobicContact CG1-CB 3.65Å; I90-L108 HydrophobicContact CD1-CD2 3.79Å; I90-L108 HydrophobicContact CD1-CG 3.93Å; I90-L108 HydrophobicContact CG1-CG 4.47Å; I90-F111 HydrophobicContact CD1-CB 4.4Å |
| 91 | V | 97.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 77.7 Ų | 77.7 | 60% | 0.6 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | A87 G88 E93 L94 S95 | A87-V91 WeakPolarHBondContact O-CG2 3.16Å; A87-V91 PolarHBondContact O-N 3.3Å; G88-V91 PolarHBondContact O-N 3.49Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.06Å; V91-L94 PolarHBondContact O-N 3.42Å; V91-S95 PolarHBondContact O-N 2.74Å |
| 92 | L | 96.2 | Very high | 95.7 | Very high | 112 Ų | 112 | 77.9 Ų | 77.9 | 59% | 0.586 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70 | -25.6 | 176.8 | -71.9 | 170.5 | 0 | 0 | 0 | 113.9 | G88 I90 S95 K96 | G88-L92 WeakPolarHBondContact O-CB 3.35Å; G88-L92 VanDerWaalsContact O-CG 3.27Å; G88-L92 WeakPolarHBondContact O-CG 3.37Å; G88-L92 PolarHBondContact O-N 2.96Å; I90-L92 PolarHBondContact O-N 3.04Å; L92-S95 PolarHBondContact O-OG 2.89Å; L92-K96 WeakPolarHBondContact O-CE 3.42Å |
| 93 | E | 95.5 | Very high | 95.6 | Very high | 16 Ų | 16 | 78.8 Ų | 78.8 | 8% | 0.075 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -80.2 | -37 | 172.4 | -171.1 | 66.2 | -144 | 0 | 0 | 111.3 | N89 I90 V91 S95 K96 H99 N100 F103 L104 | N89-E93 WeakPolarHBondContact O-CB 3.46Å; N89-E93 PolarHBondContact O-N 2.91Å; I90-E93 PolarHBondContact O-N 2.9Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.06Å; E93-S95 PolarHBondContact O-N 3.45Å; E93-K96 IonicContact OE1-NZ 2.65Å; E93-K96 IonicContact OE2-NZ 3.71Å; E93-K96 PolarHBondContact OE2-NZ 2.94Å; E93-H99 HydrophobicContact CG-CB 4.39Å; E93-H99 PolarHBondContact O-CD2 3.29Å; E93-N100 WeakPolarHBondContact OE1-CB 3.45Å; E93-N100 PolarHBondContact OE1-N 3.27Å; E93-F103 HydrophobicContact CB-CD1 4.08Å; E93-F103 HydrophobicContact CB-CE1 4.22Å; E93-F103 HydrophobicContact CG-CD1 3.88Å; E93-F103 HydrophobicContact CG-CE1 4.5Å; E93-L104 HydrophobicContact CB-CD2 3.77Å; E93-L104 HydrophobicContact CB-CG 4.3Å; E93-L104 HydrophobicContact CG-CD1 4.38Å; E93-L104 HydrophobicContact CG-CD2 3.88Å; E93-L104 HydrophobicContact CG-CG 3.83Å |
| 94 | L | 95.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 79 Ų | 79 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.2 | -13.1 | 174.7 | -70.2 | 173.6 | 0 | 0 | 0 | 113.8 | I90 V91 K96 L104 | I90-L94 HydrophobicContact CG2-CD1 3.78Å; I90-L94 HydrophobicContact CG2-CG 4.43Å; I90-L94 WeakPolarHBondContact O-CB 3.45Å; I90-L94 VanDerWaalsContact O-CG 3.3Å; I90-L94 WeakPolarHBondContact O-CG 3.33Å; I90-L94 PolarHBondContact O-N 3.23Å; V91-L94 PolarHBondContact O-N 3.42Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-L104 HydrophobicContact CD2-CD1 3.83Å; L94-L104 HydrophobicContact CD2-CD2 4.24Å; L94-L104 HydrophobicContact CG-CD1 4.49Å; L94-L104 HydrophobicContact CG-CD2 4.01Å |
| 95 | S | 95.8 | Very high | 95.5 | Very high | 89 Ų | 89 | 78.1 Ų | 78.1 | 62% | 0.622 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 14.6 | 176.1 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | V91 L92 E93 | V91-S95 PolarHBondContact O-N 2.74Å; L92-S95 PolarHBondContact O-OG 2.89Å; E93-S95 PolarHBondContact O-N 3.45Å |
| 96 | K | 95.5 | Very high | 95.4 | Very high | 97 Ų | 97 | 80.3 Ų | 80.3 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -109.3 | 144 | -178.5 | -62 | 171.9 | -177.8 | 175.8 | 0 | 110.5 | L92 E93 L94 K98 H99 | L92-K96 WeakPolarHBondContact O-CE 3.42Å; E93-K96 IonicContact OE1-NZ 2.65Å; E93-K96 IonicContact OE2-NZ 3.71Å; E93-K96 PolarHBondContact OE2-NZ 2.94Å; L94-K96 VanDerWaalsContact C-N 3.33Å; K96-K98 PolarHBondContact O-N 3.34Å; K96-H99 PolarHBondContact O-CD2 2.7Å; K96-H99 PolarHBondContact O-NE2 2.99Å |
| 97 | D | 90.5 | Very high | 95.5 | Very high | 180 Ų | 180 | 81.2 Ų | 81.2 | 96% | 0.963 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -58 | -19.4 | 177 | -50 | -71.8 | 0 | 0 | 0 | 114.1 | ||
| 98 | K | 92.8 | Very high | 95.4 | Very high | 190 Ų | 190 | 83.1 Ų | 83.1 | 83% | 0.826 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -142.7 | 96.2 | 175.2 | -174 | 178.4 | 179.2 | 178.6 | 0 | 111.3 | K96 | K96-K98 PolarHBondContact O-N 3.34Š|
| 99 | H | 90.9 | Very high | 95.5 | Very high | 99 Ų | 99 | 85.1 Ų | 85.1 | 46% | 0.458 | 45% | 0.448 | S | S | . | . | trans | -72.9 | 143.2 | 179.2 | -15.9 | 97.8 | 0 | 0 | 0 | 113.1 | E93 K96 A101 L104 | E93-H99 HydrophobicContact CG-CB 4.39Å; E93-H99 PolarHBondContact O-CD2 3.29Å; K96-H99 PolarHBondContact O-CD2 2.7Å; K96-H99 PolarHBondContact O-NE2 2.99Å; H99-A101 PolarHBondContact O-N 3.4Å; H99-L104 HydrophobicContact CB-CD1 3.95Å | ||
| 100 | N | 94.1 | Very high | 95.5 | Very high | 85 Ų | 85 | 87 Ų | 87 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | trans | -86.2 | 98.5 | 170.9 | -178.8 | -7.8 | 0 | 0 | 0 | 111.5 | E93 S102 F103 L104 | E93-N100 WeakPolarHBondContact OE1-CB 3.45Å; E93-N100 PolarHBondContact OE1-N 3.27Å; N100-S102 VanDerWaalsContact C-N 3.3Å; N100-S102 PolarHBondContact O-N 2.9Å; N100-S102 PolarHBondContact OD1-N 2.94Å; N100-S102 VanDerWaalsContact OD1-N 3.13Å; N100-F103 HydrophobicContact CB-CB 3.99Å; N100-F103 PolarHBondContact O-N 3.5Å; N100-F103 VanDerWaalsContact O-N 3.09Å; N100-F103 PolarHBondContact OD1-N 3.36Å; N100-L104 PolarHBondContact O-N 3.47Å | ||
| 101 | A | 93.7 | Very high | 95.6 | Very high | 75 Ų | 75 | 88.7 Ų | 88.7 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -56 | -36.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H99 L104 D105 | H99-A101 PolarHBondContact O-N 3.4Å; A101-L104 PolarHBondContact O-N 2.96Å; A101-D105 WeakPolarHBondContact O-CB 3.18Å; A101-D105 PolarHBondContact O-N 2.7Å |
| 102 | S | 96.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 89.5 Ų | 89.5 | 43% | 0.434 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.6 | -24.2 | 179.7 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | N100 R106 | N100-S102 VanDerWaalsContact C-N 3.3Å; N100-S102 PolarHBondContact O-N 2.9Å; N100-S102 PolarHBondContact OD1-N 2.94Å; N100-S102 VanDerWaalsContact OD1-N 3.13Å; S102-R106 WeakPolarHBondContact O-CD 3.41Å; S102-R106 VanDerWaalsContact O-CG 3.24Å; S102-R106 WeakPolarHBondContact O-CG 3.07Å; S102-R106 PolarHBondContact O-NE 3.01Å |
| 103 | F | 95.1 | Very high | 95.7 | Very high | 64 Ų | 64 | 88.8 Ų | 88.8 | 28% | 0.281 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -74.9 | -46.7 | 169.1 | 178.5 | -104.6 | 0 | 0 | 0 | 110.9 | N89 E93 N100 D105 R106 Q107 | N89-F103 HydrophobicContact CB-CE1 4.18Å; N89-F103 HydrophobicContact CB-CZ 4.06Å; E93-F103 HydrophobicContact CB-CD1 4.08Å; E93-F103 HydrophobicContact CB-CE1 4.22Å; E93-F103 HydrophobicContact CG-CD1 3.88Å; E93-F103 HydrophobicContact CG-CE1 4.5Å; N100-F103 HydrophobicContact CB-CB 3.99Å; N100-F103 PolarHBondContact O-N 3.5Å; N100-F103 VanDerWaalsContact O-N 3.09Å; N100-F103 PolarHBondContact OD1-N 3.36Å; F103-D105 VanDerWaalsContact C-N 3.35Å; F103-D105 PolarHBondContact O-N 3.27Å; F103-R106 PolarHBondContact O-N 2.64Å; F103-Q107 HydrophobicContact CD1-CG 4.11Å; F103-Q107 HydrophobicContact CD2-CG 4.26Å; F103-Q107 HydrophobicContact CE1-CG 3.71Å; F103-Q107 HydrophobicContact CE2-CG 3.86Å; F103-Q107 HydrophobicContact CG-CG 4.38Å; F103-Q107 HydrophobicContact CZ-CG 3.58Å; F103-Q107 WeakPolarHBondContact O-CG 3.37Å; F103-Q107 PolarHBondContact O-N 2.91Å |
| 104 | L | 96.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 88.5 Ų | 88.5 | 12% | 0.115 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -54.2 | -48.7 | 176.5 | -74.6 | 171.9 | 0 | 0 | 0 | 112.3 | I90 E93 L94 H99 N100 A101 R106 Q107 L108 | I90-L104 HydrophobicContact CB-CD2 4.45Å; I90-L104 HydrophobicContact CG2-CD2 4.13Å; E93-L104 HydrophobicContact CB-CD2 3.77Å; E93-L104 HydrophobicContact CB-CG 4.3Å; E93-L104 HydrophobicContact CG-CD1 4.38Å; E93-L104 HydrophobicContact CG-CD2 3.88Å; E93-L104 HydrophobicContact CG-CG 3.83Å; L94-L104 HydrophobicContact CD2-CD1 3.83Å; L94-L104 HydrophobicContact CD2-CD2 4.24Å; L94-L104 HydrophobicContact CG-CD1 4.49Å; L94-L104 HydrophobicContact CG-CD2 4.01Å; H99-L104 HydrophobicContact CB-CD1 3.95Å; N100-L104 PolarHBondContact O-N 3.47Å; A101-L104 PolarHBondContact O-N 2.96Å; L104-R106 PolarHBondContact O-N 3.49Å; L104-Q107 PolarHBondContact O-N 3.33Å; L104-L108 WeakPolarHBondContact O-CB 3.26Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 2.24Å; L104-L108 PolarHBondContact O-N 3.38Å |
| 105 | D | 96.6 | Very high | 95.8 | Very high | 100 Ų | 100 | 86.6 Ų | 86.6 | 54% | 0.535 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 178.9 | -176.2 | 64.1 | 0 | 0 | 0 | 112.3 | A101 F103 Q107 L108 V109 | A101-D105 WeakPolarHBondContact O-CB 3.18Å; A101-D105 PolarHBondContact O-N 2.7Å; F103-D105 VanDerWaalsContact C-N 3.35Å; F103-D105 PolarHBondContact O-N 3.27Å; D105-Q107 PolarHBondContact O-N 3.03Å; D105-L108 PolarHBondContact O-N 3.39Å; D105-V109 WeakPolarHBondContact O-CG2 3.05Å; D105-V109 PolarHBondContact O-N 2.72Å |
| 106 | R | 97 | Very high | 95.9 | Very high | 168 Ų | 168 | 85 Ų | 85 | 63% | 0.634 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 175.8 | -67.9 | 170.5 | -167.9 | -161.2 | 2.4 | 112.5 | S102 F103 L104 L108 V109 Q110 | S102-R106 WeakPolarHBondContact O-CD 3.41Å; S102-R106 VanDerWaalsContact O-CG 3.24Å; S102-R106 WeakPolarHBondContact O-CG 3.07Å; S102-R106 PolarHBondContact O-NE 3.01Å; F103-R106 PolarHBondContact O-N 2.64Å; L104-R106 PolarHBondContact O-N 3.49Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.91Å; R106-V109 PolarHBondContact O-N 2.89Å; R106-Q110 WeakPolarHBondContact O-CB 3.45Å; R106-Q110 PolarHBondContact O-N 3.34Å |
| 107 | Q | 97.5 | Very high | 96 | Very high | 21 Ų | 21 | 85.7 Ų | 85.7 | 10% | 0.098 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 177.9 | -66.5 | -55.4 | 130.5 | 0 | 0 | 111.9 | N89 I90 F103 L104 D105 F111 | N89-Q107 HydrophobicContact CB-CG 4.14Å; N89-Q107 PolarHBondContact ND2-NE2 3.25Å; I90-Q107 HydrophobicContact CD1-CB 4.08Å; I90-Q107 HydrophobicContact CG1-CB 3.65Å; F103-Q107 HydrophobicContact CD1-CG 4.11Å; F103-Q107 HydrophobicContact CD2-CG 4.26Å; F103-Q107 HydrophobicContact CE1-CG 3.71Å; F103-Q107 HydrophobicContact CE2-CG 3.86Å; F103-Q107 HydrophobicContact CG-CG 4.38Å; F103-Q107 HydrophobicContact CZ-CG 3.58Å; F103-Q107 WeakPolarHBondContact O-CG 3.37Å; F103-Q107 PolarHBondContact O-N 2.91Å; L104-Q107 PolarHBondContact O-N 3.33Å; D105-Q107 PolarHBondContact O-N 3.03Å; Q107-F111 VanDerWaalsContact O-CB 3.24Å; Q107-F111 WeakPolarHBondContact O-CB 2.26Å; Q107-F111 PolarHBondContact O-N 3.41Å |
| 108 | L | 97.3 | Very high | 96.3 | Very high | 73 Ų | 73 | 77.9 Ų | 77.9 | 38% | 0.382 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 175.4 | -78.4 | 164.3 | 0 | 0 | 0 | 111.9 | I90 L104 D105 R106 Q110 F111 Q112 | I90-L108 HydrophobicContact CD1-CD2 3.79Å; I90-L108 HydrophobicContact CD1-CG 3.93Å; I90-L108 HydrophobicContact CG1-CG 4.47Å; L104-L108 WeakPolarHBondContact O-CB 3.26Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 2.24Å; L104-L108 PolarHBondContact O-N 3.38Å; D105-L108 PolarHBondContact O-N 3.39Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 2.91Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 3.25Å; L108-F111 PolarHBondContact O-N 3.43Å; L108-Q112 WeakPolarHBondContact O-CB 3.28Å; L108-Q112 VanDerWaalsContact O-CG 3.3Å; L108-Q112 WeakPolarHBondContact O-CG 2.26Å; L108-Q112 PolarHBondContact O-N 3.39Å |
| 109 | V | 97.8 | Very high | 96.5 | Very high | 73 Ų | 73 | 74.6 Ų | 74.6 | 44% | 0.442 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 175 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | D105 R106 T113 | D105-V109 WeakPolarHBondContact O-CG2 3.05Å; D105-V109 PolarHBondContact O-N 2.72Å; R106-V109 PolarHBondContact O-N 2.89Å; V109-T113 WeakPolarHBondContact O-CB 3.4Å; V109-T113 PolarHBondContact O-N 2.88Å; V109-T113 PolarHBondContact O-OG1 3.46Å |
| 110 | Q | 97.1 | Very high | 96.8 | Very high | 87 Ų | 87 | 74.9 Ų | 74.9 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.4 | -171.4 | -178.7 | -1.9 | 0 | 0 | 111.9 | V82 C86 R106 L108 T113 S114 | V82-Q110 HydrophobicContact CG1-CG 4.45Å; C86-Q110 VanDerWaalsContact SG-CG 3.59Å; R106-Q110 WeakPolarHBondContact O-CB 3.45Å; R106-Q110 PolarHBondContact O-N 3.34Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 3.25Å; Q110-T113 PolarHBondContact O-N 3.35Å; Q110-S114 VanDerWaalsContact O-CB 3.29Å; Q110-S114 WeakPolarHBondContact O-CB 2.26Å; Q110-S114 PolarHBondContact O-N 3.06Å |
| 111 | F | 98.2 | Very high | 96.9 | Very high | 57 Ų | 57 | 74.1 Ų | 74.1 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58 | -51.6 | 175 | 175.7 | -88.9 | 0 | 0 | 0 | 111.4 | V83 C86 A87 I90 Q107 L108 T113 S114 I115 | V83-F111 HydrophobicContact CG1-CD2 3.85Å; V83-F111 HydrophobicContact CG1-CE2 3.47Å; V83-F111 VanDerWaalsContact CG1-CE2 3.47Å; V83-F111 HydrophobicContact CG1-CZ 4.2Å; V83-F111 WeakPolarHBondContact O-CD2 3.47Å; C86-F111 HydrophobicContact CB-CB 3.91Å; C86-F111 HydrophobicContact CB-CD2 4.31Å; A87-F111 HydrophobicContact CB-CD2 4.22Å; A87-F111 HydrophobicContact CB-CE2 4Å; I90-F111 HydrophobicContact CD1-CB 4.4Å; Q107-F111 VanDerWaalsContact O-CB 3.24Å; Q107-F111 WeakPolarHBondContact O-CB 2.26Å; Q107-F111 PolarHBondContact O-N 3.41Å; L108-F111 PolarHBondContact O-N 3.43Å; F111-T113 PolarHBondContact O-N 2.91Å; F111-S114 PolarHBondContact O-N 3.17Å; F111-I115 HydrophobicContact CD1-CG2 4.49Å; F111-I115 HydrophobicContact CE1-CD1 4.28Å; F111-I115 HydrophobicContact CE1-CG2 4.3Å; F111-I115 HydrophobicContact CZ-CD1 4.01Å; F111-I115 WeakPolarHBondContact O-CB 3.39Å; F111-I115 WeakPolarHBondContact O-CG2 3.45Å; F111-I115 PolarHBondContact O-N 2.96Å |
| 112 | Q | 97.9 | Very high | 97 | Very high | 116 Ų | 116 | 73.9 Ų | 73.9 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 178.9 | -73.9 | 173.7 | -3 | 0 | 0 | 111.9 | L108 S114 I115 S116 | L108-Q112 WeakPolarHBondContact O-CB 3.28Å; L108-Q112 VanDerWaalsContact O-CG 3.3Å; L108-Q112 WeakPolarHBondContact O-CG 2.26Å; L108-Q112 PolarHBondContact O-N 3.39Å; Q112-S114 PolarHBondContact O-N 3.14Å; Q112-I115 WeakPolarHBondContact O-CG2 3.38Å; Q112-S116 WeakPolarHBondContact O-CB 2.25Å; Q112-S116 PolarHBondContact O-N 2.66Å; Q112-S116 VanDerWaalsContact O-N 3.12Å; Q112-S116 PolarHBondContact O-OG 3.02Å |
| 113 | T | 97.7 | Very high | 96.8 | Very high | 97 Ų | 97 | 72 Ų | 72 | 60% | 0.595 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | V109 Q110 F111 R117 | V109-T113 WeakPolarHBondContact O-CB 3.4Å; V109-T113 PolarHBondContact O-N 2.88Å; V109-T113 PolarHBondContact O-OG1 3.46Å; Q110-T113 PolarHBondContact O-N 3.35Å; F111-T113 PolarHBondContact O-N 2.91Å; T113-R117 PolarHBondContact O-N 2.88Å |
| 114 | S | 96.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 70.5 Ų | 70.5 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.5 | -41.7 | -177.6 | -168.7 | 0 | 0 | 0 | 0 | 112.2 | D79 V83 Q110 F111 Q112 S116 R117 V118 | D79-S114 PolarHBondContact O-OG 2.96Å; V83-S114 WeakPolarHBondContact CG2-OG 3.46Å; Q110-S114 VanDerWaalsContact O-CB 3.29Å; Q110-S114 WeakPolarHBondContact O-CB 2.26Å; Q110-S114 PolarHBondContact O-N 3.06Å; F111-S114 PolarHBondContact O-N 3.17Å; Q112-S114 PolarHBondContact O-N 3.14Å; S114-S116 PolarHBondContact O-N 3.45Å; S114-R117 WeakPolarHBondContact O-CB 2.27Å; S114-R117 PolarHBondContact O-N 2.89Å; S114-R117 VanDerWaalsContact O-N 3.1Å; S114-V118 PolarHBondContact O-N 2.69Å |
| 115 | I | 97.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 69.9 Ų | 69.9 | 28% | 0.277 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.8 | -161.5 | 170 | 0 | 0 | 0 | 111.6 | V83 F111 Q112 R117 V118 E119 | V83-I115 HydrophobicContact CG1-CB 4.36Å; V83-I115 HydrophobicContact CG1-CD1 4.42Å; V83-I115 HydrophobicContact CG1-CG1 4.48Å; V83-I115 HydrophobicContact CG2-CB 4.06Å; F111-I115 HydrophobicContact CD1-CG2 4.49Å; F111-I115 HydrophobicContact CE1-CD1 4.28Å; F111-I115 HydrophobicContact CE1-CG2 4.3Å; F111-I115 HydrophobicContact CZ-CD1 4.01Å; F111-I115 WeakPolarHBondContact O-CB 3.39Å; F111-I115 WeakPolarHBondContact O-CG2 3.45Å; F111-I115 PolarHBondContact O-N 2.96Å; Q112-I115 WeakPolarHBondContact O-CG2 3.38Å; I115-R117 VanDerWaalsContact C-N 3.26Å; I115-R117 PolarHBondContact O-N 3.48Å; I115-V118 WeakPolarHBondContact O-CB 2.26Å; I115-V118 PolarHBondContact O-N 3.27Å; I115-V118 VanDerWaalsContact O-N 3.17Å; I115-E119 WeakPolarHBondContact O-CG 3.46Å; I115-E119 PolarHBondContact O-N 3.03Å |
| 116 | S | 97.7 | Very high | 96 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.2 | -23.9 | 173.5 | -66.7 | 0 | 0 | 0 | 0 | 113.3 | Q112 S114 N120 | Q112-S116 WeakPolarHBondContact O-CB 2.25Å; Q112-S116 PolarHBondContact O-N 2.66Å; Q112-S116 VanDerWaalsContact O-N 3.12Å; Q112-S116 PolarHBondContact O-OG 3.02Å; S114-S116 PolarHBondContact O-N 3.45Å; S116-N120 WeakPolarHBondContact O-CB 2.25Å; S116-N120 PolarHBondContact O-N 3.46Å; S116-N120 PolarHBondContact O-ND2 3.48Å |
| 117 | R | 96.6 | Very high | 95.5 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.9 | -45.8 | 169.4 | -163.8 | 166.9 | 91.4 | 88.1 | -0.4 | 111.2 | D75 D79 T113 S114 I115 E119 N120 E121 | D75-R117 PolarHBondContact O-NH2 3.47Å; D75-R117 VanDerWaalsContact O-NH2 3.11Å; D79-R117 VanDerWaalsContact CG-CZ 3.44Å; D79-R117 IonicContact OD1-CZ 2.9Å; D79-R117 IonicContact OD1-NE 3.61Å; D79-R117 PolarHBondContact OD1-NE 2.84Å; D79-R117 IonicContact OD1-NH2 2.66Å; D79-R117 PolarHBondContact OD1-NH2 2.86Å; D79-R117 IonicContact OD2-CZ 3.75Å; D79-R117 IonicContact OD2-NE 2.76Å; D79-R117 PolarHBondContact OD2-NE 3.05Å; D79-R117 IonicContact OD2-NH1 3.22Å; D79-R117 IonicContact OD2-NH2 2.84Å; D79-R117 PolarHBondContact OD2-NH2 2.7Å; T113-R117 PolarHBondContact O-N 2.88Å; S114-R117 WeakPolarHBondContact O-CB 2.27Å; S114-R117 PolarHBondContact O-N 2.89Å; S114-R117 VanDerWaalsContact O-N 3.1Å; I115-R117 VanDerWaalsContact C-N 3.26Å; I115-R117 PolarHBondContact O-N 3.48Å; R117-E119 PolarHBondContact O-N 3.16Å; R117-N120 PolarHBondContact O-N 3.44Å; R117-E121 WeakPolarHBondContact O-CB 3.38Å; R117-E121 PolarHBondContact O-N 3.29Å |
| 118 | V | 97.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 71.5 Ų | 71.5 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.5 | -51.4 | 174.3 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | V76 D79 I80 V83 S114 I115 N120 L122 | V76-V118 HydrophobicContact CG1-CG1 4.07Å; V76-V118 HydrophobicContact CG1-CG2 4.4Å; D79-V118 HydrophobicContact CB-CG2 3.4Å; I80-V118 HydrophobicContact CD1-CG1 4.17Å; I80-V118 HydrophobicContact CG1-CG1 3.9Å; I80-V118 HydrophobicContact CG1-CG2 3.79Å; V83-V118 HydrophobicContact CG2-CG2 4.45Å; S114-V118 PolarHBondContact O-N 2.69Å; I115-V118 WeakPolarHBondContact O-CB 2.26Å; I115-V118 PolarHBondContact O-N 3.27Å; I115-V118 VanDerWaalsContact O-N 3.17Å; V118-N120 PolarHBondContact O-N 3.35Å; V118-L122 WeakPolarHBondContact O-CB 3.28Å; V118-L122 PolarHBondContact O-N 2.9Å |
| 119 | E | 97.3 | Very high | 94 | Very high | 121 Ų | 121 | 72.9 Ų | 72.9 | 57% | 0.565 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.2 | -45.6 | -177.8 | -70.9 | 173.9 | 143.7 | 0 | 0 | 112.5 | I115 R117 G123 | I115-E119 WeakPolarHBondContact O-CG 3.46Å; I115-E119 PolarHBondContact O-N 3.03Å; R117-E119 PolarHBondContact O-N 3.16Å; E119-G123 WeakPolarHBondContact O-CA 3.36Å; E119-G123 PolarHBondContact O-N 3.39Å |
| 120 | N | 96.5 | Very high | 93.2 | Very high | 105 Ų | 105 | 73.1 Ų | 73.1 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.7 | -47.4 | -178.3 | -82.5 | -68.4 | 0 | 0 | 0 | 112.4 | S116 R117 V118 A124 | S116-N120 WeakPolarHBondContact O-CB 2.25Å; S116-N120 PolarHBondContact O-N 3.46Å; S116-N120 PolarHBondContact O-ND2 3.48Å; R117-N120 PolarHBondContact O-N 3.44Å; V118-N120 PolarHBondContact O-N 3.35Å; N120-A124 WeakPolarHBondContact O-CB 3.47Å; N120-A124 PolarHBondContact O-N 3.12Å |
| 121 | E | 95.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 74.2 Ų | 74.2 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.1 | -47.2 | -179.2 | -74.4 | -58.6 | 150.2 | 0 | 0 | 111.9 | V76 R117 G123 A124 Q125 | V76-E121 HydrophobicContact CG2-CB 3.52Å; V76-E121 HydrophobicContact CG2-CG 4.33Å; R117-E121 WeakPolarHBondContact O-CB 3.38Å; R117-E121 PolarHBondContact O-N 3.29Å; E121-G123 VanDerWaalsContact C-N 3.3Å; E121-G123 PolarHBondContact O-N 3.29Å; E121-A124 WeakPolarHBondContact O-CA 3.35Å; E121-A124 WeakPolarHBondContact O-CB 3.12Å; E121-A124 PolarHBondContact O-N 3.42Å; E121-Q125 WeakPolarHBondContact O-CG 3.36Å; E121-Q125 PolarHBondContact O-N 3.25Å |
| 122 | L | 95.6 | Very high | 90.7 | Very high | 70 Ų | 70 | 74.1 Ų | 74.1 | 37% | 0.366 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.5 | -174.1 | 60.5 | 0 | 0 | 0 | 110.8 | L73 V118 A124 Q125 I126 | L73-L122 HydrophobicContact CD2-CD1 4.33Å; V118-L122 WeakPolarHBondContact O-CB 3.28Å; V118-L122 PolarHBondContact O-N 2.9Å; L122-A124 VanDerWaalsContact C-N 3.3Å; L122-A124 PolarHBondContact O-N 3.19Å; L122-Q125 PolarHBondContact O-N 2.95Å; L122-I126 HydrophobicContact CG-CD1 4.06Å; L122-I126 VanDerWaalsContact O-CG1 3.31Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 3.16Å |
| 123 | G | 93.7 | Very high | 89.1 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.5 | -34 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E119 E121 R127 | E119-G123 WeakPolarHBondContact O-CA 3.36Å; E119-G123 PolarHBondContact O-N 3.39Å; E121-G123 VanDerWaalsContact C-N 3.3Å; E121-G123 PolarHBondContact O-N 3.29Å; G123-R127 WeakPolarHBondContact O-CB 3.46Å; G123-R127 VanDerWaalsContact O-CG 3.29Å; G123-R127 WeakPolarHBondContact O-CG 3.42Å; G123-R127 PolarHBondContact O-N 2.96Å; G123-R127 PolarHBondContact O-NE 3.29Å |
| 124 | A | 91.3 | Very high | 87.5 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N120 E121 L122 R127 Y128 | N120-A124 WeakPolarHBondContact O-CB 3.47Å; N120-A124 PolarHBondContact O-N 3.12Å; E121-A124 WeakPolarHBondContact O-CA 3.35Å; E121-A124 WeakPolarHBondContact O-CB 3.12Å; E121-A124 PolarHBondContact O-N 3.42Å; L122-A124 VanDerWaalsContact C-N 3.3Å; L122-A124 PolarHBondContact O-N 3.19Å; A124-R127 PolarHBondContact O-N 3.26Å; A124-Y128 WeakPolarHBondContact O-CB 3.3Å; A124-Y128 PolarHBondContact O-N 2.89Å |
| 125 | Q | 89.9 | Confident | 85.4 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175.6 | -54.6 | -45.9 | -36 | 0 | 0 | 112.1 | I72 L73 E121 L122 Y128 L129 | I72-Q125 VanDerWaalsContact CG2-NE2 3.34Å; L73-Q125 HydrophobicContact CD2-CB 4.27Å; L73-Q125 HydrophobicContact CD2-CG 3.89Å; L73-Q125 HydrophobicContact CG-CG 4.32Å; E121-Q125 WeakPolarHBondContact O-CG 3.36Å; E121-Q125 PolarHBondContact O-N 3.25Å; L122-Q125 PolarHBondContact O-N 2.95Å; Q125-Y128 PolarHBondContact O-N 2.98Å; Q125-L129 WeakPolarHBondContact O-CB 3.4Å; Q125-L129 WeakPolarHBondContact O-CG 3.49Å; Q125-L129 PolarHBondContact O-N 3.45Å |
| 126 | I | 89.3 | Confident | 82.9 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 174.6 | -69.4 | 166.5 | 0 | 0 | 0 | 110.5 | L122 Y128 L129 T130 | L122-I126 HydrophobicContact CG-CD1 4.06Å; L122-I126 VanDerWaalsContact O-CG1 3.31Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 3.16Å; I126-Y128 VanDerWaalsContact C-N 3.31Å; I126-Y128 PolarHBondContact O-N 3.26Å; I126-L129 PolarHBondContact O-N 3.36Å; I126-L129 VanDerWaalsContact O-N 3.16Å; I126-T130 PolarHBondContact O-N 3.15Å; I126-T130 PolarHBondContact O-OG1 2.87Å |
| 127 | R | 85.9 | Confident | 80.3 | Confident | 159 Ų | 159 | 79.5 Ų | 79.5 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.5 | -42.4 | 176.5 | -76.9 | 173.2 | -71.5 | -164.5 | 0.1 | 112.2 | G123 A124 T130 Q131 | G123-R127 WeakPolarHBondContact O-CB 3.46Å; G123-R127 VanDerWaalsContact O-CG 3.29Å; G123-R127 WeakPolarHBondContact O-CG 3.42Å; G123-R127 PolarHBondContact O-N 2.96Å; G123-R127 PolarHBondContact O-NE 3.29Å; A124-R127 PolarHBondContact O-N 3.26Å; R127-T130 PolarHBondContact O-N 3.43Å; R127-Q131 WeakPolarHBondContact O-CB 3.14Å; R127-Q131 PolarHBondContact O-N 3.21Å |
| 128 | Y | 83.5 | Confident | 78.1 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 28% | 0.278 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62 | -47 | 174.6 | 173.4 | -104.7 | 0 | 0 | 0 | 112.3 | R69 A124 Q125 I126 T130 Q131 V132 | R69-Y128 HydrophobicContact CG-CE1 4.3Å; A124-Y128 WeakPolarHBondContact O-CB 3.3Å; A124-Y128 PolarHBondContact O-N 2.89Å; Q125-Y128 PolarHBondContact O-N 2.98Å; I126-Y128 VanDerWaalsContact C-N 3.31Å; I126-Y128 PolarHBondContact O-N 3.26Å; Y128-T130 PolarHBondContact O-N 2.99Å; Y128-Q131 PolarHBondContact O-N 3.44Å; Y128-V132 HydrophobicContact CD2-CG1 4.35Å; Y128-V132 HydrophobicContact CE1-CG1 4.47Å; Y128-V132 HydrophobicContact CE2-CG1 3.81Å; Y128-V132 PolarHBondContact O-N 3.39Å |
| 129 | L | 81.3 | Confident | 75.6 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.9 | -74.4 | 170.9 | 0 | 0 | 0 | 111.8 | Q125 I126 Q131 V132 A133 | Q125-L129 WeakPolarHBondContact O-CB 3.4Å; Q125-L129 WeakPolarHBondContact O-CG 3.49Å; Q125-L129 PolarHBondContact O-N 3.45Å; I126-L129 PolarHBondContact O-N 3.36Å; I126-L129 VanDerWaalsContact O-N 3.16Å; L129-Q131 PolarHBondContact O-N 2.65Å; L129-V132 WeakPolarHBondContact O-CG2 3.41Å; L129-V132 PolarHBondContact O-N 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.29Å; L129-A133 PolarHBondContact O-N 3.49Å |
| 130 | T | 80.4 | Confident | 73.6 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 173.5 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | I126 R127 Y128 A133 T134 | I126-T130 PolarHBondContact O-N 3.15Å; I126-T130 PolarHBondContact O-OG1 2.87Å; R127-T130 PolarHBondContact O-N 3.43Å; Y128-T130 PolarHBondContact O-N 2.99Å; T130-A133 PolarHBondContact O-N 3.06Å; T130-T134 HydrophobicContact CG2-CG2 4.08Å; T130-T134 WeakPolarHBondContact O-CB 3.34Å; T130-T134 VanDerWaalsContact O-CG2 3.28Å; T130-T134 WeakPolarHBondContact O-CG2 3.31Å; T130-T134 PolarHBondContact O-N 3.4Å; T130-T134 PolarHBondContact O-OG1 3.49Å |
| 131 | Q | 73.3 | Confident | 71.5 | Confident | 109 Ų | 109 | 78.6 Ų | 78.6 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 179.5 | -171.7 | -178 | 9.6 | 0 | 0 | 112.2 | R127 Y128 L129 T134 Q136 | R127-Q131 WeakPolarHBondContact O-CB 3.14Å; R127-Q131 PolarHBondContact O-N 3.21Å; Y128-Q131 PolarHBondContact O-N 3.44Å; L129-Q131 PolarHBondContact O-N 2.65Å; Q131-T134 PolarHBondContact O-OG1 2.91Å; Q131-Q136 HydrophobicContact CG-CB 4.29Å |
| 132 | V | 68.9 | Low | 69.7 | Low | 56 Ų | 56 | 77.2 Ų | 77.2 | 34% | 0.339 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -77.4 | -29.8 | 179.4 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | Y128 L129 | Y128-V132 HydrophobicContact CD2-CG1 4.35Å; Y128-V132 HydrophobicContact CE1-CG1 4.47Å; Y128-V132 HydrophobicContact CE2-CG1 3.81Å; Y128-V132 PolarHBondContact O-N 3.39Å; L129-V132 WeakPolarHBondContact O-CG2 3.41Å; L129-V132 PolarHBondContact O-N 3.26Å |
| 133 | A | 65 | Low | 67.9 | Low | 85 Ų | 85 | 81.2 Ų | 81.2 | 70% | 0.702 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77.9 | -31.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L129 T130 G135 | L129-A133 WeakPolarHBondContact O-CB 3.29Å; L129-A133 PolarHBondContact O-N 3.49Å; T130-A133 PolarHBondContact O-N 3.06Å; A133-G135 PolarHBondContact O-N 3.02Å |
| 134 | T | 64.7 | Low | 66.2 | Low | 87 Ų | 87 | 82.3 Ų | 82.3 | 53% | 0.534 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 3.5 | 177.9 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | T130 Q131 Q136 | T130-T134 HydrophobicContact CG2-CG2 4.08Å; T130-T134 WeakPolarHBondContact O-CB 3.34Å; T130-T134 VanDerWaalsContact O-CG2 3.28Å; T130-T134 WeakPolarHBondContact O-CG2 3.31Å; T130-T134 PolarHBondContact O-N 3.4Å; T130-T134 PolarHBondContact O-OG1 3.49Å; Q131-T134 PolarHBondContact O-OG1 2.91Å; T134-Q136 PolarHBondContact O-N 3.36Å |
| 135 | G | 51.2 | Low | 65 | Low | 54 Ų | 54 | 83.5 Ų | 83.5 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 14.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | A133 | A133-G135 PolarHBondContact O-N 3.02Š|
| 136 | Q | 44.8 | Very low | 64.1 | Low | 112 Ų | 112 | 91.2 Ų | 91.2 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | trans | -55.2 | 135.9 | 171 | -70.2 | -65.3 | -21.1 | 0 | 0 | 109.4 | Q131 T134 H138 S141 | Q131-Q136 HydrophobicContact CG-CB 4.29Å; T134-Q136 PolarHBondContact O-N 3.36Å; Q136-H138 PolarHBondContact O-N 2.91Å; Q136-S141 WeakPolarHBondContact O-CB 3.42Å; Q136-S141 PolarHBondContact O-OG 3.15Å | ||
| 137 | P | 43.4 | Very low | 63.4 | Low | 106 Ų | 106 | 91.8 Ų | 91.8 | 69% | 0.688 | 49% | 0.491 | S | S | * | . | trans | -70.2 | 101.8 | -177.5 | 28.4 | -33.4 | 0 | 0 | 0 | 109.3 | E139 | P137-E139 PolarHBondContact O-N 3.28Š| ||
| 138 | H | 50.5 | Low | 62.8 | Low | 56 Ų | 56 | 87.2 Ų | 87.2 | 26% | 0.259 | 48% | 0.478 | S | S | . | . | trans | -64.4 | 125 | 160.1 | 48.6 | 13 | 0 | 0 | 0 | 108.1 | Q136 G140 S141 T142 Y143 S144 | Q136-H138 PolarHBondContact O-N 2.91Å; H138-G140 PolarHBondContact O-N 2.97Å; H138-S141 VanDerWaalsContact CD2-C 3.47Å; H138-S141 WeakPolarHBondContact CD2-CA 3.09Å; H138-S141 WeakPolarHBondContact CD2-CB 3.38Å; H138-S141 PolarHBondContact CD2-N 3.02Å; H138-S141 WeakPolarHBondContact CE1-CA 3.48Å; H138-S141 WeakPolarHBondContact CE1-CB 3.38Å; H138-S141 PolarHBondContact CE1-N 2.97Å; H138-S141 VanDerWaalsContact CE1-N 3.34Å; H138-S141 PolarHBondContact CE1-O 3.19Å; H138-S141 PolarHBondContact CE1-OG 2.84Å; H138-S141 VanDerWaalsContact CG-OG 3.29Å; H138-S141 PolarHBondContact N-OG 3.37Å; H138-S141 VanDerWaalsContact ND1-C 3.35Å; H138-S141 WeakPolarHBondContact ND1-CA 3.48Å; H138-S141 WeakPolarHBondContact ND1-CB 3.41Å; H138-S141 PolarHBondContact ND1-N 2.79Å; H138-S141 PolarHBondContact ND1-OG 2.87Å; H138-S141 WeakPolarHBondContact NE2-CA 3.39Å; H138-S141 WeakPolarHBondContact NE2-CB 3.49Å; H138-S141 PolarHBondContact NE2-O 2.92Å; H138-S141 PolarHBondContact NE2-OG 2.94Å; H138-S141 PolarHBondContact O-N 3.37Å; H138-T142 PolarHBondContact NE2-N 3.42Å; H138-Y143 PolarHBondContact CE1-N 3.11Å; H138-Y143 PolarHBondContact NE2-N 2.93Å; H138-S144 PolarHBondContact CE1-N 3.44Å | ||
| 139 | E | 46.7 | Very low | 62.5 | Low | 207 Ų | 207 | 86.7 Ų | 86.7 | 97% | 0.967 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 92 | 160.9 | -64.3 | -178.8 | 155.2 | 0 | 0 | 106.2 | P137 | P137-E139 PolarHBondContact O-N 3.28Š|
| 140 | G | 53.9 | Low | 62.4 | Low | 62 Ų | 62 | 86.3 Ų | 86.3 | 64% | 0.639 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.2 | 11.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | H138 T142 | H138-G140 PolarHBondContact O-N 2.97Å; G140-T142 PolarHBondContact O-N 2.76Å |
| 141 | S | 52.7 | Low | 62.5 | Low | 11 Ų | 11 | 85.9 Ų | 85.9 | 8% | 0.077 | 47% | 0.473 | C | S | . | . | trans | -67.5 | 128.9 | -179.8 | 64.5 | 0 | 0 | 0 | 0 | 104.1 | Q136 H138 Y143 S144 T145 | Q136-S141 WeakPolarHBondContact O-CB 3.42Å; Q136-S141 PolarHBondContact O-OG 3.15Å; H138-S141 VanDerWaalsContact CD2-C 3.47Å; H138-S141 WeakPolarHBondContact CD2-CA 3.09Å; H138-S141 WeakPolarHBondContact CD2-CB 3.38Å; H138-S141 PolarHBondContact CD2-N 3.02Å; H138-S141 WeakPolarHBondContact CE1-CA 3.48Å; H138-S141 WeakPolarHBondContact CE1-CB 3.38Å; H138-S141 PolarHBondContact CE1-N 2.97Å; H138-S141 VanDerWaalsContact CE1-N 3.34Å; H138-S141 PolarHBondContact CE1-O 3.19Å; H138-S141 PolarHBondContact CE1-OG 2.84Å; H138-S141 VanDerWaalsContact CG-OG 3.29Å; H138-S141 PolarHBondContact N-OG 3.37Å; H138-S141 VanDerWaalsContact ND1-C 3.35Å; H138-S141 WeakPolarHBondContact ND1-CA 3.48Å; H138-S141 WeakPolarHBondContact ND1-CB 3.41Å; H138-S141 PolarHBondContact ND1-N 2.79Å; H138-S141 PolarHBondContact ND1-OG 2.87Å; H138-S141 WeakPolarHBondContact NE2-CA 3.39Å; H138-S141 WeakPolarHBondContact NE2-CB 3.49Å; H138-S141 PolarHBondContact NE2-O 2.92Å; H138-S141 PolarHBondContact NE2-OG 2.94Å; H138-S141 PolarHBondContact O-N 3.37Å; S141-Y143 PolarHBondContact O-N 3.35Å; S141-S144 WeakPolarHBondContact O-CB 3.45Å; S141-S144 PolarHBondContact O-N 2.91Å; S141-T145 PolarHBondContact O-N 2.95Å | ||
| 142 | T | 58.3 | Low | 62.9 | Low | 40 Ų | 40 | 84 Ų | 84 | 25% | 0.245 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -39.5 | -39.2 | 163.9 | -51.9 | 0 | 0 | 0 | 0 | 113.8 | L62 H138 G140 S144 R146 | L62-T142 HydrophobicContact CD1-CG2 3.46Å; L62-T142 VanDerWaalsContact CD1-CG2 3.46Å; L62-T142 WeakPolarHBondContact CD1-OG1 3.42Å; L62-T142 WeakPolarHBondContact CD2-OG1 3.44Å; H138-T142 PolarHBondContact NE2-N 3.42Å; G140-T142 PolarHBondContact O-N 2.76Å; T142-S144 VanDerWaalsContact C-N 3.35Å; T142-R146 WeakPolarHBondContact O-CB 3.45Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-N 2.9Å |
| 143 | Y | 58.3 | Low | 63.5 | Low | 153 Ų | 153 | 85.5 Ų | 85.5 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.8 | -34.5 | -178.1 | 179.7 | -109.7 | 0 | 0 | 0 | 111.9 | H138 S141 K147 | H138-Y143 PolarHBondContact CE1-N 3.11Å; H138-Y143 PolarHBondContact NE2-N 2.93Å; S141-Y143 PolarHBondContact O-N 3.35Å; Y143-K147 WeakPolarHBondContact O-CB 3.36Å; Y143-K147 PolarHBondContact O-N 2.92Å |
| 144 | S | 56.8 | Low | 64.4 | Low | 46 Ų | 46 | 86 Ų | 86 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.1 | -55.6 | 173.3 | -156.5 | 0 | 0 | 0 | 0 | 108.9 | H138 S141 T142 R146 K147 D148 | H138-S144 PolarHBondContact CE1-N 3.44Å; S141-S144 WeakPolarHBondContact O-CB 3.45Å; S141-S144 PolarHBondContact O-N 2.91Å; T142-S144 VanDerWaalsContact C-N 3.35Å; S144-R146 PolarHBondContact O-N 3.38Å; S144-K147 CarbonylContact O-C 3.53Å; S144-K147 WeakPolarHBondContact O-CA 3.47Å; S144-K147 WeakPolarHBondContact O-CB 3.42Å; S144-K147 PolarHBondContact O-N 3.46Å; S144-D148 WeakPolarHBondContact O-CB 3.37Å; S144-D148 PolarHBondContact O-N 3.45Å; S144-D148 PolarHBondContact OG-OD2 2.95Å |
| 145 | T | 66.8 | Low | 65.5 | Low | 56 Ų | 56 | 90.5 Ų | 90.5 | 34% | 0.344 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.3 | -37.6 | -179.3 | -44.3 | 0 | 0 | 0 | 0 | 113 | F55 S141 C149 | F55-T145 HydrophobicContact CE1-CG2 4.22Å; F55-T145 HydrophobicContact CZ-CG2 4.1Å; S141-T145 PolarHBondContact O-N 2.95Å; T145-C149 WeakPolarHBondContact O-CB 3.27Å; T145-C149 PolarHBondContact O-N 3.44Å |
| 146 | R | 71.4 | Confident | 67.2 | Low | 172 Ų | 172 | 90.6 Ų | 90.6 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71 | -44.1 | 172.7 | -75 | -166.8 | -68.7 | -174.4 | -3.5 | 113.3 | T142 S144 C149 Q150 | T142-R146 WeakPolarHBondContact O-CB 3.45Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-N 2.9Å; S144-R146 PolarHBondContact O-N 3.38Å; R146-C149 PolarHBondContact O-N 3.39Å; R146-Q150 WeakPolarHBondContact O-CB 3.5Å; R146-Q150 PolarHBondContact O-N 3.48Å |
| 147 | K | 74.6 | Confident | 69.2 | Low | 104 Ų | 104 | 89.3 Ų | 89.3 | 45% | 0.452 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.2 | -178.1 | -155.8 | 173.5 | -166.4 | 0 | 111.5 | Y143 S144 Q150 M151 | Y143-K147 WeakPolarHBondContact O-CB 3.36Å; Y143-K147 PolarHBondContact O-N 2.92Å; S144-K147 CarbonylContact O-C 3.53Å; S144-K147 WeakPolarHBondContact O-CA 3.47Å; S144-K147 WeakPolarHBondContact O-CB 3.42Å; S144-K147 PolarHBondContact O-N 3.46Å; K147-Q150 PolarHBondContact O-N 2.84Å; K147-M151 HydrophobicContact CD-CE 4.16Å; K147-M151 HydrophobicContact CG-CE 4.11Å; K147-M151 HydrophobicContact CG-SD 4.42Å; K147-M151 WeakPolarHBondContact O-CB 3.42Å; K147-M151 WeakPolarHBondContact O-CG 3.49Å; K147-M151 PolarHBondContact O-N 3.36Å |
| 148 | D | 72.3 | Confident | 71.3 | Confident | 63 Ų | 63 | 91.5 Ų | 91.5 | 34% | 0.337 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | -177.9 | -58.4 | -36.8 | 0 | 0 | 0 | 110.8 | S144 M151 S152 | S144-D148 WeakPolarHBondContact O-CB 3.37Å; S144-D148 PolarHBondContact O-N 3.45Å; S144-D148 PolarHBondContact OG-OD2 2.95Å; D148-M151 HydrophobicContact CB-CE 4.47Å; D148-M151 WeakPolarHBondContact OD1-CE 3.45Å; D148-S152 WeakPolarHBondContact O-CB 3.29Å; D148-S152 PolarHBondContact O-N 2.93Å; D148-S152 PolarHBondContact O-OG 2.9Å |
| 149 | C | 76.9 | Confident | 73.4 | Confident | 60 Ų | 60 | 91.1 Ų | 91.1 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 167.3 | -175 | 0 | 0 | 0 | 0 | 111.9 | T145 R146 S152 L153 | T145-C149 WeakPolarHBondContact O-CB 3.27Å; T145-C149 PolarHBondContact O-N 3.44Å; R146-C149 PolarHBondContact O-N 3.39Å; C149-S152 WeakPolarHBondContact O-CB 3.44Å; C149-S152 PolarHBondContact O-N 3.4Å; C149-L153 PolarHBondContact O-N 2.83Å |
| 150 | Q | 79.8 | Confident | 75.6 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 44% | 0.444 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 178.4 | -172.7 | 65.2 | 59.7 | 0 | 0 | 112.4 | R146 K147 S152 L153 N154 | R146-Q150 WeakPolarHBondContact O-CB 3.5Å; R146-Q150 PolarHBondContact O-N 3.48Å; K147-Q150 PolarHBondContact O-N 2.84Å; Q150-S152 VanDerWaalsContact C-N 3.29Å; Q150-S152 PolarHBondContact O-N 3.22Å; Q150-L153 PolarHBondContact O-N 3.23Å; Q150-N154 PolarHBondContact NE2-OD1 3.49Å; Q150-N154 WeakPolarHBondContact O-CB 3.44Å; Q150-N154 PolarHBondContact O-N 3.29Å; Q150-N154 PolarHBondContact O-OD1 2.87Å; Q150-N154 VanDerWaalsContact O-OD1 3.05Å |
| 151 | M | 82.5 | Confident | 77.5 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 35% | 0.345 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 174.1 | -71.5 | -172.6 | -58.8 | 0 | 0 | 111.5 | K147 D148 R155 | K147-M151 HydrophobicContact CD-CE 4.16Å; K147-M151 HydrophobicContact CG-CE 4.11Å; K147-M151 HydrophobicContact CG-SD 4.42Å; K147-M151 WeakPolarHBondContact O-CB 3.42Å; K147-M151 WeakPolarHBondContact O-CG 3.49Å; K147-M151 PolarHBondContact O-N 3.36Å; D148-M151 HydrophobicContact CB-CE 4.47Å; D148-M151 WeakPolarHBondContact OD1-CE 3.45Å; M151-R155 WeakPolarHBondContact O-CB 3.29Å; M151-R155 VanDerWaalsContact O-CG 3.27Å; M151-R155 WeakPolarHBondContact O-CG 3.45Å; M151-R155 PolarHBondContact O-N 3.05Å |
| 152 | S | 81.7 | Confident | 79.5 | Confident | 68 Ų | 68 | 91.1 Ų | 91.1 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 175 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | D148 C149 Q150 R155 A156 | D148-S152 WeakPolarHBondContact O-CB 3.29Å; D148-S152 PolarHBondContact O-N 2.93Å; D148-S152 PolarHBondContact O-OG 2.9Å; C149-S152 WeakPolarHBondContact O-CB 3.44Å; C149-S152 PolarHBondContact O-N 3.4Å; Q150-S152 VanDerWaalsContact C-N 3.29Å; Q150-S152 PolarHBondContact O-N 3.22Å; S152-R155 PolarHBondContact O-N 3.1Å; S152-A156 WeakPolarHBondContact O-CB 3.43Å; S152-A156 PolarHBondContact O-N 3.04Å |
| 153 | L | 81.7 | Confident | 81.2 | Confident | 89 Ų | 89 | 95 Ų | 95 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 174.3 | -179.1 | 61.1 | 0 | 0 | 0 | 111.7 | C149 Q150 R155 A156 E157 | C149-L153 PolarHBondContact O-N 2.83Å; Q150-L153 PolarHBondContact O-N 3.23Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.17Å; L153-A156 PolarHBondContact O-N 3.43Å; L153-A156 VanDerWaalsContact O-N 3.12Å; L153-E157 HydrophobicContact CD1-CG 4.5Å; L153-E157 PolarHBondContact O-N 3.32Å |
| 154 | N | 83.3 | Confident | 83 | Confident | 94 Ų | 94 | 89.1 Ų | 89.1 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 176.7 | -67.8 | 8.7 | 0 | 0 | 0 | 111.6 | Q150 Y158 | Q150-N154 PolarHBondContact NE2-OD1 3.49Å; Q150-N154 WeakPolarHBondContact O-CB 3.44Å; Q150-N154 PolarHBondContact O-N 3.29Å; Q150-N154 PolarHBondContact O-OD1 2.87Å; Q150-N154 VanDerWaalsContact O-OD1 3.05Å; N154-Y158 WeakPolarHBondContact O-CB 3.42Å; N154-Y158 PolarHBondContact O-N 3.22Å |
| 155 | R | 88 | Confident | 84.8 | Confident | 183 Ų | 183 | 90.3 Ų | 90.3 | 69% | 0.691 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.2 | -40.9 | 173.7 | -74.4 | 169 | 177.2 | 176.8 | -1.1 | 112.3 | M151 S152 L153 Y158 A159 | M151-R155 WeakPolarHBondContact O-CB 3.29Å; M151-R155 VanDerWaalsContact O-CG 3.27Å; M151-R155 WeakPolarHBondContact O-CG 3.45Å; M151-R155 PolarHBondContact O-N 3.05Å; S152-R155 PolarHBondContact O-N 3.1Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.17Å; R155-Y158 PolarHBondContact O-N 2.79Å; R155-A159 WeakPolarHBondContact O-CB 3.38Å; R155-A159 PolarHBondContact O-N 3.18Å |
| 156 | A | 87.6 | Confident | 86.1 | Confident | 56 Ų | 56 | 92.4 Ų | 92.4 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S152 L153 A159 K160 | S152-A156 WeakPolarHBondContact O-CB 3.43Å; S152-A156 PolarHBondContact O-N 3.04Å; L153-A156 PolarHBondContact O-N 3.43Å; L153-A156 VanDerWaalsContact O-N 3.12Å; A156-A159 PolarHBondContact O-N 3.39Å; A156-K160 WeakPolarHBondContact O-CB 3.43Å; A156-K160 PolarHBondContact O-N 3.06Å |
| 157 | E | 87.1 | Confident | 87.3 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 40% | 0.397 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 174.7 | -75.5 | -64 | 146 | 0 | 0 | 111.9 | L153 K160 V161 | L153-E157 HydrophobicContact CD1-CG 4.5Å; L153-E157 PolarHBondContact O-N 3.32Å; E157-K160 WeakPolarHBondContact O-CB 3.46Å; E157-K160 PolarHBondContact O-N 3.49Å; E157-K160 IonicContact OE1-NZ 2.76Å; E157-K160 PolarHBondContact OE1-NZ 3.47Å; E157-K160 IonicContact OE2-NZ 2.67Å; E157-K160 PolarHBondContact OE2-NZ 3.36Å; E157-V161 WeakPolarHBondContact O-CG2 3.33Å; E157-V161 PolarHBondContact O-N 2.98Å |
| 158 | Y | 87.3 | Confident | 88.2 | Confident | 151 Ų | 151 | 87.8 Ų | 87.8 | 59% | 0.592 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 172.8 | -179.1 | -100.3 | 0 | 0 | 0 | 112.5 | N154 R155 K160 V161 K162 | N154-Y158 WeakPolarHBondContact O-CB 3.42Å; N154-Y158 PolarHBondContact O-N 3.22Å; R155-Y158 PolarHBondContact O-N 2.79Å; Y158-K160 VanDerWaalsContact C-N 3.35Å; Y158-K160 PolarHBondContact O-N 3.26Å; Y158-V161 PolarHBondContact O-N 2.94Å; Y158-K162 HydrophobicContact CD1-CG 4.44Å; Y158-K162 HydrophobicContact CE1-CG 3.92Å; Y158-K162 HydrophobicContact CE2-CG 4.27Å; Y158-K162 PolarHBondContact O-N 3.24Å; Y158-K162 VanDerWaalsContact OH-CE 3.3Å; Y158-K162 WeakPolarHBondContact OH-CE 3.38Å |
| 159 | A | 94.9 | Very high | 89.3 | Confident | 48 Ų | 48 | 88.5 Ų | 88.5 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R155 A156 K162 L163 | R155-A159 WeakPolarHBondContact O-CB 3.38Å; R155-A159 PolarHBondContact O-N 3.18Å; A156-A159 PolarHBondContact O-N 3.39Å; A159-K162 PolarHBondContact O-N 3.49Å; A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 WeakPolarHBondContact O-CG 3.3Å; A159-L163 PolarHBondContact O-N 2.97Å |
| 160 | K | 92.2 | Very high | 90 | Very high | 123 Ų | 123 | 88.6 Ų | 88.6 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.6 | 170.4 | -178.9 | 159.6 | -143.6 | 0 | 112.5 | A156 E157 Y158 G164 | A156-K160 WeakPolarHBondContact O-CB 3.43Å; A156-K160 PolarHBondContact O-N 3.06Å; E157-K160 WeakPolarHBondContact O-CB 3.46Å; E157-K160 PolarHBondContact O-N 3.49Å; E157-K160 IonicContact OE1-NZ 2.76Å; E157-K160 PolarHBondContact OE1-NZ 3.47Å; E157-K160 IonicContact OE2-NZ 2.67Å; E157-K160 PolarHBondContact OE2-NZ 3.36Å; Y158-K160 VanDerWaalsContact C-N 3.35Å; Y158-K160 PolarHBondContact O-N 3.26Å; K160-G164 PolarHBondContact O-N 3.01Å |
| 161 | V | 94 | Very high | 90.7 | Very high | 77 Ų | 77 | 89.6 Ų | 89.6 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 172.6 | 170.2 | 0 | 0 | 0 | 0 | 111 | E157 Y158 G164 E165 | E157-V161 WeakPolarHBondContact O-CG2 3.33Å; E157-V161 PolarHBondContact O-N 2.98Å; Y158-V161 PolarHBondContact O-N 2.94Å; V161-G164 PolarHBondContact O-N 3.24Å; V161-E165 PolarHBondContact O-N 3.29Å |
| 162 | K | 94.1 | Very high | 91.1 | Very high | 81 Ų | 81 | 88 Ų | 88 | 35% | 0.352 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.4 | -33.4 | 179.6 | -67.4 | -46.3 | -170.4 | -171.5 | 0 | 114.3 | Y158 A159 E165 L166 | Y158-K162 HydrophobicContact CD1-CG 4.44Å; Y158-K162 HydrophobicContact CE1-CG 3.92Å; Y158-K162 HydrophobicContact CE2-CG 4.27Å; Y158-K162 PolarHBondContact O-N 3.24Å; Y158-K162 VanDerWaalsContact OH-CE 3.3Å; Y158-K162 WeakPolarHBondContact OH-CE 3.38Å; A159-K162 PolarHBondContact O-N 3.49Å; K162-E165 WeakPolarHBondContact CD-OE1 3.4Å; K162-E165 WeakPolarHBondContact CD-OE2 3.25Å; K162-E165 WeakPolarHBondContact CE-OE2 3.24Å; K162-E165 IonicContact NZ-OE1 2.87Å; K162-E165 PolarHBondContact NZ-OE1 3.45Å; K162-E165 IonicContact NZ-OE2 2.91Å; K162-E165 PolarHBondContact NZ-OE2 2.97Å; K162-E165 PolarHBondContact O-N 3.48Å; K162-L166 WeakPolarHBondContact O-CB 3.47Å; K162-L166 PolarHBondContact O-N 2.66Å |
| 163 | L | 94.7 | Very high | 91.5 | Very high | 121 Ų | 121 | 90 Ų | 90 | 63% | 0.634 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 169.8 | -71.5 | 169.5 | 0 | 0 | 0 | 111.7 | A159 L166 G167 | A159-L163 WeakPolarHBondContact O-CB 3.4Å; A159-L163 WeakPolarHBondContact O-CG 3.3Å; A159-L163 PolarHBondContact O-N 2.97Å; L163-L166 PolarHBondContact O-N 2.88Å; L163-G167 PolarHBondContact O-N 2.87Å |
| 164 | G | 94.6 | Very high | 91.9 | Very high | 30 Ų | 30 | 90.7 Ų | 90.7 | 31% | 0.309 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K160 V161 R168 | K160-G164 PolarHBondContact O-N 3.01Å; V161-G164 PolarHBondContact O-N 3.24Å; G164-R168 VanDerWaalsContact O-CZ 3.29Å; G164-R168 PolarHBondContact O-NH1 2.99Å |
| 165 | E | 95.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 92 Ų | 92 | 33% | 0.327 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 168.7 | -73.2 | 171.7 | -151.9 | 0 | 0 | 111.4 | V161 K162 G167 R168 T169 | V161-E165 PolarHBondContact O-N 3.29Å; K162-E165 WeakPolarHBondContact CD-OE1 3.4Å; K162-E165 WeakPolarHBondContact CD-OE2 3.25Å; K162-E165 WeakPolarHBondContact CE-OE2 3.24Å; K162-E165 IonicContact NZ-OE1 2.87Å; K162-E165 PolarHBondContact NZ-OE1 3.45Å; K162-E165 IonicContact NZ-OE2 2.91Å; K162-E165 PolarHBondContact NZ-OE2 2.97Å; K162-E165 PolarHBondContact O-N 3.48Å; E165-G167 PolarHBondContact O-N 3.32Å; E165-R168 PolarHBondContact O-N 2.95Å; E165-T169 PolarHBondContact O-N 3.48Å; E165-T169 PolarHBondContact O-OG1 3.03Å |
| 166 | L | 94.8 | Very high | 91.9 | Very high | 100 Ų | 100 | 88.7 Ų | 88.7 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | -179.1 | -177.4 | 61.6 | 0 | 0 | 0 | 112.5 | K162 L163 R168 T169 C170 | K162-L166 WeakPolarHBondContact O-CB 3.47Å; K162-L166 PolarHBondContact O-N 2.66Å; L163-L166 PolarHBondContact O-N 2.88Å; L166-R168 PolarHBondContact O-N 2.96Å; L166-T169 WeakPolarHBondContact O-CB 3.46Å; L166-T169 PolarHBondContact O-N 2.73Å; L166-T169 VanDerWaalsContact O-N 3.15Å; L166-C170 PolarHBondContact O-N 3.32Å; L166-C170 PolarHBondContact O-SG 3.12Å |
| 167 | G | 95.1 | Very high | 91.3 | Very high | 29 Ų | 29 | 91.4 Ų | 91.4 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.6 | -49 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L163 E165 T169 C170 E171 | L163-G167 PolarHBondContact O-N 2.87Å; E165-G167 PolarHBondContact O-N 3.32Å; G167-T169 VanDerWaalsContact C-N 3.29Å; G167-T169 PolarHBondContact O-N 2.95Å; G167-C170 WeakPolarHBondContact O-CB 3.42Å; G167-C170 PolarHBondContact O-N 3.46Å; G167-C170 VanDerWaalsContact O-N 3.11Å; G167-E171 WeakPolarHBondContact O-CG 3.31Å; G167-E171 PolarHBondContact O-N 3.39Å |
| 168 | R | 94.9 | Very high | 90.8 | Very high | 151 Ų | 151 | 94.2 Ų | 94.2 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.8 | -35.2 | 176.8 | -67.7 | -172.3 | -59.7 | -87.7 | 2.6 | 113.1 | G164 E165 L166 E171 A172 | G164-R168 VanDerWaalsContact O-CZ 3.29Å; G164-R168 PolarHBondContact O-NH1 2.99Å; E165-R168 PolarHBondContact O-N 2.95Å; L166-R168 PolarHBondContact O-N 2.96Å; R168-E171 WeakPolarHBondContact CA-OE2 3.38Å; R168-A172 WeakPolarHBondContact O-CB 3.3Å; R168-A172 PolarHBondContact O-N 3.47Å |
| 169 | T | 94 | Very high | 90 | Very high | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 174.2 | -56 | 0 | 0 | 0 | 0 | 111.3 | E165 L166 G167 A172 M173 | E165-T169 PolarHBondContact O-N 3.48Å; E165-T169 PolarHBondContact O-OG1 3.03Å; L166-T169 WeakPolarHBondContact O-CB 3.46Å; L166-T169 PolarHBondContact O-N 2.73Å; L166-T169 VanDerWaalsContact O-N 3.15Å; G167-T169 VanDerWaalsContact C-N 3.29Å; G167-T169 PolarHBondContact O-N 2.95Å; T169-A172 PolarHBondContact O-N 3.22Å; T169-M173 HydrophobicContact CG2-SD 4.22Å; T169-M173 VanDerWaalsContact O-CG 3.28Å; T169-M173 WeakPolarHBondContact O-CG 3.34Å; T169-M173 PolarHBondContact O-N 3.01Å |
| 170 | C | 92.7 | Very high | 88.6 | Confident | 62 Ų | 62 | 99 Ų | 99 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.9 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | L166 G167 M173 L174 | L166-C170 PolarHBondContact O-N 3.32Å; L166-C170 PolarHBondContact O-SG 3.12Å; G167-C170 WeakPolarHBondContact O-CB 3.42Å; G167-C170 PolarHBondContact O-N 3.46Å; G167-C170 VanDerWaalsContact O-N 3.11Å; C170-M173 PolarHBondContact O-N 3.44Å; C170-L174 WeakPolarHBondContact O-CG 3.32Å; C170-L174 PolarHBondContact O-N 3.09Å; C170-L174 VanDerWaalsContact O-N 3.08Å |
| 171 | E | 93.9 | Very high | 86.9 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58 | -53.1 | 174 | -71.3 | 161.2 | 174.8 | 0 | 0 | 110.8 | G167 R168 M173 L174 E175 | G167-E171 WeakPolarHBondContact O-CG 3.31Å; G167-E171 PolarHBondContact O-N 3.39Å; R168-E171 WeakPolarHBondContact CA-OE2 3.38Å; E171-M173 VanDerWaalsContact C-N 3.31Å; E171-M173 PolarHBondContact O-N 3.25Å; E171-L174 WeakPolarHBondContact O-CB 3.37Å; E171-L174 PolarHBondContact O-N 2.84Å; E171-L174 VanDerWaalsContact O-N 3.1Å; E171-E175 PolarHBondContact O-N 3.47Å |
| 172 | A | 92 | Very high | 84.8 | Confident | 38 Ų | 38 | 107.3 Ų | 107.3 | 31% | 0.314 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.7 | -34.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R168 T169 Q176 | R168-A172 WeakPolarHBondContact O-CB 3.3Å; R168-A172 PolarHBondContact O-N 3.47Å; T169-A172 PolarHBondContact O-N 3.22Å; A172-Q176 VanDerWaalsContact O-CG 3.28Å; A172-Q176 WeakPolarHBondContact O-CG 3.42Å; A172-Q176 PolarHBondContact O-N 2.78Å; A172-Q176 VanDerWaalsContact O-N 3.1Å |
| 173 | M | 89.8 | Confident | 84.4 | Confident | 108 Ų | 108 | 108.6 Ų | 108.6 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.4 | -33.8 | 175.1 | -73.8 | 179 | 71.7 | 0 | 0 | 112.7 | T169 C170 E171 Q177 | T169-M173 HydrophobicContact CG2-SD 4.22Å; T169-M173 VanDerWaalsContact O-CG 3.28Å; T169-M173 WeakPolarHBondContact O-CG 3.34Å; T169-M173 PolarHBondContact O-N 3.01Å; C170-M173 PolarHBondContact O-N 3.44Å; E171-M173 VanDerWaalsContact C-N 3.31Å; E171-M173 PolarHBondContact O-N 3.25Å; M173-Q177 WeakPolarHBondContact O-CG 3.42Å; M173-Q177 PolarHBondContact O-N 3.13Å; M173-Q177 VanDerWaalsContact O-N 3.11Å |
| 174 | L | 89 | Confident | 83.8 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.6 | -41.6 | 175.7 | -72.8 | 163.6 | 0 | 0 | 0 | 111.5 | C170 E171 Q176 Q177 Q178 | C170-L174 WeakPolarHBondContact O-CG 3.32Å; C170-L174 PolarHBondContact O-N 3.09Å; C170-L174 VanDerWaalsContact O-N 3.08Å; E171-L174 WeakPolarHBondContact O-CB 3.37Å; E171-L174 PolarHBondContact O-N 2.84Å; E171-L174 VanDerWaalsContact O-N 3.1Å; L174-Q176 PolarHBondContact O-N 3.23Å; L174-Q177 PolarHBondContact O-N 3.48Å; L174-Q178 PolarHBondContact O-N 3.23Å; L174-Q178 VanDerWaalsContact O-N 3.12Å |
| 175 | E | 88.4 | Confident | 83.2 | Confident | 121 Ų | 121 | 112.3 Ų | 112.3 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.9 | -44.5 | 173.8 | -68.9 | 177.8 | 167.2 | 0 | 0 | 111.6 | E171 Q177 Q178 Q179 | E171-E175 PolarHBondContact O-N 3.47Å; E175-Q177 PolarHBondContact O-N 3.25Å; E175-Q178 PolarHBondContact O-N 3.5Å; E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 3.39Å; E175-Q179 VanDerWaalsContact O-N 3.11Å |
| 176 | Q | 82.9 | Confident | 82.5 | Confident | 114 Ų | 114 | 114.8 Ų | 114.8 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.2 | -37.2 | 176.3 | -74.2 | 174 | 11.5 | 0 | 0 | 113 | A172 L174 Q179 Q180 | A172-Q176 VanDerWaalsContact O-CG 3.28Å; A172-Q176 WeakPolarHBondContact O-CG 3.42Å; A172-Q176 PolarHBondContact O-N 2.78Å; A172-Q176 VanDerWaalsContact O-N 3.1Å; L174-Q176 PolarHBondContact O-N 3.23Å; Q176-Q179 PolarHBondContact O-N 3Å; Q176-Q180 WeakPolarHBondContact O-CG 3.24Å; Q176-Q180 PolarHBondContact O-N 3.46Å |
| 177 | Q | 76.6 | Confident | 81.8 | Confident | 113 Ų | 113 | 115.7 Ų | 115.7 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.2 | -35.8 | 176 | -78.7 | -172.6 | -8.3 | 0 | 0 | 112.9 | M173 L174 E175 Q180 | M173-Q177 WeakPolarHBondContact O-CG 3.42Å; M173-Q177 PolarHBondContact O-N 3.13Å; M173-Q177 VanDerWaalsContact O-N 3.11Å; L174-Q177 PolarHBondContact O-N 3.48Å; E175-Q177 PolarHBondContact O-N 3.25Å; Q177-Q180 PolarHBondContact O-N 3.42Å |
| 178 | Q | 74.6 | Confident | 80.9 | Confident | 143 Ų | 143 | 121.5 Ų | 121.5 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.4 | -38 | 174.8 | -70.6 | -176.4 | -0.3 | 0 | 0 | 111.9 | L174 E175 Q180 Q181 | L174-Q178 PolarHBondContact O-N 3.23Å; L174-Q178 VanDerWaalsContact O-N 3.12Å; E175-Q178 PolarHBondContact O-N 3.5Å; Q178-Q180 PolarHBondContact O-N 3.27Å; Q178-Q181 PolarHBondContact O-N 2.92Å |
| 179 | Q | 70.8 | Confident | 79.9 | Confident | 143 Ų | 143 | 119.4 Ų | 119.4 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -8.9 | 177.5 | -68.8 | 171.8 | 6.5 | 0 | 0 | 114.2 | E175 Q176 | E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 3.39Å; E175-Q179 VanDerWaalsContact O-N 3.11Å; Q176-Q179 PolarHBondContact O-N 3Å |
| 180 | Q | 66.4 | Low | 78.8 | Confident | 158 Ų | 158 | 122.6 Ų | 122.6 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 5 | 174.5 | -71.6 | 177.7 | 2.3 | 0 | 0 | 113.5 | Q176 Q177 Q178 | Q176-Q180 WeakPolarHBondContact O-CG 3.24Å; Q176-Q180 PolarHBondContact O-N 3.46Å; Q177-Q180 PolarHBondContact O-N 3.42Å; Q178-Q180 PolarHBondContact O-N 3.27Å |
| 181 | Q | 56.3 | Low | 77.6 | Confident | 165 Ų | 165 | 127.7 Ų | 127.7 | 77% | 0.771 | 62% | 0.623 | S | S | * | * | trans | -116.8 | 21.1 | 179.5 | -63.7 | -178.4 | 25.8 | 0 | 0 | 112.7 | Q178 | Q178-Q181 PolarHBondContact O-N 2.92Š| ||
| 182 | I | 50.7 | Low | 76.1 | Confident | 208 Ų | 208 | 128.7 Ų | 128.7 | 100% | 1.067 | 63% | 0.63 | S | S | * | * | trans | -129.8 | 0 | 178.6 | -53.9 | 178.2 | 0 | 0 | 0 | 108.3 |
Retrieved 182 of 182 residues in 29.4 ms
(Link to these results)