| 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 | 29.2 | Very low | 26.9 | Very low | 240 Ų | 240 | 146.6 Ų | 146.6 | 100% | 1.182 | 81% | 0.81 | S | S | * | * | 0 | 128.9 | 0 | -86.4 | -170.3 | 154 | 0 | 0 | 107.4 | |||||
| 2 | S | 27.4 | Very low | 26.8 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 71.1 | 109.7 | 171.6 | -52.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | S | 24.5 | Very low | 26.9 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | 66.1 | 134.7 | 77 | -92.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 4 | D | 28.4 | Very low | 27 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 68% | 0.679 | 81% | 0.81 | S | S | * | * | cis | -170.3 | 150 | 4.5 | -95 | -41.4 | 0 | 0 | 0 | 104.3 | ||||
| 5 | L | 27.4 | Very low | 27.4 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -166.3 | 78.4 | 144.2 | -101.1 | 165.3 | 0 | 0 | 0 | 107.3 | ||||
| 6 | L | 24.7 | Very low | 27.6 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 139.4 | 146.8 | -89.4 | 161.1 | 0 | 0 | 0 | 107.7 | ||||
| 7 | V | 30.8 | Very low | 27.7 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | -168.6 | 114.4 | 120.9 | 165.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 8 | D | 25.9 | Very low | 28 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | 54.9 | 109.9 | 140.7 | -55.4 | -17.9 | 0 | 0 | 0 | 121.4 | ||||
| 9 | L | 25.1 | Very low | 28.4 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 98% | 0.979 | 80% | 0.802 | S | S | * | * | -146.9 | 87.6 | 120 | -96.9 | 159.4 | 0 | 0 | 0 | 107.4 | |||||
| 10 | N | 24.7 | Very low | 28.6 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | trans | -102.9 | 123.1 | 162.7 | -164.8 | 77.8 | 0 | 0 | 0 | 106.9 | ||||
| 11 | D | 27.4 | Very low | 29 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | 162.9 | 91.3 | 141.8 | -83.7 | -6.9 | 0 | 0 | 0 | 108.3 | ||||
| 12 | D | 26.7 | Very low | 29.1 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | -175.9 | 87 | 117.9 | -148 | 2.3 | 0 | 0 | 0 | 109.1 | |||||
| 13 | L | 27.9 | Very low | 29.3 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -111 | 90.4 | 169.4 | -79.9 | 172.5 | 0 | 0 | 0 | 108.5 | V15 | L13-V15 PolarHBondContact O-N 2.73Š| ||
| 14 | G | 27.2 | Very low | 29.6 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | -71 | 110.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 15 | V | 34.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -77.6 | 131.6 | 171 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | L13 | L13-V15 PolarHBondContact O-N 2.73Š| ||
| 16 | D | 29.5 | Very low | 29.7 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 133.1 | 100.8 | 152.1 | -75.2 | -32.2 | 0 | 0 | 0 | 113.4 | ||||
| 17 | D | 30.6 | Very low | 29.9 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -166.3 | 122 | 140.7 | -104.9 | -22.5 | 0 | 0 | 0 | 111.5 | ||||
| 18 | P | 33 | Very low | 29.9 | Very low | 99 Ų | 99 | 140 Ų | 140 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -81.9 | 158.8 | 170 | 8 | 7.2 | 0 | 0 | 0 | 112.3 | S20 | P18-S20 PolarHBondContact O-N 3.15Š| ||
| 19 | P | 34.6 | Very low | 30.1 | Very low | 140 Ų | 140 | 139 Ų | 139 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -80.2 | 80.9 | -173.7 | 33.9 | -33.9 | 0 | 0 | 0 | 111 | ||
| 20 | S | 33.7 | Very low | 30.3 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | trans | -112 | -5.7 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | P18 | P18-S20 PolarHBondContact O-N 3.15Š| ||
| 21 | N | 35.2 | Very low | 30.6 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 11.9 | -170.5 | -76.9 | -7.4 | 0 | 0 | 0 | 116.4 | ||
| 22 | A | 31.8 | Very low | 30.8 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -4.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 23 | L | 31.3 | Very low | 31.1 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -104.1 | -9.9 | -175.9 | -92.4 | 151.8 | 0 | 0 | 0 | 114.8 | Q25 | L23-Q25 PolarHBondContact O-N 2.94Š|
| 24 | D | 31.1 | Very low | 31.3 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 9.8 | -178 | -79.8 | -18.8 | 0 | 0 | 0 | 114.5 | ||
| 25 | Q | 31.9 | Very low | 31.5 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 8.4 | -178.8 | -66.1 | -166.1 | 15.7 | 0 | 0 | 115.9 | L23 K27 | L23-Q25 PolarHBondContact O-N 2.94Å; Q25-K27 VanDerWaalsContact C-N 3.29Å; Q25-K27 PolarHBondContact O-N 2.78Å |
| 26 | L | 26.6 | Very low | 31.4 | Very low | 155 Ų | 155 | 149 Ų | 149 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -79.6 | 78.2 | 169.2 | -81.7 | 162.4 | 0 | 0 | 0 | 110.8 | L28 | L26-L28 PolarHBondContact O-N 3.39Š| ||
| 27 | K | 28.9 | Very low | 31.4 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -63.2 | 113 | 163.7 | -84.3 | 180 | 174.8 | 176.1 | 0 | 109.4 | Q25 | Q25-K27 VanDerWaalsContact C-N 3.29Å; Q25-K27 PolarHBondContact O-N 2.78Å | ||
| 28 | L | 31.3 | Very low | 31.3 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 129 | 161.9 | -71.6 | 165.4 | 0 | 0 | 0 | 108.6 | L26 | L26-L28 PolarHBondContact O-N 3.39Š|
| 29 | S | 28.9 | Very low | 31.3 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63 | 146.3 | 176.4 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | M31 | S29-M31 PolarHBondContact O-N 3.04Š|
| 30 | P | 29.6 | Very low | 31 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 124.1 | 179.5 | 12.2 | 1.2 | 0 | 0 | 0 | 110.2 | ||
| 31 | M | 31.2 | Very low | 31 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 124.4 | 160.3 | -93.3 | -169.1 | 178.2 | 0 | 0 | 108.3 | S29 | S29-M31 PolarHBondContact O-N 3.04Š|
| 32 | G | 30.6 | Very low | 30.8 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66 | 159.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116 | K34 | G32-K34 PolarHBondContact O-N 2.96Š|
| 33 | D | 35 | Very low | 30.8 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -49.7 | 114.4 | 177.8 | -61 | -44.9 | 0 | 0 | 0 | 112.5 | ||||
| 34 | K | 31.7 | Very low | 30.9 | Very low | 205 Ų | 205 | 147.3 Ų | 147.3 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -110.8 | 98.4 | 156.5 | -87.8 | -175.6 | 176.3 | 179.1 | 0 | 108.4 | G32 W36 | G32-K34 PolarHBondContact O-N 2.96Å; K34-W36 PolarHBondContact O-N 3.29Å | ||
| 35 | L | 30.5 | Very low | 31.2 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -59.9 | 123.3 | 167.3 | -152.9 | 79.3 | 0 | 0 | 0 | 109.1 | ||||
| 36 | W | 33 | Very low | 31.6 | Very low | 235 Ų | 235 | 145.4 Ų | 145.4 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -115.2 | 145.3 | 167.3 | -169.4 | -102.5 | 0 | 0 | 0 | 108.3 | K34 | K34-W36 PolarHBondContact O-N 3.29Š| ||
| 37 | P | 28.4 | Very low | 32.1 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 57% | 0.571 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 163.9 | -160.8 | 25.8 | -24.7 | 0 | 0 | 0 | 113.3 | ||
| 38 | P | 29.6 | Very low | 32.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 146.7 | -174.1 | 29.7 | -31.4 | 0 | 0 | 0 | 111.5 | D40 | P38-D40 PolarHBondContact O-N 2.96Š|
| 39 | D | 32 | Very low | 32.4 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121 | 173 | -89.7 | -30.9 | 0 | 0 | 0 | 110.4 | ||
| 40 | D | 29.8 | Very low | 33 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | -129.6 | 131.4 | 165.7 | -146 | -5.5 | 0 | 0 | 0 | 111.1 | P38 | P38-D40 PolarHBondContact O-N 2.96Š| ||
| 41 | S | 33.6 | Very low | 33.1 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | 86.1 | 117.2 | 152.7 | 76.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 42 | S | 31 | Very low | 33 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | 84.5 | 92.4 | 129.8 | 72.9 | 0 | 0 | 0 | 0 | 118.9 | S44 | S42-S44 PolarHBondContact O-N 3.09Š| |||
| 43 | M | 31.5 | Very low | 33.1 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 78% | 0.778 | 72% | 0.717 | S | S | * | * | trans | -60.9 | 126.7 | 161.4 | -66.8 | -92 | 87 | 0 | 0 | 110.8 | E47 | M43-E47 WeakPolarHBondContact CE-OE2 3.12Š| ||
| 44 | S | 32.8 | Very low | 33.3 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 44% | 0.441 | 71% | 0.706 | S | S | . | * | trans | -82.2 | 141.7 | 175.1 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | S42 S46 E47 | S42-S44 PolarHBondContact O-N 3.09Å; S44-S46 PolarHBondContact O-N 3.44Å; S44-S46 PolarHBondContact OG-OG 2.99Å; S44-E47 PolarHBondContact O-N 2.89Å; S44-E47 VanDerWaalsContact O-N 3.09Å | ||
| 45 | K | 37 | Very low | 33.3 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -11.3 | -173.8 | -80.2 | 176.4 | 174.2 | 174.4 | 0 | 115.2 | T48 | K45-T48 PolarHBondContact O-OG1 3.08Š|
| 46 | S | 39.8 | Very low | 33.8 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 57% | 0.573 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -18.5 | 176.1 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | S44 | S44-S46 PolarHBondContact O-N 3.44Å; S44-S46 PolarHBondContact OG-OG 2.99Å |
| 47 | E | 38.3 | Very low | 34.2 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 44% | 0.439 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -80.9 | -21.2 | 176 | -72.8 | 177 | 134.6 | 0 | 0 | 112.8 | M43 S44 D49 I50 S51 | M43-E47 WeakPolarHBondContact CE-OE2 3.12Å; S44-E47 PolarHBondContact O-N 2.89Å; S44-E47 VanDerWaalsContact O-N 3.09Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.06Å; E47-I50 PolarHBondContact O-N 2.76Å; E47-S51 PolarHBondContact O-N 3.12Å; E47-S51 VanDerWaalsContact O-N 3.08Å; E47-S51 PolarHBondContact O-OG 3.48Å |
| 48 | T | 36.8 | Very low | 35.2 | Very low | 87 Ų | 87 | 118.3 Ų | 118.3 | 53% | 0.534 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.8 | -28 | 178.9 | -1.3 | 0 | 0 | 0 | 0 | 113.9 | K45 S51 K52 | K45-T48 PolarHBondContact O-OG1 3.08Å; T48-S51 WeakPolarHBondContact CA-OG 3.47Å; T48-S51 PolarHBondContact O-OG 2.93Å; T48-K52 PolarHBondContact O-N 3.08Å |
| 49 | D | 30 | Very low | 36.5 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.3 | -21.7 | 177.8 | -88.6 | -26.1 | 0 | 0 | 0 | 112.9 | E47 | E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.06Å |
| 50 | I | 41.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 115.2 Ų | 115.2 | 54% | 0.544 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -79.6 | -38 | 174.2 | -59.9 | 175.4 | 0 | 0 | 0 | 110 | E47 K52 R53 L54 | E47-I50 PolarHBondContact O-N 2.76Å; I50-K52 PolarHBondContact O-N 2.78Å; I50-R53 PolarHBondContact O-N 3.34Å; I50-L54 HydrophobicContact CG2-CD1 3.61Å; I50-L54 HydrophobicContact CG2-CG 4.33Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.29Å; I50-L54 VanDerWaalsContact O-N 3.1Å |
| 51 | S | 31.2 | Very low | 40.3 | Very low | 71 Ų | 71 | 111.7 Ų | 111.7 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.2 | -23.2 | 173.3 | 34.6 | 0 | 0 | 0 | 0 | 113.3 | E47 T48 | E47-S51 PolarHBondContact O-N 3.12Å; E47-S51 VanDerWaalsContact O-N 3.08Å; E47-S51 PolarHBondContact O-OG 3.48Å; T48-S51 WeakPolarHBondContact CA-OG 3.47Å; T48-S51 PolarHBondContact O-OG 2.93Å |
| 52 | K | 29.7 | Very low | 42.3 | Very low | 173 Ų | 173 | 116.8 Ų | 116.8 | 75% | 0.752 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.8 | -22.8 | 169.4 | -104.6 | 178.5 | 178.5 | 175.9 | 0 | 114.6 | T48 I50 | T48-K52 PolarHBondContact O-N 3.08Å; I50-K52 PolarHBondContact O-N 2.78Å |
| 53 | R | 33.3 | Very low | 44.5 | Very low | 235 Ų | 235 | 117.7 Ų | 117.7 | 89% | 0.887 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -90.3 | -14.4 | 172.9 | -74.3 | -170.9 | -178.1 | -168.1 | 1.6 | 113.6 | I50 | I50-R53 PolarHBondContact O-N 3.34Å |
| 54 | L | 39.4 | Very low | 46.9 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | trans | -99.1 | 15.5 | -177.9 | -71.8 | 168.2 | 0 | 0 | 0 | 113.9 | I50 E56 | I50-L54 HydrophobicContact CG2-CD1 3.61Å; I50-L54 HydrophobicContact CG2-CG 4.33Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.29Å; I50-L54 VanDerWaalsContact O-N 3.1Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.36Å; L54-E56 VanDerWaalsContact O-N 3.14Å | ||
| 55 | G | 31.7 | Very low | 49.4 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | trans | -81.8 | 31.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 56 | E | 39 | Very low | 51.8 | Low | 172 Ų | 172 | 108 Ų | 108 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | trans | -123.4 | 55.9 | 173.6 | -70.8 | -176.2 | 169.9 | 0 | 0 | 110.6 | L54 S58 | L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.36Å; L54-E56 VanDerWaalsContact O-N 3.14Å; E56-S58 PolarHBondContact O-N 3.35Å | ||
| 57 | G | 41.8 | Very low | 54 | Low | 43 Ų | 43 | 107.4 Ų | 107.4 | 44% | 0.443 | 56% | 0.555 | S | S | . | * | trans | -80.5 | 106.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 58 | S | 49.5 | Very low | 56.2 | Low | 46 Ų | 46 | 105.3 Ų | 105.3 | 32% | 0.322 | 55% | 0.547 | S | S | . | . | trans | 63.6 | 113.8 | 176.9 | 75.7 | 0 | 0 | 0 | 0 | 115.8 | E56 L60 | E56-S58 PolarHBondContact O-N 3.35Å; S58-L60 PolarHBondContact O-N 2.92Å | ||
| 59 | H | 56.7 | Low | 58.6 | Low | 182 Ų | 182 | 101.3 Ų | 101.3 | 84% | 0.843 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -67.6 | 9.3 | 173.5 | -89.9 | -77.3 | 0 | 0 | 0 | 114.6 | ||
| 60 | L | 69.9 | Low | 61.2 | Low | 48 Ų | 48 | 96.1 Ų | 96.1 | 25% | 0.251 | 50% | 0.495 | S | S | . | . | trans | -99.8 | 127.3 | -174.3 | -66.6 | 177.9 | 0 | 0 | 0 | 110.9 | S58 H64 A70 Y109 | S58-L60 PolarHBondContact O-N 2.92Å; L60-H64 HydrophobicContact CB-CB 4.11Å; L60-H64 WeakPolarHBondContact CD1-ND1 3.29Å; L60-H64 HydrophobicContact CD2-CB 4.46Å; L60-A70 HydrophobicContact CD1-CB 3.55Å; L60-Y109 HydrophobicContact CD1-CE2 3.99Å | ||
| 61 | S | 72.5 | Confident | 63.3 | Low | 77 Ų | 77 | 97.6 Ų | 97.6 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | trans | -62.3 | 153.3 | 172 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | D63 H64 | S61-D63 WeakPolarHBondContact CB-OD1 3.5Å; S61-D63 PolarHBondContact O-N 2.92Å; S61-D63 VanDerWaalsContact O-N 3.14Å; S61-D63 PolarHBondContact OG-OD1 3.28Å; S61-H64 WeakPolarHBondContact O-CB 3.48Å; S61-H64 PolarHBondContact O-N 3.15Å | ||
| 62 | W | 74.9 | Confident | 65.9 | Low | 204 Ų | 204 | 96.3 Ų | 96.3 | 77% | 0.773 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.2 | -175 | -168.5 | 82.6 | 0 | 0 | 0 | 113.4 | H64 Y67 | W62-H64 VanDerWaalsContact C-N 3.33Å; W62-Y67 AromaticContact CD1-CD1 3.76Å; W62-Y67 AromaticContact CD1-CE1 3.25Å; W62-Y67 AromaticContact CD1-CZ 3.43Å; W62-Y67 VanDerWaalsContact CD1-CZ 3.43Å; W62-Y67 HydrophobicContact CG-CD1 4.43Å; W62-Y67 HydrophobicContact CG-CE1 4.26Å; W62-Y67 AromaticContact NE1-CE1 3.59Å |
| 63 | D | 77.3 | Confident | 68.7 | Low | 129 Ų | 129 | 91 Ų | 91 | 69% | 0.69 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -4.5 | 174.8 | 65.5 | -27.6 | 0 | 0 | 0 | 113.8 | S61 | S61-D63 WeakPolarHBondContact CB-OD1 3.5Å; S61-D63 PolarHBondContact O-N 2.92Å; S61-D63 VanDerWaalsContact O-N 3.14Å; S61-D63 PolarHBondContact OG-OD1 3.28Å |
| 64 | H | 82.6 | Confident | 71.3 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 31% | 0.31 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -68.5 | 136 | -179 | -169.7 | -100.4 | 0 | 0 | 0 | 111.4 | L60 S61 W62 Y66 Y67 | L60-H64 HydrophobicContact CB-CB 4.11Å; L60-H64 WeakPolarHBondContact CD1-ND1 3.29Å; L60-H64 HydrophobicContact CD2-CB 4.46Å; S61-H64 WeakPolarHBondContact O-CB 3.48Å; S61-H64 PolarHBondContact O-N 3.15Å; W62-H64 VanDerWaalsContact C-N 3.33Å; H64-Y66 AromaticContact CE1-CD2 3.63Å; H64-Y66 PolarHBondContact ND1-N 3.43Å; H64-Y66 PolarHBondContact O-N 2.73Å; H64-Y67 WeakPolarHBondContact O-CB 2.99Å; H64-Y67 PolarHBondContact O-N 3.45Å |
| 65 | P | 85.6 | Confident | 73.7 | Confident | 92 Ų | 92 | 74.3 Ų | 74.3 | 60% | 0.597 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19 | -175.7 | -28.2 | 35 | 0 | 0 | 0 | 116.3 | ||
| 66 | Y | 87.3 | Confident | 76.4 | Confident | 53 Ų | 53 | 73 Ų | 73 | 21% | 0.208 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 14.8 | -179.8 | -55.5 | -66.3 | 0 | 0 | 0 | 113.7 | H64 D68 I69 A70 M108 Y109 A112 | H64-Y66 AromaticContact CE1-CD2 3.63Å; H64-Y66 PolarHBondContact ND1-N 3.43Å; H64-Y66 PolarHBondContact O-N 2.73Å; Y66-D68 VanDerWaalsContact C-N 3.26Å; Y66-D68 PolarHBondContact O-N 3.25Å; Y66-I69 PolarHBondContact O-N 3.08Å; Y66-I69 VanDerWaalsContact O-N 3.15Å; Y66-A70 WeakPolarHBondContact O-CB 3.43Å; Y66-A70 PolarHBondContact O-N 2.81Å; Y66-M108 HydrophobicContact CE1-CB 3.76Å; Y66-Y109 HydrophobicContact CD1-CD2 4.43Å; Y66-Y109 HydrophobicContact CD2-CD2 4.04Å; Y66-Y109 AromaticContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CG 4.27Å; Y66-A112 HydrophobicContact CE2-CB 4.29Å |
| 67 | Y | 85.1 | Confident | 78.7 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.6 | -41.4 | -179.3 | 175.1 | -93.8 | 0 | 0 | 0 | 112.3 | W62 H64 I69 A70 R71 | W62-Y67 AromaticContact CD1-CD1 3.76Å; W62-Y67 AromaticContact CD1-CE1 3.25Å; W62-Y67 AromaticContact CD1-CZ 3.43Å; W62-Y67 VanDerWaalsContact CD1-CZ 3.43Å; W62-Y67 HydrophobicContact CG-CD1 4.43Å; W62-Y67 HydrophobicContact CG-CE1 4.26Å; W62-Y67 AromaticContact NE1-CE1 3.59Å; H64-Y67 WeakPolarHBondContact O-CB 2.99Å; H64-Y67 PolarHBondContact O-N 3.45Å; Y67-I69 PolarHBondContact O-N 3.02Å; Y67-A70 PolarHBondContact O-N 3.32Å; Y67-R71 WeakPolarHBondContact O-CB 3.43Å; Y67-R71 WeakPolarHBondContact O-CG 3.08Å; Y67-R71 PolarHBondContact O-N 3.15Å |
| 68 | D | 84.1 | Confident | 80.6 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.7 | -34.7 | 177.1 | 56.4 | -15.2 | 0 | 0 | 0 | 113.2 | Y66 R71 H72 K105 | Y66-D68 VanDerWaalsContact C-N 3.26Å; Y66-D68 PolarHBondContact O-N 3.25Å; D68-R71 WeakPolarHBondContact O-CG 3.35Å; D68-R71 PolarHBondContact O-NE 2.75Å; D68-H72 PolarHBondContact O-CD2 2.78Å; D68-H72 PolarHBondContact O-NE2 3.17Å; D68-K105 WeakPolarHBondContact OD2-CD 3.44Å; D68-K105 IonicContact OD2-NZ 3.82Å; D68-K105 PolarHBondContact OD2-NZ 3.28Å |
| 69 | I | 87.9 | Confident | 82.1 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -83.5 | -47.8 | 174.3 | -53.8 | -56.8 | 0 | 0 | 0 | 111.3 | Y66 Y67 R71 H72 I74 L101 K105 L106 Y109 | Y66-I69 PolarHBondContact O-N 3.08Å; Y66-I69 VanDerWaalsContact O-N 3.15Å; Y67-I69 PolarHBondContact O-N 3.02Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 3.23Å; I69-H72 WeakPolarHBondContact O-CB 3.5Å; I69-H72 PolarHBondContact O-N 3.27Å; I69-H72 VanDerWaalsContact O-N 3.13Å; I69-I74 HydrophobicContact CG2-CD1 4.49Å; I69-L101 HydrophobicContact CD1-CD1 3.67Å; I69-K105 HydrophobicContact CD1-CB 4.15Å; I69-K105 HydrophobicContact CG1-CB 4.05Å; I69-L106 HydrophobicContact CD1-CB 4.41Å; I69-L106 HydrophobicContact CG2-CB 4.46Å; I69-L106 HydrophobicContact CG2-CD1 3.62Å; I69-Y109 HydrophobicContact CB-CD1 4.34Å; I69-Y109 HydrophobicContact CB-CG 4.4Å; I69-Y109 HydrophobicContact CG2-CD1 3.6Å; I69-Y109 HydrophobicContact CG2-CE1 4.29Å; I69-Y109 HydrophobicContact CG2-CG 4.05Å |
| 70 | A | 85.6 | Confident | 83.4 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -34.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L60 Y66 Y67 H72 Q73 Y109 | L60-A70 HydrophobicContact CD1-CB 3.55Å; Y66-A70 WeakPolarHBondContact O-CB 3.43Å; Y66-A70 PolarHBondContact O-N 2.81Å; Y67-A70 PolarHBondContact O-N 3.32Å; A70-H72 PolarHBondContact O-N 3.27Å; A70-H72 VanDerWaalsContact O-N 3.13Å; A70-Q73 PolarHBondContact O-N 3.4Å; A70-Y109 HydrophobicContact CB-CE1 4.49Å; A70-Y109 HydrophobicContact CB-CE2 4.1Å |
| 71 | R | 85.1 | Confident | 83.9 | Confident | 137 Ų | 137 | 56.9 Ų | 56.9 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25 | 176.9 | 71.2 | -176.9 | -174.4 | 146.9 | 5.5 | 113.6 | Y67 D68 I69 Q73 | Y67-R71 WeakPolarHBondContact O-CB 3.43Å; Y67-R71 WeakPolarHBondContact O-CG 3.08Å; Y67-R71 PolarHBondContact O-N 3.15Å; D68-R71 WeakPolarHBondContact O-CG 3.35Å; D68-R71 PolarHBondContact O-NE 2.75Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 3.23Å; R71-Q73 VanDerWaalsContact C-N 3.28Å |
| 72 | H | 85.9 | Confident | 84.3 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.2 | 177.3 | -67.4 | -73.7 | 0 | 0 | 0 | 112.6 | D68 I69 A70 I74 R94 | D68-H72 PolarHBondContact O-CD2 2.78Å; D68-H72 PolarHBondContact O-NE2 3.17Å; I69-H72 WeakPolarHBondContact O-CB 3.5Å; I69-H72 PolarHBondContact O-N 3.27Å; I69-H72 VanDerWaalsContact O-N 3.13Å; A70-H72 PolarHBondContact O-N 3.27Å; A70-H72 VanDerWaalsContact O-N 3.13Å; H72-I74 HydrophobicContact CB-CD1 3.97Å; H72-I74 HydrophobicContact CB-CG1 3.81Å; H72-I74 PolarHBondContact O-N 3.22Å; H72-R94 WeakPolarHBondContact O-CB 3.25Å; H72-R94 WeakPolarHBondContact O-CD 3.47Å |
| 73 | Q | 87 | Confident | 84.6 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 29% | 0.285 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 37.6 | -179.6 | -55.3 | 178.3 | -26.1 | 0 | 0 | 113.2 | A70 R71 V75 E76 R94 | A70-Q73 PolarHBondContact O-N 3.4Å; R71-Q73 VanDerWaalsContact C-N 3.28Å; Q73-V75 PolarHBondContact O-N 3.46Å; Q73-E76 HydrophobicContact CB-CG 4.5Å; Q73-E76 WeakPolarHBondContact CB-OE1 3.44Å; Q73-R94 WeakPolarHBondContact O-CD 3.3Å; Q73-R94 PolarHBondContact O-NH1 3.33Å; Q73-R94 VanDerWaalsContact OE1-CZ 3.3Å |
| 74 | I | 88.7 | Confident | 84.9 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | trans | -65 | -34.9 | 176.4 | -61.5 | 166.3 | 0 | 0 | 0 | 109.9 | I69 H72 F90 N91 M95 L101 L106 | I69-I74 HydrophobicContact CG2-CD1 4.49Å; H72-I74 HydrophobicContact CB-CD1 3.97Å; H72-I74 HydrophobicContact CB-CG1 3.81Å; H72-I74 PolarHBondContact O-N 3.22Å; I74-F90 CarbonylContact O-C 3.55Å; I74-F90 WeakPolarHBondContact O-CA 3.43Å; I74-N91 PolarHBondContact O-N 2.88Å; I74-M95 HydrophobicContact CD1-CG 4.11Å; I74-M95 HydrophobicContact CG1-CG 4.16Å; I74-M95 HydrophobicContact CG2-CG 3.95Å; I74-M95 HydrophobicContact CG2-SD 4.41Å; I74-L101 HydrophobicContact CD1-CD1 4.03Å; I74-L101 HydrophobicContact CD1-CD2 4.27Å; I74-L106 HydrophobicContact CD1-CD1 4.08Å; I74-L106 HydrophobicContact CG2-CD1 4.2Å | ||
| 75 | V | 90.1 | Very high | 85.2 | Confident | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.6 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | Q73 I88 V89 F90 Y109 L110 T113 | Q73-V75 PolarHBondContact O-N 3.46Å; V75-I88 HydrophobicContact CG1-CG2 3.86Å; V75-V89 VanDerWaalsContact CA-O 3.27Å; V75-V89 WeakPolarHBondContact CA-O 3.42Å; V75-F90 HydrophobicContact CG1-CZ 4.44Å; V75-F90 HydrophobicContact CG2-CD1 3.38Å; V75-F90 HydrophobicContact CG2-CE1 3.52Å; V75-F90 HydrophobicContact CG2-CG 3.96Å; V75-F90 HydrophobicContact CG2-CZ 4.12Å; V75-Y109 HydrophobicContact CB-CE1 4.44Å; V75-L110 HydrophobicContact CB-CD2 4.12Å; V75-L110 HydrophobicContact CG2-CD2 3.1Å; V75-T113 HydrophobicContact CG1-CG2 3.97Å |
| 76 | E | 88.3 | Confident | 85.4 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149 | -178.7 | -65.8 | 178.2 | 160.1 | 0 | 0 | 110.4 | Q73 V89 R94 | Q73-E76 HydrophobicContact CB-CG 4.5Å; Q73-E76 WeakPolarHBondContact CB-OE1 3.44Å; E76-V89 PolarHBondContact N-O 3.39Å; E76-V89 PolarHBondContact O-N 3.2Å; E76-R94 IonicContact OE1-CZ 3.1Å; E76-R94 IonicContact OE1-NH1 2.69Å; E76-R94 PolarHBondContact OE1-NH1 3.06Å; E76-R94 IonicContact OE1-NH2 3.03Å; E76-R94 IonicContact OE2-NH1 3.32Å; E76-R94 PolarHBondContact OE2-NH1 3.41Å |
| 77 | V | 87.1 | Confident | 85.5 | Confident | 56 Ų | 56 | 46.7 Ų | 46.7 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 104.1 | 171.6 | -177 | 0 | 0 | 0 | 0 | 107 | G79 K86 V87 T113 Y117 | V77-G79 PolarHBondContact O-N 2.91Å; V77-K86 HydrophobicContact CG1-CD 4.24Å; V77-V87 CarbonylContact C-O 3.49Å; V77-V87 WeakPolarHBondContact CA-O 3.37Å; V77-T113 HydrophobicContact CG2-CG2 4.32Å; V77-Y117 HydrophobicContact CG1-CE1 4.3Å; V77-Y117 HydrophobicContact CG1-CE2 4.38Å; V77-Y117 HydrophobicContact CG2-CD2 4.49Å; V77-Y117 HydrophobicContact CG2-CE2 3.63Å |
| 78 | A | 81.6 | Confident | 85.9 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 46 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V87 V89 L206 | A78-V87 PolarHBondContact N-O 3.42Å; A78-V89 HydrophobicContact CB-CG2 3.53Å; A78-L206 HydrophobicContact CB-CD2 3.46Å; A78-L206 VanDerWaalsContact CB-CD2 3.46Å |
| 79 | G | 81.3 | Confident | 86.3 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.7 | -140.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V77 K86 V87 | V77-G79 PolarHBondContact O-N 2.91Å; G79-K86 WeakPolarHBondContact O-CA 3.37Å; G79-V87 PolarHBondContact O-N 3.39Å |
| 80 | D | 82.9 | Confident | 86.5 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.4 | -172.1 | -61.4 | -57.2 | 0 | 0 | 0 | 110.8 | R85 K86 Q205 | D80-R85 CarbonylContact C-O 3.59Å; D80-R85 VanDerWaalsContact CA-O 3.27Å; D80-R85 WeakPolarHBondContact CA-O 3.36Å; D80-K86 WeakPolarHBondContact OD1-CD 3.39Å; D80-K86 WeakPolarHBondContact OD1-CE 3.42Å; D80-K86 IonicContact OD1-NZ 3.34Å; D80-K86 PolarHBondContact OD1-NZ 2.94Å; D80-K86 IonicContact OD2-NZ 2.85Å; D80-K86 PolarHBondContact OD2-NZ 2.91Å; D80-Q205 PolarHBondContact O-OE1 3.39Å; D80-Q205 VanDerWaalsContact O-OE1 3.1Å |
| 81 | D | 81.9 | Confident | 86.8 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | trans | -76.8 | -178 | 176.6 | 68.9 | 19.8 | 0 | 0 | 0 | 112.5 | F83 G84 R85 V87 T123 V201 | D81-F83 PolarHBondContact O-N 2.88Å; D81-F83 WeakPolarHBondContact OD1-CA 3.43Å; D81-F83 WeakPolarHBondContact OD1-CB 3.44Å; D81-F83 PolarHBondContact OD1-N 3.41Å; D81-G84 PolarHBondContact O-N 2.81Å; D81-G84 PolarHBondContact OD1-N 3.33Å; D81-R85 PolarHBondContact N-O 2.92Å; D81-R85 WeakPolarHBondContact OD1-CB 3.32Å; D81-R85 PolarHBondContact OD1-N 3.48Å; D81-R85 IonicContact OD1-NE 2.84Å; D81-R85 PolarHBondContact OD1-NE 2.94Å; D81-R85 IonicContact OD1-NH2 2.69Å; D81-R85 IonicContact OD2-CZ 3.55Å; D81-R85 IonicContact OD2-NE 3.68Å; D81-R85 PolarHBondContact OD2-NE 2.88Å; D81-R85 IonicContact OD2-NH2 3.51Å; D81-R85 PolarHBondContact OD2-NH2 3.16Å; D81-V87 HydrophobicContact CB-CG2 3.67Å; D81-T123 PolarHBondContact OD2-OG1 3.36Å; D81-V201 HydrophobicContact CB-CG2 4.42Å | ||
| 82 | N | 79.4 | Confident | 87 | Confident | 73 Ų | 73 | 36 Ų | 36 | 39% | 0.39 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -13.3 | -178.9 | -71.7 | -19.6 | 0 | 0 | 0 | 114.4 | V200 K202 | N82-V200 PolarHBondContact ND2-O 3.15Å; N82-K202 WeakPolarHBondContact OD1-CG 3.46Å |
| 83 | F | 82.9 | Confident | 87 | Confident | 156 Ų | 156 | 34.6 Ų | 34.6 | 68% | 0.684 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 9.3 | 177.1 | -58.7 | -84.4 | 0 | 0 | 0 | 112.9 | D81 R85 | D81-F83 PolarHBondContact O-N 2.88Å; D81-F83 WeakPolarHBondContact OD1-CA 3.43Å; D81-F83 WeakPolarHBondContact OD1-CB 3.44Å; D81-F83 PolarHBondContact OD1-N 3.41Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 HydrophobicContact CB-CG 4.22Å |
| 84 | G | 82.9 | Confident | 87 | Confident | 55 Ų | 55 | 34 Ų | 34 | 57% | 0.567 | 19% | 0.185 | S | C | * | . | S | Bend | trans | 76 | 18 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D81 | D81-G84 PolarHBondContact O-N 2.81Å; D81-G84 PolarHBondContact OD1-N 3.33Å |
| 85 | R | 88.8 | Confident | 86.9 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 19% | 0.189 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -92.8 | 138.5 | 179.9 | -53.9 | 173.5 | -63.5 | -160.1 | 6.1 | 109.7 | D80 D81 F83 V87 D121 K158 | D80-R85 CarbonylContact C-O 3.59Å; D80-R85 VanDerWaalsContact CA-O 3.27Å; D80-R85 WeakPolarHBondContact CA-O 3.36Å; D81-R85 PolarHBondContact N-O 2.92Å; D81-R85 WeakPolarHBondContact OD1-CB 3.32Å; D81-R85 PolarHBondContact OD1-N 3.48Å; D81-R85 IonicContact OD1-NE 2.84Å; D81-R85 PolarHBondContact OD1-NE 2.94Å; D81-R85 IonicContact OD1-NH2 2.69Å; D81-R85 IonicContact OD2-CZ 3.55Å; D81-R85 IonicContact OD2-NE 3.68Å; D81-R85 PolarHBondContact OD2-NE 2.88Å; D81-R85 IonicContact OD2-NH2 3.51Å; D81-R85 PolarHBondContact OD2-NH2 3.16Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 HydrophobicContact CB-CG 4.22Å; R85-V87 PolarHBondContact O-N 3.11Å; R85-D121 WeakPolarHBondContact CB-O 3.34Å; R85-D121 HydrophobicContact CG-CB 4.31Å; R85-K158 VanDerWaalsContact NH1-CB 3.27Å |
| 86 | K | 88.9 | Confident | 86.6 | Confident | 75 Ų | 75 | 34.9 Ų | 34.9 | 33% | 0.326 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 134.2 | 179.6 | -72.1 | -75.4 | 168.4 | -135.5 | 0 | 111.3 | V77 G79 D80 Y117 Y122 T123 | V77-K86 HydrophobicContact CG1-CD 4.24Å; G79-K86 WeakPolarHBondContact O-CA 3.37Å; D80-K86 WeakPolarHBondContact OD1-CD 3.39Å; D80-K86 WeakPolarHBondContact OD1-CE 3.42Å; D80-K86 IonicContact OD1-NZ 3.34Å; D80-K86 PolarHBondContact OD1-NZ 2.94Å; D80-K86 IonicContact OD2-NZ 2.85Å; D80-K86 PolarHBondContact OD2-NZ 2.91Å; K86-Y117 HydrophobicContact CB-CD1 4.08Å; K86-Y117 HydrophobicContact CD-CD1 4.3Å; K86-Y117 HydrophobicContact CD-CE1 4.06Å; K86-Y117 HydrophobicContact CG-CD1 3.78Å; K86-Y117 HydrophobicContact CG-CE1 4.06Å; K86-Y122 WeakPolarHBondContact O-CA 3.44Å; K86-Y122 WeakPolarHBondContact O-CB 3.43Å; K86-T123 PolarHBondContact O-N 3.33Å |
| 87 | V | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.4 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | V77 A78 G79 D81 R85 V89 T123 I125 V201 L206 | V77-V87 CarbonylContact C-O 3.49Å; V77-V87 WeakPolarHBondContact CA-O 3.37Å; A78-V87 PolarHBondContact N-O 3.42Å; G79-V87 PolarHBondContact O-N 3.39Å; D81-V87 HydrophobicContact CB-CG2 3.67Å; R85-V87 PolarHBondContact O-N 3.11Å; V87-V89 HydrophobicContact CG1-CG2 4.1Å; V87-T123 WeakPolarHBondContact CA-O 3.35Å; V87-I125 HydrophobicContact CG1-CD1 3.47Å; V87-I125 VanDerWaalsContact CG1-CD1 3.47Å; V87-I125 HydrophobicContact CG1-CG1 3.93Å; V87-V201 HydrophobicContact CG2-CG1 4.2Å; V87-L206 HydrophobicContact CG1-CD2 4.04Å |
| 88 | I | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.2 | 177.4 | -51.5 | 174 | 0 | 0 | 0 | 108 | V75 F90 L114 Y117 Y122 T123 L124 I125 | V75-I88 HydrophobicContact CG1-CG2 3.86Å; I88-F90 HydrophobicContact CG2-CD2 4.36Å; I88-F90 HydrophobicContact CG2-CE2 3.73Å; I88-F90 HydrophobicContact CG2-CZ 4.46Å; I88-L114 HydrophobicContact CD1-CD2 3.54Å; I88-Y117 HydrophobicContact CD1-CD2 3.89Å; I88-Y117 HydrophobicContact CD1-CG 4.18Å; I88-Y122 HydrophobicContact CD1-CD2 3.86Å; I88-Y122 HydrophobicContact CD1-CE2 4.15Å; I88-Y122 HydrophobicContact CG1-CD2 4.49Å; I88-T123 PolarHBondContact N-O 3.41Å; I88-L124 HydrophobicContact CB-CD2 3.68Å; I88-L124 HydrophobicContact CD1-CD2 4.43Å; I88-L124 HydrophobicContact CG1-CD2 4.48Å; I88-L124 HydrophobicContact CG2-CD2 4.22Å; I88-L124 WeakPolarHBondContact O-CA 3.19Å; I88-I125 PolarHBondContact O-N 3.02Å |
| 89 | V | 92.2 | Very high | 85.9 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.5 | -173.5 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | V75 E76 A78 V87 I125 F127 L206 | V75-V89 VanDerWaalsContact CA-O 3.27Å; V75-V89 WeakPolarHBondContact CA-O 3.42Å; E76-V89 PolarHBondContact N-O 3.39Å; E76-V89 PolarHBondContact O-N 3.2Å; A78-V89 HydrophobicContact CB-CG2 3.53Å; V87-V89 HydrophobicContact CG1-CG2 4.1Å; V89-I125 CarbonylContact C-O 3.52Å; V89-I125 WeakPolarHBondContact CA-O 3.5Å; V89-I125 HydrophobicContact CG2-CB 4.34Å; V89-I125 HydrophobicContact CG2-CD1 4.47Å; V89-F127 HydrophobicContact CG1-CD2 3.54Å; V89-F127 HydrophobicContact CG1-CE2 3.51Å; V89-L206 HydrophobicContact CG2-CD2 3.55Å |
| 90 | F | 92.9 | Very high | 85.9 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.9 | 173.9 | -71.7 | -106.2 | 0 | 0 | 0 | 109.1 | I74 V75 I88 L110 L114 L124 I125 Y126 F127 | I74-F90 CarbonylContact O-C 3.55Å; I74-F90 WeakPolarHBondContact O-CA 3.43Å; V75-F90 HydrophobicContact CG1-CZ 4.44Å; V75-F90 HydrophobicContact CG2-CD1 3.38Å; V75-F90 HydrophobicContact CG2-CE1 3.52Å; V75-F90 HydrophobicContact CG2-CG 3.96Å; V75-F90 HydrophobicContact CG2-CZ 4.12Å; I88-F90 HydrophobicContact CG2-CD2 4.36Å; I88-F90 HydrophobicContact CG2-CE2 3.73Å; I88-F90 HydrophobicContact CG2-CZ 4.46Å; F90-L110 HydrophobicContact CD1-CD2 3.99Å; F90-L110 HydrophobicContact CE1-CD1 3.87Å; F90-L110 HydrophobicContact CE1-CD2 3.27Å; F90-L110 HydrophobicContact CE1-CG 4.06Å; F90-L110 HydrophobicContact CZ-CD2 4.05Å; F90-L114 HydrophobicContact CZ-CD1 4.47Å; F90-L124 HydrophobicContact CD2-CD2 4.48Å; F90-L124 HydrophobicContact CE2-CD2 3.83Å; F90-I125 PolarHBondContact N-O 3.15Å; F90-Y126 HydrophobicContact CB-CD2 3.79Å; F90-Y126 WeakPolarHBondContact O-CA 3.46Å; F90-F127 PolarHBondContact O-N 3.42Å |
| 91 | N | 91.6 | Very high | 86 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 100.3 | -175.5 | -73.1 | -62.6 | 0 | 0 | 0 | 111.2 | I74 C93 R94 F127 P209 | I74-N91 PolarHBondContact O-N 2.88Å; N91-C93 VanDerWaalsContact C-N 3.32Å; N91-C93 PolarHBondContact O-N 3.45Å; N91-R94 HydrophobicContact CB-CB 4.28Å; N91-R94 HydrophobicContact CB-CG 4.15Å; N91-R94 PolarHBondContact ND2-NH1 2.99Å; N91-R94 PolarHBondContact O-N 2.94Å; N91-F127 VanDerWaalsContact OD1-CD2 3.23Å; N91-F127 WeakPolarHBondContact OD1-CD2 3.48Å; N91-P209 HydrophobicContact CB-CG 4.46Å; N91-P209 WeakPolarHBondContact OD1-CD 3.46Å; N91-P209 WeakPolarHBondContact OD1-CG 3.38Å |
| 92 | A | 88.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -68.4 | -31.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | R94 M95 Y126 F127 L131 | A92-R94 PolarHBondContact O-N 3.11Å; A92-R94 VanDerWaalsContact O-N 3.09Å; A92-M95 PolarHBondContact O-N 3.08Å; A92-Y126 HydrophobicContact CB-CE2 3.84Å; A92-F127 WeakPolarHBondContact CB-O 3.3Å; A92-F127 PolarHBondContact N-O 3.12Å; A92-L131 HydrophobicContact CB-CD1 4.48Å; A92-L131 HydrophobicContact CB-CD2 3.96Å; A92-L131 HydrophobicContact CB-CG 3.81Å |
| 93 | C | 86.2 | Confident | 86.6 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.081 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -63.3 | -13.9 | 177.4 | 62.5 | 0 | 0 | 0 | 0 | 114.7 | N91 N129 | N91-C93 VanDerWaalsContact C-N 3.32Å; N91-C93 PolarHBondContact O-N 3.45Å; C93-N129 WeakPolarHBondContact CA-O 3.36Å; C93-N129 VanDerWaalsContact CB-O 3.26Å; C93-N129 WeakPolarHBondContact CB-O 3.33Å; C93-N129 PolarHBondContact N-O 3.31Å; C93-N129 VanDerWaalsContact N-O 3.15Å |
| 94 | R | 87.1 | Confident | 86.8 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -100.3 | -0.1 | 178.6 | -68.1 | -177.9 | 174.2 | 165.9 | -5.2 | 113.1 | H72 Q73 E76 N91 A92 P96 | H72-R94 WeakPolarHBondContact O-CB 3.25Å; H72-R94 WeakPolarHBondContact O-CD 3.47Å; Q73-R94 WeakPolarHBondContact O-CD 3.3Å; Q73-R94 PolarHBondContact O-NH1 3.33Å; Q73-R94 VanDerWaalsContact OE1-CZ 3.3Å; E76-R94 IonicContact OE1-CZ 3.1Å; E76-R94 IonicContact OE1-NH1 2.69Å; E76-R94 PolarHBondContact OE1-NH1 3.06Å; E76-R94 IonicContact OE1-NH2 3.03Å; E76-R94 IonicContact OE2-NH1 3.32Å; E76-R94 PolarHBondContact OE2-NH1 3.41Å; N91-R94 HydrophobicContact CB-CB 4.28Å; N91-R94 HydrophobicContact CB-CG 4.15Å; N91-R94 PolarHBondContact ND2-NH1 2.99Å; N91-R94 PolarHBondContact O-N 2.94Å; A92-R94 PolarHBondContact O-N 3.11Å; A92-R94 VanDerWaalsContact O-N 3.09Å; R94-P96 WeakPolarHBondContact O-CD 3.4Å |
| 95 | M | 86.6 | Confident | 87.1 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 121 | 173.7 | -68.9 | -149.4 | -61.1 | 0 | 0 | 110.4 | I74 A92 L101 L106 L131 N135 P137 | I74-M95 HydrophobicContact CD1-CG 4.11Å; I74-M95 HydrophobicContact CG1-CG 4.16Å; I74-M95 HydrophobicContact CG2-CG 3.95Å; I74-M95 HydrophobicContact CG2-SD 4.41Å; A92-M95 PolarHBondContact O-N 3.08Å; M95-L101 HydrophobicContact SD-CD2 4.3Å; M95-L106 HydrophobicContact SD-CD2 4.09Å; M95-L131 HydrophobicContact CE-CD2 3.48Å; M95-L131 VanDerWaalsContact CE-CD2 3.48Å; M95-N135 HydrophobicContact CB-CB 4.49Å; M95-N135 PolarHBondContact O-ND2 3.36Å; M95-P137 HydrophobicContact CE-CG 3.82Å |
| 96 | P | 85 | Confident | 87.1 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 169.9 | 175.1 | 29.6 | -30.9 | 0 | 0 | 0 | 111 | R94 E100 L101 N135 | R94-P96 WeakPolarHBondContact O-CD 3.4Å; P96-E100 HydrophobicContact CB-CB 4.22Å; P96-L101 HydrophobicContact CG-CB 4.03Å; P96-L101 HydrophobicContact CG-CD1 3.94Å; P96-L101 HydrophobicContact CG-CD2 4.43Å; P96-L101 HydrophobicContact CG-CG 4.35Å; P96-N135 WeakPolarHBondContact O-CB 3.39Å |
| 97 | P | 83.5 | Confident | 87.2 | Confident | 34 Ų | 34 | 40 Ų | 40 | 22% | 0.221 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 154.5 | 177.1 | -26.4 | 36 | 0 | 0 | 0 | 113.6 | H99 E100 L101 E134 | P97-H99 WeakPolarHBondContact CB-CE1 3.22Å; P97-H99 PolarHBondContact O-N 2.58Å; P97-E100 PolarHBondContact O-N 3.33Å; P97-L101 PolarHBondContact O-N 3.28Å; P97-E134 CarbonylContact C-O 3.29Å; P97-E134 VanDerWaalsContact CA-O 3.26Å; P97-E134 WeakPolarHBondContact CA-O 3.45Å |
| 98 | H | 78.6 | Confident | 87.1 | Confident | 70 Ų | 70 | 43 Ų | 43 | 32% | 0.324 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -34.4 | -175.9 | -76.2 | -67 | 0 | 0 | 0 | 115.4 | E100 H103 E134 N135 K136 | H98-E100 VanDerWaalsContact C-N 3.26Å; H98-E100 PolarHBondContact O-N 2.98Å; H98-H103 AromaticContact CE1-CE1 3.87Å; H98-H103 AromaticContact CE1-NE2 3.69Å; H98-H103 AromaticContact ND1-CD2 3.83Å; H98-H103 AromaticContact ND1-CE1 3.65Å; H98-H103 AromaticContact ND1-NE2 3.01Å; H98-H103 PolarHBondContact ND1-NE2 2.93Å; H98-E134 VanDerWaalsContact CD2-C 3.42Å; H98-E134 PolarHBondContact CD2-O 3.37Å; H98-E134 PolarHBondContact N-O 2.96Å; H98-N135 VanDerWaalsContact NE2-C 3.29Å; H98-K136 PolarHBondContact CE1-O 3.22Å; H98-K136 PolarHBondContact NE2-N 2.97Å; H98-K136 PolarHBondContact NE2-O 3.22Å |
| 99 | H | 79.5 | Confident | 87 | Confident | 158 Ų | 158 | 44.4 Ų | 44.4 | 73% | 0.731 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.6 | -178.1 | 60.1 | -87.6 | 0 | 0 | 0 | 113 | P97 | P97-H99 WeakPolarHBondContact CB-CE1 3.22Å; P97-H99 PolarHBondContact O-N 2.58Å |
| 100 | E | 82.1 | Confident | 86.9 | Confident | 114 Ų | 114 | 45 Ų | 45 | 53% | 0.533 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -8.2 | 179.7 | -57.7 | -175.3 | 179.1 | 0 | 0 | 112.7 | P96 P97 H98 | P96-E100 HydrophobicContact CB-CB 4.22Å; P97-E100 PolarHBondContact O-N 3.33Å; H98-E100 VanDerWaalsContact C-N 3.26Å; H98-E100 PolarHBondContact O-N 2.98Å |
| 101 | L | 84.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | trans | -119.9 | 117.7 | -175.9 | -163.8 | 61.7 | 0 | 0 | 0 | 112.2 | I69 I74 M95 P96 P97 H103 L106 | I69-L101 HydrophobicContact CD1-CD1 3.67Å; I74-L101 HydrophobicContact CD1-CD1 4.03Å; I74-L101 HydrophobicContact CD1-CD2 4.27Å; M95-L101 HydrophobicContact SD-CD2 4.3Å; P96-L101 HydrophobicContact CG-CB 4.03Å; P96-L101 HydrophobicContact CG-CD1 3.94Å; P96-L101 HydrophobicContact CG-CD2 4.43Å; P96-L101 HydrophobicContact CG-CG 4.35Å; P97-L101 PolarHBondContact O-N 3.28Å; L101-H103 PolarHBondContact O-CD2 3.37Å; L101-H103 PolarHBondContact O-N 3.23Å; L101-H103 VanDerWaalsContact O-N 3.11Å; L101-L106 HydrophobicContact CD2-CD2 3.94Å | ||
| 102 | D | 87.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 47.3 Ų | 47.3 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | trans | -75.2 | 101.6 | 166.6 | -175.7 | -25.5 | 0 | 0 | 0 | 109.8 | H104 K105 L106 | D102-H104 VanDerWaalsContact C-N 3.26Å; D102-H104 PolarHBondContact O-N 3.45Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 WeakPolarHBondContact OD1-CB 3.27Å; D102-H104 PolarHBondContact OD1-N 3.03Å; D102-K105 HydrophobicContact CB-CB 3.94Å; D102-K105 HydrophobicContact CB-CD 4Å; D102-K105 HydrophobicContact CB-CG 4.19Å; D102-K105 PolarHBondContact O-N 3.45Å; D102-K105 PolarHBondContact OD1-N 2.92Å; D102-K105 WeakPolarHBondContact OD2-CD 3.38Å; D102-K105 WeakPolarHBondContact OD2-CG 2.87Å; D102-L106 WeakPolarHBondContact O-CB 3.3Å; D102-L106 PolarHBondContact O-N 3.24Å | ||
| 103 | H | 85.2 | Confident | 86.7 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -25.6 | -179.3 | -77 | -82.6 | 0 | 0 | 0 | 113.4 | H98 L101 L107 W141 | H98-H103 AromaticContact CE1-CE1 3.87Å; H98-H103 AromaticContact CE1-NE2 3.69Å; H98-H103 AromaticContact ND1-CD2 3.83Å; H98-H103 AromaticContact ND1-CE1 3.65Å; H98-H103 AromaticContact ND1-NE2 3.01Å; H98-H103 PolarHBondContact ND1-NE2 2.93Å; L101-H103 PolarHBondContact O-CD2 3.37Å; L101-H103 PolarHBondContact O-N 3.23Å; L101-H103 VanDerWaalsContact O-N 3.11Å; H103-L107 PolarHBondContact O-N 2.85Å; H103-L107 VanDerWaalsContact O-N 3.13Å; H103-W141 HydrophobicContact CB-CG 4.37Å; H103-W141 PolarHBondContact O-NE1 3.39Å |
| 104 | H | 87.3 | Confident | 86.9 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 57% | 0.574 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -75.4 | -47.2 | 174.7 | 179.1 | 76.5 | 0 | 0 | 0 | 110.5 | D102 L106 L107 M108 | D102-H104 VanDerWaalsContact C-N 3.26Å; D102-H104 PolarHBondContact O-N 3.45Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 WeakPolarHBondContact OD1-CB 3.27Å; D102-H104 PolarHBondContact OD1-N 3.03Å; H104-L106 VanDerWaalsContact C-N 3.28Å; H104-L106 PolarHBondContact O-N 3.25Å; H104-L107 WeakPolarHBondContact O-CB 3.11Å; H104-L107 PolarHBondContact O-N 3.48Å; H104-L107 VanDerWaalsContact O-N 3.15Å; H104-M108 WeakPolarHBondContact O-CG 3.45Å; H104-M108 PolarHBondContact O-N 2.84Å |
| 105 | K | 89.6 | Confident | 87.1 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 34% | 0.335 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -39.3 | 172.6 | -80.6 | -179 | 174.2 | -179.6 | 0 | 112.3 | D68 I69 D102 M108 Y109 | D68-K105 WeakPolarHBondContact OD2-CD 3.44Å; D68-K105 IonicContact OD2-NZ 3.82Å; D68-K105 PolarHBondContact OD2-NZ 3.28Å; I69-K105 HydrophobicContact CD1-CB 4.15Å; I69-K105 HydrophobicContact CG1-CB 4.05Å; D102-K105 HydrophobicContact CB-CB 3.94Å; D102-K105 HydrophobicContact CB-CD 4Å; D102-K105 HydrophobicContact CB-CG 4.19Å; D102-K105 PolarHBondContact O-N 3.45Å; D102-K105 PolarHBondContact OD1-N 2.92Å; D102-K105 WeakPolarHBondContact OD2-CD 3.38Å; D102-K105 WeakPolarHBondContact OD2-CG 2.87Å; K105-M108 PolarHBondContact O-N 2.91Å; K105-Y109 WeakPolarHBondContact O-CB 3.47Å; K105-Y109 PolarHBondContact O-N 3.14Å |
| 106 | L | 89.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56 | -53.3 | 172.5 | 174.9 | 62.7 | 0 | 0 | 0 | 110.1 | I69 I74 M95 L101 D102 H104 M108 Y109 L110 W141 | I69-L106 HydrophobicContact CD1-CB 4.41Å; I69-L106 HydrophobicContact CG2-CB 4.46Å; I69-L106 HydrophobicContact CG2-CD1 3.62Å; I74-L106 HydrophobicContact CD1-CD1 4.08Å; I74-L106 HydrophobicContact CG2-CD1 4.2Å; M95-L106 HydrophobicContact SD-CD2 4.09Å; L101-L106 HydrophobicContact CD2-CD2 3.94Å; D102-L106 WeakPolarHBondContact O-CB 3.3Å; D102-L106 PolarHBondContact O-N 3.24Å; H104-L106 VanDerWaalsContact C-N 3.28Å; H104-L106 PolarHBondContact O-N 3.25Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 PolarHBondContact O-N 3.23Å; L106-Y109 WeakPolarHBondContact O-CB 3.25Å; L106-Y109 PolarHBondContact O-N 3.49Å; L106-Y109 VanDerWaalsContact O-N 3.1Å; L106-L110 HydrophobicContact CD1-CD2 4.23Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.4Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.38Å; L106-W141 HydrophobicContact CD2-CH2 4.46Å; L106-W141 HydrophobicContact CD2-CZ2 4.23Å |
| 107 | L | 89.1 | Confident | 87.5 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.5 | -41.9 | 179.2 | -179.2 | 59.6 | 0 | 0 | 0 | 112.4 | H103 H104 L110 K111 W141 A145 E148 F149 | H103-L107 PolarHBondContact O-N 2.85Å; H103-L107 VanDerWaalsContact O-N 3.13Å; H104-L107 WeakPolarHBondContact O-CB 3.11Å; H104-L107 PolarHBondContact O-N 3.48Å; H104-L107 VanDerWaalsContact O-N 3.15Å; L107-L110 WeakPolarHBondContact O-CB 3.3Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-K111 WeakPolarHBondContact O-CB 3.43Å; L107-K111 PolarHBondContact O-N 3.39Å; L107-W141 HydrophobicContact CB-CZ2 4.38Å; L107-A145 HydrophobicContact CD1-CB 3.72Å; L107-A145 HydrophobicContact CD2-CB 4.32Å; L107-E148 HydrophobicContact CD1-CB 4.46Å; L107-E148 HydrophobicContact CD2-CB 4.12Å; L107-E148 HydrophobicContact CD2-CG 4.14Å; L107-E148 HydrophobicContact CG-CG 4.35Å; L107-F149 HydrophobicContact CD1-CD2 4.46Å; L107-F149 HydrophobicContact CD1-CE2 3.58Å; L107-F149 HydrophobicContact CD1-CZ 3.81Å |
| 108 | M | 89.5 | Confident | 87.8 | Confident | 63 Ų | 63 | 54.4 Ų | 54.4 | 31% | 0.31 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 177 | -66.7 | -62 | -77 | 0 | 0 | 112.5 | Y66 H104 K105 L106 K111 A112 | Y66-M108 HydrophobicContact CE1-CB 3.76Å; H104-M108 WeakPolarHBondContact O-CG 3.45Å; H104-M108 PolarHBondContact O-N 2.84Å; K105-M108 PolarHBondContact O-N 2.91Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 PolarHBondContact O-N 3.23Å; M108-K111 WeakPolarHBondContact O-CB 3.37Å; M108-K111 PolarHBondContact O-N 3.28Å; M108-A112 WeakPolarHBondContact O-CB 3.44Å; M108-A112 PolarHBondContact O-N 3.45Å |
| 109 | Y | 90.1 | Very high | 88.3 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 12% | 0.122 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 173.8 | 178.5 | -113.5 | 0 | 0 | 0 | 111.9 | L60 Y66 I69 A70 V75 K105 L106 K111 A112 T113 | L60-Y109 HydrophobicContact CD1-CE2 3.99Å; Y66-Y109 HydrophobicContact CD1-CD2 4.43Å; Y66-Y109 HydrophobicContact CD2-CD2 4.04Å; Y66-Y109 AromaticContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CG 4.27Å; I69-Y109 HydrophobicContact CB-CD1 4.34Å; I69-Y109 HydrophobicContact CB-CG 4.4Å; I69-Y109 HydrophobicContact CG2-CD1 3.6Å; I69-Y109 HydrophobicContact CG2-CE1 4.29Å; I69-Y109 HydrophobicContact CG2-CG 4.05Å; A70-Y109 HydrophobicContact CB-CE1 4.49Å; A70-Y109 HydrophobicContact CB-CE2 4.1Å; V75-Y109 HydrophobicContact CB-CE1 4.44Å; K105-Y109 WeakPolarHBondContact O-CB 3.47Å; K105-Y109 PolarHBondContact O-N 3.14Å; L106-Y109 WeakPolarHBondContact O-CB 3.25Å; L106-Y109 PolarHBondContact O-N 3.49Å; L106-Y109 VanDerWaalsContact O-N 3.1Å; Y109-K111 VanDerWaalsContact C-N 3.31Å; Y109-K111 PolarHBondContact O-N 3.15Å; Y109-A112 PolarHBondContact O-N 3.17Å; Y109-T113 WeakPolarHBondContact O-CB 3.46Å; Y109-T113 PolarHBondContact O-N 2.9Å; Y109-T113 PolarHBondContact O-OG1 2.91Å |
| 110 | L | 90.5 | Very high | 88.8 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 173.4 | -66 | -174.6 | 0 | 0 | 0 | 111.4 | V75 F90 L106 L107 T113 L114 F149 | V75-L110 HydrophobicContact CB-CD2 4.12Å; V75-L110 HydrophobicContact CG2-CD2 3.1Å; F90-L110 HydrophobicContact CD1-CD2 3.99Å; F90-L110 HydrophobicContact CE1-CD1 3.87Å; F90-L110 HydrophobicContact CE1-CD2 3.27Å; F90-L110 HydrophobicContact CE1-CG 4.06Å; F90-L110 HydrophobicContact CZ-CD2 4.05Å; L106-L110 HydrophobicContact CD1-CD2 4.23Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.4Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.38Å; L107-L110 WeakPolarHBondContact O-CB 3.3Å; L107-L110 PolarHBondContact O-N 3.37Å; L110-T113 PolarHBondContact O-N 3.45Å; L110-L114 WeakPolarHBondContact O-CB 3.31Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.25Å; L110-L114 PolarHBondContact O-N 2.96Å; L110-F149 HydrophobicContact CB-CZ 3.9Å |
| 111 | K | 90.3 | Very high | 89.3 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 178.4 | -164.9 | -179.4 | 179.2 | 178.1 | 0 | 111.5 | L107 M108 Y109 T113 L114 D115 E148 F149 Y153 | L107-K111 WeakPolarHBondContact O-CB 3.43Å; L107-K111 PolarHBondContact O-N 3.39Å; M108-K111 WeakPolarHBondContact O-CB 3.37Å; M108-K111 PolarHBondContact O-N 3.28Å; Y109-K111 VanDerWaalsContact C-N 3.31Å; Y109-K111 PolarHBondContact O-N 3.15Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 2.95Å; K111-L114 PolarHBondContact O-N 3.07Å; K111-D115 WeakPolarHBondContact O-CB 3.43Å; K111-D115 VanDerWaalsContact O-CG 3.28Å; K111-D115 PolarHBondContact O-N 3.43Å; K111-E148 HydrophobicContact CD-CG 4.36Å; K111-E148 IonicContact NZ-OE1 2.75Å; K111-E148 PolarHBondContact NZ-OE1 3.02Å; K111-F149 HydrophobicContact CB-CE1 4.38Å; K111-Y153 WeakPolarHBondContact CE-OH 3.29Å; K111-Y153 HydrophobicContact CG-CE1 4.18Å; K111-Y153 WeakPolarHBondContact CG-OH 3.34Å |
| 112 | A | 88.9 | Confident | 89.7 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 31% | 0.314 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -33.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y66 M108 Y109 Q116 | Y66-A112 HydrophobicContact CE2-CB 4.29Å; M108-A112 WeakPolarHBondContact O-CB 3.44Å; M108-A112 PolarHBondContact O-N 3.45Å; Y109-A112 PolarHBondContact O-N 3.17Å; A112-Q116 PolarHBondContact O-NE2 3.48Å; A112-Q116 VanDerWaalsContact O-NE2 3.12Å |
| 113 | T | 89.4 | Confident | 90 | Very high | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.2 | -48.8 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | V75 V77 Y109 L110 K111 D115 Q116 Y117 | V75-T113 HydrophobicContact CG1-CG2 3.97Å; V77-T113 HydrophobicContact CG2-CG2 4.32Å; Y109-T113 WeakPolarHBondContact O-CB 3.46Å; Y109-T113 PolarHBondContact O-N 2.9Å; Y109-T113 PolarHBondContact O-OG1 2.91Å; L110-T113 PolarHBondContact O-N 3.45Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 2.95Å; T113-D115 PolarHBondContact O-N 3.36Å; T113-Q116 PolarHBondContact O-N 3.32Å; T113-Y117 VanDerWaalsContact O-CD2 3.23Å; T113-Y117 WeakPolarHBondContact O-CD2 3.15Å |
| 114 | L | 90.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -36.8 | -179.3 | -73.7 | 169.7 | 0 | 0 | 0 | 112.4 | I88 F90 L110 K111 Q116 Y117 V118 Y122 L124 F149 Y153 | I88-L114 HydrophobicContact CD1-CD2 3.54Å; F90-L114 HydrophobicContact CZ-CD1 4.47Å; L110-L114 WeakPolarHBondContact O-CB 3.31Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.25Å; L110-L114 PolarHBondContact O-N 2.96Å; K111-L114 PolarHBondContact O-N 3.07Å; L114-Q116 PolarHBondContact O-N 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; L114-V118 VanDerWaalsContact C-CG1 3.48Å; L114-V118 HydrophobicContact CB-CG1 3.75Å; L114-V118 WeakPolarHBondContact O-CG1 3.37Å; L114-V118 PolarHBondContact O-N 2.95Å; L114-Y122 HydrophobicContact CD2-CE2 3.82Å; L114-L124 HydrophobicContact CD2-CD2 4.27Å; L114-F149 HydrophobicContact CD1-CD1 4.08Å; L114-F149 HydrophobicContact CD1-CE1 3.48Å; L114-F149 VanDerWaalsContact CD1-CE1 3.48Å; L114-F149 HydrophobicContact CD1-CZ 3.99Å; L114-Y153 HydrophobicContact CB-CD1 3.88Å; L114-Y153 HydrophobicContact CB-CE1 3.97Å; L114-Y153 HydrophobicContact CD1-CD1 4.26Å |
| 115 | D | 91.6 | Very high | 90.7 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24 | 179.6 | -81.5 | -29.6 | 0 | 0 | 0 | 113.1 | K111 T113 Y117 K152 Y153 | K111-D115 WeakPolarHBondContact O-CB 3.43Å; K111-D115 VanDerWaalsContact O-CG 3.28Å; K111-D115 PolarHBondContact O-N 3.43Å; T113-D115 PolarHBondContact O-N 3.36Å; D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.4Å; D115-K152 IonicContact OD1-NZ 3.91Å; D115-K152 PolarHBondContact OD1-NZ 3.23Å; D115-K152 IonicContact OD2-NZ 2.88Å; D115-Y153 VanDerWaalsContact OD1-CE1 3.31Å; D115-Y153 WeakPolarHBondContact OD1-CE1 3.4Å; D115-Y153 VanDerWaalsContact OD1-CZ 3.32Å; D115-Y153 PolarHBondContact OD1-OH 2.99Å; D115-Y153 PolarHBondContact OD2-OH 3.37Å |
| 116 | Q | 89.8 | Confident | 90.9 | Very high | 135 Ų | 135 | 41.9 Ų | 41.9 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.6 | 175.1 | -63.8 | 169.6 | 52.5 | 0 | 0 | 113.8 | A112 T113 L114 | A112-Q116 PolarHBondContact O-NE2 3.48Å; A112-Q116 VanDerWaalsContact O-NE2 3.12Å; T113-Q116 PolarHBondContact O-N 3.32Å; L114-Q116 PolarHBondContact O-N 3.39Å |
| 117 | Y | 89.7 | Confident | 91 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 21% | 0.208 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -19.4 | -169.9 | -56.2 | -73.9 | 0 | 0 | 0 | 114.3 | V77 K86 I88 T113 L114 D115 E119 S120 | V77-Y117 HydrophobicContact CG1-CE1 4.3Å; V77-Y117 HydrophobicContact CG1-CE2 4.38Å; V77-Y117 HydrophobicContact CG2-CD2 4.49Å; V77-Y117 HydrophobicContact CG2-CE2 3.63Å; K86-Y117 HydrophobicContact CB-CD1 4.08Å; K86-Y117 HydrophobicContact CD-CD1 4.3Å; K86-Y117 HydrophobicContact CD-CE1 4.06Å; K86-Y117 HydrophobicContact CG-CD1 3.78Å; K86-Y117 HydrophobicContact CG-CE1 4.06Å; I88-Y117 HydrophobicContact CD1-CD2 3.89Å; I88-Y117 HydrophobicContact CD1-CG 4.18Å; T113-Y117 VanDerWaalsContact O-CD2 3.23Å; T113-Y117 WeakPolarHBondContact O-CD2 3.15Å; L114-Y117 PolarHBondContact O-N 3.08Å; D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.4Å; Y117-E119 PolarHBondContact O-N 3.44Å; Y117-E119 VanDerWaalsContact O-N 3.09Å; Y117-S120 PolarHBondContact O-N 3.41Å |
| 118 | V | 89.9 | Confident | 90.9 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.9 | -169.9 | -69.3 | 0 | 0 | 0 | 0 | 115 | L114 S120 Y122 Y153 N156 | L114-V118 VanDerWaalsContact C-CG1 3.48Å; L114-V118 HydrophobicContact CB-CG1 3.75Å; L114-V118 WeakPolarHBondContact O-CG1 3.37Å; L114-V118 PolarHBondContact O-N 2.95Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-Y122 HydrophobicContact CB-CE1 4.38Å; V118-Y122 HydrophobicContact CG1-CE1 4.13Å; V118-Y153 HydrophobicContact CB-CD1 4.37Å; V118-Y153 HydrophobicContact CG1-CD1 3.38Å; V118-Y153 HydrophobicContact CG1-CE1 3.95Å; V118-Y153 HydrophobicContact CG1-CG 4.23Å; V118-N156 PolarHBondContact O-ND2 3.43Å |
| 119 | E | 89.9 | Confident | 90.8 | Very high | 178 Ų | 178 | 39.8 Ų | 39.8 | 83% | 0.832 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23.4 | 176.1 | -62.1 | -165.7 | 157.7 | 0 | 0 | 112.9 | Y117 N156 | Y117-E119 PolarHBondContact O-N 3.44Å; Y117-E119 VanDerWaalsContact O-N 3.09Å; E119-N156 PolarHBondContact O-ND2 3.37Å; E119-N156 VanDerWaalsContact O-ND2 3.07Å |
| 120 | S | 90.2 | Very high | 90.3 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 57% | 0.566 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -101.7 | 164.5 | 177.4 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | Y117 V118 Y122 N156 | Y117-S120 PolarHBondContact O-N 3.41Å; V118-S120 VanDerWaalsContact C-N 3.31Å; S120-Y122 WeakPolarHBondContact O-CD1 3.46Å; S120-N156 WeakPolarHBondContact O-CB 3.41Å |
| 121 | D | 92.9 | Very high | 89.8 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | trans | -69.4 | 131.9 | 172.8 | -72.4 | -24.8 | 0 | 0 | 0 | 110.7 | R85 N156 K158 | R85-D121 WeakPolarHBondContact CB-O 3.34Å; R85-D121 HydrophobicContact CG-CB 4.31Å; D121-N156 WeakPolarHBondContact CA-O 3.46Å; D121-K158 HydrophobicContact CB-CG 4.18Å; D121-K158 WeakPolarHBondContact OD1-CE 3.46Å; D121-K158 IonicContact OD1-NZ 4Å; D121-K158 PolarHBondContact OD1-NZ 2.96Å; D121-K158 WeakPolarHBondContact OD2-CE 3.22Å; D121-K158 IonicContact OD2-NZ 2.88Å; D121-K158 PolarHBondContact OD2-NZ 3.39Å | ||
| 122 | Y | 92.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 163.5 | -176.5 | 70.5 | -80.6 | 0 | 0 | 0 | 112.8 | K86 I88 L114 V118 S120 L124 Y153 N156 I157 K158 | K86-Y122 WeakPolarHBondContact O-CA 3.44Å; K86-Y122 WeakPolarHBondContact O-CB 3.43Å; I88-Y122 HydrophobicContact CD1-CD2 3.86Å; I88-Y122 HydrophobicContact CD1-CE2 4.15Å; I88-Y122 HydrophobicContact CG1-CD2 4.49Å; L114-Y122 HydrophobicContact CD2-CE2 3.82Å; V118-Y122 HydrophobicContact CB-CE1 4.38Å; V118-Y122 HydrophobicContact CG1-CE1 4.13Å; S120-Y122 WeakPolarHBondContact O-CD1 3.46Å; Y122-L124 HydrophobicContact CD2-CD2 3.89Å; Y122-L124 HydrophobicContact CD2-CG 4.18Å; Y122-L124 HydrophobicContact CE2-CD1 4.29Å; Y122-L124 HydrophobicContact CE2-CD2 3.61Å; Y122-L124 HydrophobicContact CE2-CG 3.82Å; Y122-Y153 PolarHBondContact OH-O 3.5Å; Y122-N156 HydrophobicContact CD1-CB 4.32Å; Y122-N156 HydrophobicContact CE1-CB 4.29Å; Y122-N156 PolarHBondContact N-O 3.34Å; Y122-N156 VanDerWaalsContact N-O 3.15Å; Y122-I157 HydrophobicContact CD1-CG1 4.49Å; Y122-I157 HydrophobicContact CD2-CG1 4.25Å; Y122-I157 HydrophobicContact CE1-CG1 3.8Å; Y122-I157 HydrophobicContact CE2-CD1 4.17Å; Y122-I157 HydrophobicContact CE2-CG1 3.52Å; Y122-I157 CarbonylContact O-C 3.43Å; Y122-I157 WeakPolarHBondContact O-CA 3.32Å; Y122-I157 WeakPolarHBondContact OH-CG1 3.21Å; Y122-K158 PolarHBondContact O-N 2.95Å |
| 123 | T | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138 | 179.9 | -68.9 | 0 | 0 | 0 | 0 | 109.7 | D81 K86 V87 I88 A159 Y161 | D81-T123 PolarHBondContact OD2-OG1 3.36Å; K86-T123 PolarHBondContact O-N 3.33Å; V87-T123 WeakPolarHBondContact CA-O 3.35Å; I88-T123 PolarHBondContact N-O 3.41Å; T123-A159 HydrophobicContact CG2-CB 4.38Å; T123-Y161 HydrophobicContact CG2-CD2 3.73Å; T123-Y161 HydrophobicContact CG2-CE2 3.6Å |
| 124 | L | 93.8 | Very high | 88 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.9 | 174.3 | -68.7 | -173.1 | 0 | 0 | 0 | 110.5 | I88 F90 L114 Y122 I157 A159 L160 Y161 | I88-L124 HydrophobicContact CB-CD2 3.68Å; I88-L124 HydrophobicContact CD1-CD2 4.43Å; I88-L124 HydrophobicContact CG1-CD2 4.48Å; I88-L124 HydrophobicContact CG2-CD2 4.22Å; I88-L124 WeakPolarHBondContact O-CA 3.19Å; F90-L124 HydrophobicContact CD2-CD2 4.48Å; F90-L124 HydrophobicContact CE2-CD2 3.83Å; L114-L124 HydrophobicContact CD2-CD2 4.27Å; Y122-L124 HydrophobicContact CD2-CD2 3.89Å; Y122-L124 HydrophobicContact CD2-CG 4.18Å; Y122-L124 HydrophobicContact CE2-CD1 4.29Å; Y122-L124 HydrophobicContact CE2-CD2 3.61Å; Y122-L124 HydrophobicContact CE2-CG 3.82Å; L124-I157 HydrophobicContact CD1-CD1 3.56Å; L124-I157 HydrophobicContact CD1-CG1 4.18Å; L124-I157 HydrophobicContact CG-CD1 4.27Å; L124-I157 HydrophobicContact CG-CG1 4.36Å; L124-A159 PolarHBondContact N-O 3.21Å; L124-L160 HydrophobicContact CB-CB 4.44Å; L124-L160 HydrophobicContact CB-CD1 3.48Å; L124-L160 VanDerWaalsContact CB-CD1 3.48Å; L124-L160 HydrophobicContact CD1-CD1 4.18Å; L124-L160 HydrophobicContact CG-CD1 4.48Å; L124-L160 CarbonylContact O-C 3.58Å; L124-L160 WeakPolarHBondContact O-CA 3.49Å; L124-Y161 PolarHBondContact O-N 3.01Å |
| 125 | I | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.7 | 169.9 | -56.6 | 174.5 | 0 | 0 | 0 | 107.8 | V87 I88 V89 F90 F127 Y161 V163 L197 V201 L206 | V87-I125 HydrophobicContact CG1-CD1 3.47Å; V87-I125 VanDerWaalsContact CG1-CD1 3.47Å; V87-I125 HydrophobicContact CG1-CG1 3.93Å; I88-I125 PolarHBondContact O-N 3.02Å; V89-I125 CarbonylContact C-O 3.52Å; V89-I125 WeakPolarHBondContact CA-O 3.5Å; V89-I125 HydrophobicContact CG2-CB 4.34Å; V89-I125 HydrophobicContact CG2-CD1 4.47Å; F90-I125 PolarHBondContact N-O 3.15Å; I125-F127 HydrophobicContact CG2-CD2 4.21Å; I125-F127 HydrophobicContact CG2-CE1 4.34Å; I125-F127 HydrophobicContact CG2-CE2 3.84Å; I125-F127 HydrophobicContact CG2-CZ 3.9Å; I125-Y161 CarbonylContact C-O 3.6Å; I125-Y161 WeakPolarHBondContact CA-O 3.45Å; I125-Y161 HydrophobicContact CG1-CD2 4.27Å; I125-V163 HydrophobicContact CG2-CG2 3.8Å; I125-L197 HydrophobicContact CD1-CD1 4.19Å; I125-L197 HydrophobicContact CD1-CD2 4.44Å; I125-L197 HydrophobicContact CG2-CD2 4.32Å; I125-V201 HydrophobicContact CD1-CB 4.44Å; I125-V201 HydrophobicContact CD1-CG1 4.27Å; I125-V201 HydrophobicContact CD1-CG2 4.09Å; I125-L206 HydrophobicContact CD1-CD1 3.85Å; I125-L206 HydrophobicContact CD1-CD2 3.84Å |
| 126 | Y | 93.8 | Very high | 87.1 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 18% | 0.18 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 106.2 | 175.9 | 174 | -119.6 | 0 | 0 | 0 | 109.3 | F90 A92 H128 L131 Y161 I162 V163 I169 | F90-Y126 HydrophobicContact CB-CD2 3.79Å; F90-Y126 WeakPolarHBondContact O-CA 3.46Å; A92-Y126 HydrophobicContact CB-CE2 3.84Å; Y126-H128 HydrophobicContact CD1-CB 4.12Å; Y126-H128 HydrophobicContact CE1-CB 3.62Å; Y126-H128 AromaticContact CE1-CG 3.87Å; Y126-H128 AromaticContact CE1-ND1 3.41Å; Y126-H128 WeakPolarHBondContact CE1-ND1 3.31Å; Y126-H128 AromaticContact CZ-ND1 3.66Å; Y126-H128 PolarHBondContact O-N 2.96Å; Y126-H128 PolarHBondContact OH-ND1 3.31Å; Y126-H128 VanDerWaalsContact OH-ND1 3.12Å; Y126-L131 WeakPolarHBondContact OH-CD1 3.28Å; Y126-Y161 PolarHBondContact N-O 3.41Å; Y126-I162 HydrophobicContact CD1-CG1 4.28Å; Y126-I162 HydrophobicContact CD1-CG2 3.99Å; Y126-V163 PolarHBondContact O-N 3.25Å; Y126-I169 HydrophobicContact CE1-CD1 4.34Å; Y126-I169 HydrophobicContact CE1-CG1 4.32Å |
| 127 | F | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 103.3 | 171.1 | -68.7 | -70.6 | 0 | 0 | 0 | 108.9 | V89 F90 N91 A92 I125 V163 L194 L197 I208 V212 | V89-F127 HydrophobicContact CG1-CD2 3.54Å; V89-F127 HydrophobicContact CG1-CE2 3.51Å; F90-F127 PolarHBondContact O-N 3.42Å; N91-F127 VanDerWaalsContact OD1-CD2 3.23Å; N91-F127 WeakPolarHBondContact OD1-CD2 3.48Å; A92-F127 WeakPolarHBondContact CB-O 3.3Å; A92-F127 PolarHBondContact N-O 3.12Å; I125-F127 HydrophobicContact CG2-CD2 4.21Å; I125-F127 HydrophobicContact CG2-CE1 4.34Å; I125-F127 HydrophobicContact CG2-CE2 3.84Å; I125-F127 HydrophobicContact CG2-CZ 3.9Å; F127-V163 HydrophobicContact CD1-CB 3.58Å; F127-V163 HydrophobicContact CD1-CG1 3.68Å; F127-V163 HydrophobicContact CD1-CG2 3.9Å; F127-V163 HydrophobicContact CE1-CB 3.92Å; F127-V163 HydrophobicContact CE1-CG1 3.79Å; F127-V163 HydrophobicContact CE1-CG2 3.82Å; F127-V163 HydrophobicContact CG-CB 4.49Å; F127-L194 HydrophobicContact CD1-CD2 4.5Å; F127-L194 HydrophobicContact CE1-CD2 3.72Å; F127-L197 HydrophobicContact CE1-CD2 3.93Å; F127-L197 HydrophobicContact CZ-CD2 3.81Å; F127-I208 HydrophobicContact CE1-CG2 4.23Å; F127-I208 HydrophobicContact CZ-CD1 4.4Å; F127-I208 HydrophobicContact CZ-CG1 3.95Å; F127-I208 HydrophobicContact CZ-CG2 4.22Å; F127-V212 HydrophobicContact CB-CG2 4.2Å; F127-V212 HydrophobicContact CD1-CG1 3.63Å; F127-V212 HydrophobicContact CD1-CG2 4.49Å; F127-V212 HydrophobicContact CE1-CG1 4.07Å; F127-V212 HydrophobicContact CG-CG1 4.37Å; F127-V212 HydrophobicContact CG-CG2 4.45Å |
| 128 | H | 88.6 | Confident | 86.3 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | trans | -80.2 | -27.9 | -171.6 | 178.5 | 64.8 | 0 | 0 | 0 | 113.6 | Y126 G130 I162 V163 H164 T166 | Y126-H128 HydrophobicContact CD1-CB 4.12Å; Y126-H128 HydrophobicContact CE1-CB 3.62Å; Y126-H128 AromaticContact CE1-CG 3.87Å; Y126-H128 AromaticContact CE1-ND1 3.41Å; Y126-H128 WeakPolarHBondContact CE1-ND1 3.31Å; Y126-H128 AromaticContact CZ-ND1 3.66Å; Y126-H128 PolarHBondContact O-N 2.96Å; Y126-H128 PolarHBondContact OH-ND1 3.31Å; Y126-H128 VanDerWaalsContact OH-ND1 3.12Å; H128-G130 PolarHBondContact O-N 3.2Å; H128-I162 HydrophobicContact CB-CG2 4.4Å; H128-V163 WeakPolarHBondContact CB-O 3.46Å; H128-V163 PolarHBondContact N-O 2.97Å; H128-H164 PolarHBondContact CD2-O 2.92Å; H128-T166 PolarHBondContact CD2-N 2.87Å; H128-T166 WeakPolarHBondContact NE2-CB 3.35Å; H128-T166 VanDerWaalsContact NE2-CG2 3.32Å; H128-T166 WeakPolarHBondContact NE2-CG2 3.47Å; H128-T166 PolarHBondContact NE2-OG1 3.08Å | ||
| 129 | N | 86.2 | Confident | 85.6 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 140.9 | -179 | -179.4 | 48 | 0 | 0 | 0 | 111.6 | C93 H164 R211 Y215 | C93-N129 WeakPolarHBondContact CA-O 3.36Å; C93-N129 VanDerWaalsContact CB-O 3.26Å; C93-N129 WeakPolarHBondContact CB-O 3.33Å; C93-N129 PolarHBondContact N-O 3.31Å; C93-N129 VanDerWaalsContact N-O 3.15Å; N129-H164 HydrophobicContact CB-CB 4.4Å; N129-R211 PolarHBondContact ND2-O 2.9Å; N129-R211 VanDerWaalsContact ND2-O 3.07Å; N129-Y215 HydrophobicContact CB-CD1 4.24Å; N129-Y215 HydrophobicContact CB-CG 4.36Å; N129-Y215 VanDerWaalsContact ND2-CB 3.28Å; N129-Y215 WeakPolarHBondContact ND2-CB 3.32Å; N129-Y215 WeakPolarHBondContact OD1-CD2 3.23Å |
| 130 | G | 80.3 | Confident | 85 | Confident | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 2.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | H128 N135 | H128-G130 PolarHBondContact O-N 3.2Å; G130-N135 PolarHBondContact O-ND2 2.84Å |
| 131 | L | 79.8 | Confident | 84.7 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | trans | -74.5 | 132.7 | 165.5 | -73 | -172.5 | 0 | 0 | 0 | 112 | A92 M95 Y126 N135 | A92-L131 HydrophobicContact CB-CD1 4.48Å; A92-L131 HydrophobicContact CB-CD2 3.96Å; A92-L131 HydrophobicContact CB-CG 3.81Å; M95-L131 HydrophobicContact CE-CD2 3.48Å; M95-L131 VanDerWaalsContact CE-CD2 3.48Å; Y126-L131 WeakPolarHBondContact OH-CD1 3.28Å; L131-N135 VanDerWaalsContact CA-OD1 3.31Å; L131-N135 WeakPolarHBondContact CA-OD1 3.41Å; L131-N135 WeakPolarHBondContact CD2-OD1 3.5Å | ||
| 132 | T | 76.9 | Confident | 84.2 | Confident | 70 Ų | 70 | 41.8 Ų | 41.8 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | trans | -127.3 | 177.1 | 174.4 | 70.4 | 0 | 0 | 0 | 0 | 109.8 | E134 N135 K136 | T132-E134 PolarHBondContact O-N 2.83Å; T132-E134 PolarHBondContact OG1-N 3.42Å; T132-N135 PolarHBondContact N-OD1 2.91Å; T132-N135 PolarHBondContact O-N 3.15Å; T132-N135 PolarHBondContact O-OD1 2.9Å; T132-K136 WeakPolarHBondContact O-CB 3.11Å; T132-K136 VanDerWaalsContact O-CG 3.3Å; T132-K136 WeakPolarHBondContact O-CG 3.3Å; T132-K136 PolarHBondContact O-N 2.69Å; T132-K136 VanDerWaalsContact O-N 3.13Å | ||
| 133 | S | 76 | Confident | 83.5 | Confident | 92 Ų | 92 | 47 Ų | 47 | 64% | 0.643 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.3 | 172.4 | 46.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 134 | E | 77.6 | Confident | 82.9 | Confident | 128 Ų | 128 | 50.5 Ų | 50.5 | 60% | 0.598 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -19 | -173.5 | -61 | -177.6 | 164.6 | 0 | 0 | 113.7 | P97 H98 T132 | P97-E134 CarbonylContact C-O 3.29Å; P97-E134 VanDerWaalsContact CA-O 3.26Å; P97-E134 WeakPolarHBondContact CA-O 3.45Å; H98-E134 VanDerWaalsContact CD2-C 3.42Å; H98-E134 PolarHBondContact CD2-O 3.37Å; H98-E134 PolarHBondContact N-O 2.96Å; T132-E134 PolarHBondContact O-N 2.83Å; T132-E134 PolarHBondContact OG1-N 3.42Å |
| 135 | N | 81 | Confident | 82.4 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -7.3 | -177.2 | 68 | 11.2 | 0 | 0 | 0 | 114.2 | M95 P96 H98 G130 L131 T132 P137 | M95-N135 HydrophobicContact CB-CB 4.49Å; M95-N135 PolarHBondContact O-ND2 3.36Å; P96-N135 WeakPolarHBondContact O-CB 3.39Å; H98-N135 VanDerWaalsContact NE2-C 3.29Å; G130-N135 PolarHBondContact O-ND2 2.84Å; L131-N135 VanDerWaalsContact CA-OD1 3.31Å; L131-N135 WeakPolarHBondContact CA-OD1 3.41Å; L131-N135 WeakPolarHBondContact CD2-OD1 3.5Å; T132-N135 PolarHBondContact N-OD1 2.91Å; T132-N135 PolarHBondContact O-N 3.15Å; T132-N135 PolarHBondContact O-OD1 2.9Å; N135-P137 WeakPolarHBondContact O-CD 3.22Å |
| 136 | K | 82.1 | Confident | 81.8 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 39% | 0.391 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 121.5 | -177.3 | 67.2 | -178 | -173.1 | 176.2 | 0 | 112 | H98 T132 S138 | H98-K136 PolarHBondContact CE1-O 3.22Å; H98-K136 PolarHBondContact NE2-N 2.97Å; H98-K136 PolarHBondContact NE2-O 3.22Å; T132-K136 WeakPolarHBondContact O-CB 3.11Å; T132-K136 VanDerWaalsContact O-CG 3.3Å; T132-K136 WeakPolarHBondContact O-CG 3.3Å; T132-K136 PolarHBondContact O-N 2.69Å; T132-K136 VanDerWaalsContact O-N 3.13Å; K136-S138 PolarHBondContact O-N 2.85Å |
| 137 | P | 79.9 | Confident | 81.2 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 143.9 | -180 | -21.8 | 31.5 | 0 | 0 | 0 | 112.8 | M95 N135 W141 L142 | M95-P137 HydrophobicContact CE-CG 3.82Å; N135-P137 WeakPolarHBondContact O-CD 3.22Å; P137-W141 HydrophobicContact CB-CD2 3.99Å; P137-W141 HydrophobicContact CB-CE3 3.21Å; P137-W141 HydrophobicContact CB-CZ3 3.53Å; P137-W141 HydrophobicContact CG-CE3 3.98Å; P137-W141 HydrophobicContact CG-CH2 4.45Å; P137-W141 HydrophobicContact CG-CZ3 3.73Å; P137-L142 HydrophobicContact CB-CD2 4.29Å; P137-L142 HydrophobicContact CB-CG 4.18Å |
| 138 | S | 81.9 | Confident | 80.8 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 155.4 | 178.9 | 69 | 0 | 0 | 0 | 0 | 111.3 | K136 S140 W141 L142 | K136-S138 PolarHBondContact O-N 2.85Å; S138-S140 VanDerWaalsContact C-N 3.26Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-S140 PolarHBondContact OG-OG 2.96Å; S138-W141 PolarHBondContact O-N 3.07Å; S138-W141 WeakPolarHBondContact OG-CB 3.22Å; S138-W141 PolarHBondContact OG-N 3.25Å; S138-L142 WeakPolarHBondContact O-CG 3.45Å; S138-L142 PolarHBondContact O-N 3.26Å |
| 139 | L | 75.9 | Confident | 80.8 | Confident | 101 Ų | 101 | 63.7 Ų | 63.7 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | 177.5 | -68.2 | 176.1 | 0 | 0 | 0 | 112.4 | L142 R143 L172 | L139-L142 HydrophobicContact CD2-CD1 4.33Å; L139-L142 PolarHBondContact O-N 3.24Å; L139-R143 WeakPolarHBondContact O-CB 3.19Å; L139-R143 PolarHBondContact O-N 2.89Å; L139-R143 VanDerWaalsContact O-N 3.08Å; L139-L172 HydrophobicContact CD2-CD1 3.35Å |
| 140 | S | 76.7 | Confident | 80.6 | Confident | 64 Ų | 64 | 66 Ų | 66 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 174 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | S138 L142 R143 D144 | S138-S140 VanDerWaalsContact C-N 3.26Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-S140 PolarHBondContact OG-OG 2.96Å; S140-L142 PolarHBondContact O-N 3.47Å; S140-R143 WeakPolarHBondContact O-CB 3.42Å; S140-R143 PolarHBondContact O-N 3.01Å; S140-D144 PolarHBondContact O-N 3.49Å |
| 141 | W | 84.7 | Confident | 80.8 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 16% | 0.163 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 177.4 | -179.1 | 87.6 | 0 | 0 | 0 | 112.5 | H103 L106 L107 P137 S138 R143 D144 A145 | H103-W141 HydrophobicContact CB-CG 4.37Å; H103-W141 PolarHBondContact O-NE1 3.39Å; L106-W141 HydrophobicContact CD2-CH2 4.46Å; L106-W141 HydrophobicContact CD2-CZ2 4.23Å; L107-W141 HydrophobicContact CB-CZ2 4.38Å; P137-W141 HydrophobicContact CB-CD2 3.99Å; P137-W141 HydrophobicContact CB-CE3 3.21Å; P137-W141 HydrophobicContact CB-CZ3 3.53Å; P137-W141 HydrophobicContact CG-CE3 3.98Å; P137-W141 HydrophobicContact CG-CH2 4.45Å; P137-W141 HydrophobicContact CG-CZ3 3.73Å; S138-W141 PolarHBondContact O-N 3.07Å; S138-W141 WeakPolarHBondContact OG-CB 3.22Å; S138-W141 PolarHBondContact OG-N 3.25Å; W141-R143 VanDerWaalsContact C-N 3.3Å; W141-R143 PolarHBondContact O-N 3.26Å; W141-D144 PolarHBondContact O-N 2.97Å; W141-D144 VanDerWaalsContact O-N 3.16Å; W141-A145 HydrophobicContact CD2-CB 4.46Å; W141-A145 HydrophobicContact CE3-CB 4.36Å; W141-A145 HydrophobicContact CH2-CB 4.37Å; W141-A145 HydrophobicContact CZ2-CB 4.4Å; W141-A145 HydrophobicContact CZ3-CB 4.34Å; W141-A145 VanDerWaalsContact O-CB 3.32Å; W141-A145 WeakPolarHBondContact O-CB 3.37Å; W141-A145 PolarHBondContact O-N 2.99Å |
| 142 | L | 81.4 | Confident | 81.1 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 20% | 0.204 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 178.6 | -73.9 | 163.9 | 0 | 0 | 0 | 112.1 | P137 S138 L139 S140 Y146 L172 F176 | P137-L142 HydrophobicContact CB-CD2 4.29Å; P137-L142 HydrophobicContact CB-CG 4.18Å; S138-L142 WeakPolarHBondContact O-CG 3.45Å; S138-L142 PolarHBondContact O-N 3.26Å; L139-L142 HydrophobicContact CD2-CD1 4.33Å; L139-L142 PolarHBondContact O-N 3.24Å; S140-L142 PolarHBondContact O-N 3.47Å; L142-Y146 WeakPolarHBondContact O-CB 3.48Å; L142-Y146 PolarHBondContact O-N 3.45Å; L142-L172 HydrophobicContact CD1-CD1 4.07Å; L142-L172 HydrophobicContact CD1-CD2 3.55Å; L142-L172 HydrophobicContact CD1-CG 4.36Å; L142-F176 HydrophobicContact CB-CE2 4.31Å; L142-F176 HydrophobicContact CB-CZ 4.1Å |
| 143 | R | 78.4 | Confident | 81.7 | Confident | 113 Ų | 113 | 73.6 Ų | 73.6 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.1 | -176 | -168.3 | 68.9 | -174.9 | -2 | 111.3 | L139 S140 W141 Y146 R147 F176 | L139-R143 WeakPolarHBondContact O-CB 3.19Å; L139-R143 PolarHBondContact O-N 2.89Å; L139-R143 VanDerWaalsContact O-N 3.08Å; S140-R143 WeakPolarHBondContact O-CB 3.42Å; S140-R143 PolarHBondContact O-N 3.01Å; W141-R143 VanDerWaalsContact C-N 3.3Å; W141-R143 PolarHBondContact O-N 3.26Å; R143-Y146 PolarHBondContact O-N 3.35Å; R143-R147 WeakPolarHBondContact O-CG 3.48Å; R143-R147 PolarHBondContact O-N 3.08Å; R143-R147 VanDerWaalsContact O-N 3.13Å; R143-F176 HydrophobicContact CB-CE1 3.97Å; R143-F176 HydrophobicContact CB-CZ 4.19Å; R143-F176 HydrophobicContact CG-CE1 4.36Å |
| 144 | D | 79.8 | Confident | 82.2 | Confident | 72 Ų | 72 | 71 Ų | 71 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | -177.8 | -61.2 | -15.3 | 0 | 0 | 0 | 110.5 | S140 W141 Y146 R147 E148 | S140-D144 PolarHBondContact O-N 3.49Å; W141-D144 PolarHBondContact O-N 2.97Å; W141-D144 VanDerWaalsContact O-N 3.16Å; D144-Y146 VanDerWaalsContact C-N 3.33Å; D144-Y146 PolarHBondContact O-N 3.45Å; D144-R147 PolarHBondContact O-N 2.85Å; D144-R147 VanDerWaalsContact O-N 3.14Å; D144-E148 PolarHBondContact O-N 3.28Å |
| 145 | A | 83.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L107 W141 R147 E148 F149 | L107-A145 HydrophobicContact CD1-CB 3.72Å; L107-A145 HydrophobicContact CD2-CB 4.32Å; W141-A145 HydrophobicContact CD2-CB 4.46Å; W141-A145 HydrophobicContact CE3-CB 4.36Å; W141-A145 HydrophobicContact CH2-CB 4.37Å; W141-A145 HydrophobicContact CZ2-CB 4.4Å; W141-A145 HydrophobicContact CZ3-CB 4.34Å; W141-A145 VanDerWaalsContact O-CB 3.32Å; W141-A145 WeakPolarHBondContact O-CB 3.37Å; W141-A145 PolarHBondContact O-N 2.99Å; A145-R147 VanDerWaalsContact C-N 3.29Å; A145-R147 PolarHBondContact O-N 3.25Å; A145-E148 PolarHBondContact O-N 3.45Å; A145-F149 WeakPolarHBondContact O-CD2 3.28Å; A145-F149 PolarHBondContact O-N 3.02Å; A145-F149 VanDerWaalsContact O-N 3.16Å |
| 146 | Y | 81.2 | Confident | 83.1 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -34.7 | 177.7 | -180 | -97.3 | 0 | 0 | 0 | 113.4 | L142 R143 D144 K154 L179 I180 | L142-Y146 WeakPolarHBondContact O-CB 3.48Å; L142-Y146 PolarHBondContact O-N 3.45Å; R143-Y146 PolarHBondContact O-N 3.35Å; D144-Y146 VanDerWaalsContact C-N 3.33Å; D144-Y146 PolarHBondContact O-N 3.45Å; Y146-K154 VanDerWaalsContact CE2-CE 3.43Å; Y146-K154 PolarHBondContact O-NZ 2.91Å; Y146-K154 PolarHBondContact OH-NZ 3.47Å; Y146-L179 HydrophobicContact CD1-CB 4.14Å; Y146-L179 HydrophobicContact CE1-CB 3.74Å; Y146-L179 VanDerWaalsContact CE1-O 3.24Å; Y146-L179 WeakPolarHBondContact CE1-O 3.38Å; Y146-L179 PolarHBondContact OH-O 3.5Å; Y146-I180 HydrophobicContact CE2-CG1 3.99Å; Y146-I180 WeakPolarHBondContact OH-CA 3.32Å |
| 147 | R | 81.1 | Confident | 83.6 | Confident | 174 Ų | 174 | 67.8 Ų | 67.8 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.1 | -37.8 | 176.2 | -74.1 | -178.8 | 176 | -154.5 | -0.4 | 111.8 | R143 D144 A145 F149 | R143-R147 WeakPolarHBondContact O-CG 3.48Å; R143-R147 PolarHBondContact O-N 3.08Å; R143-R147 VanDerWaalsContact O-N 3.13Å; D144-R147 PolarHBondContact O-N 2.85Å; D144-R147 VanDerWaalsContact O-N 3.14Å; A145-R147 VanDerWaalsContact C-N 3.29Å; A145-R147 PolarHBondContact O-N 3.25Å; R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 3.04Å |
| 148 | E | 84.9 | Confident | 84.1 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 179.1 | -165.8 | 60.9 | -153.5 | 0 | 0 | 112.2 | L107 K111 D144 A145 D150 | L107-E148 HydrophobicContact CD1-CB 4.46Å; L107-E148 HydrophobicContact CD2-CB 4.12Å; L107-E148 HydrophobicContact CD2-CG 4.14Å; L107-E148 HydrophobicContact CG-CG 4.35Å; K111-E148 HydrophobicContact CD-CG 4.36Å; K111-E148 IonicContact NZ-OE1 2.75Å; K111-E148 PolarHBondContact NZ-OE1 3.02Å; D144-E148 PolarHBondContact O-N 3.28Å; A145-E148 PolarHBondContact O-N 3.45Å; E148-D150 PolarHBondContact O-N 3.45Å |
| 149 | F | 86.8 | Confident | 84.5 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -80.6 | 83.7 | 172.6 | -64.7 | -62.3 | 0 | 0 | 0 | 111.4 | L107 L110 K111 L114 A145 R147 Y153 K154 | L107-F149 HydrophobicContact CD1-CD2 4.46Å; L107-F149 HydrophobicContact CD1-CE2 3.58Å; L107-F149 HydrophobicContact CD1-CZ 3.81Å; L110-F149 HydrophobicContact CB-CZ 3.9Å; K111-F149 HydrophobicContact CB-CE1 4.38Å; L114-F149 HydrophobicContact CD1-CD1 4.08Å; L114-F149 HydrophobicContact CD1-CE1 3.48Å; L114-F149 VanDerWaalsContact CD1-CE1 3.48Å; L114-F149 HydrophobicContact CD1-CZ 3.99Å; A145-F149 WeakPolarHBondContact O-CD2 3.28Å; A145-F149 PolarHBondContact O-N 3.02Å; A145-F149 VanDerWaalsContact O-N 3.16Å; R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 3.04Å; F149-Y153 HydrophobicContact CB-CD2 4.11Å; F149-Y153 HydrophobicContact CB-CG 4.23Å; F149-Y153 AromaticContact CD1-CD1 3.7Å; F149-Y153 HydrophobicContact CD1-CD1 3.7Å; F149-Y153 AromaticContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CE1 4.08Å; F149-Y153 HydrophobicContact CD1-CE2 4.12Å; F149-Y153 AromaticContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CE1-CD1 4.19Å; F149-Y153 HydrophobicContact CE1-CE1 4.3Å; F149-Y153 HydrophobicContact CG-CD2 4.49Å; F149-Y153 HydrophobicContact CG-CG 4.39Å; F149-K154 WeakPolarHBondContact O-CE 3.5Å; F149-K154 PolarHBondContact O-NZ 2.72Å |
| 150 | D | 83.3 | Confident | 85.3 | Confident | 81 Ų | 81 | 65.2 Ų | 65.2 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | trans | -66.8 | -165.6 | 177.9 | 73.9 | 25.7 | 0 | 0 | 0 | 114.2 | E148 K152 Y153 K154 | E148-D150 PolarHBondContact O-N 3.45Å; D150-K152 PolarHBondContact O-N 3.47Å; D150-K152 WeakPolarHBondContact OD1-CB 3.24Å; D150-K152 WeakPolarHBondContact OD1-CG 3.35Å; D150-K152 PolarHBondContact OD1-N 3.41Å; D150-Y153 PolarHBondContact O-N 3.23Å; D150-K154 PolarHBondContact O-N 2.82Å | ||
| 151 | R | 83.9 | Confident | 86.1 | Confident | 201 Ų | 201 | 63.3 Ų | 63.3 | 76% | 0.758 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -57.1 | -33.3 | -178.4 | -174.9 | 177.3 | 178.8 | -176.4 | -1.3 | 113.4 | Y153 K154 K155 | R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.21Å; R151-K154 PolarHBondContact O-N 3.43Å; R151-K155 WeakPolarHBondContact O-CB 3.42Å; R151-K155 PolarHBondContact O-N 3.01Å |
| 152 | K | 87.1 | Confident | 86.5 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | -173.8 | 83.1 | -171.2 | 167.3 | 140.9 | 0 | 111.4 | D115 D150 | D115-K152 IonicContact OD1-NZ 3.91Å; D115-K152 PolarHBondContact OD1-NZ 3.23Å; D115-K152 IonicContact OD2-NZ 2.88Å; D150-K152 PolarHBondContact O-N 3.47Å; D150-K152 WeakPolarHBondContact OD1-CB 3.24Å; D150-K152 WeakPolarHBondContact OD1-CG 3.35Å; D150-K152 PolarHBondContact OD1-N 3.41Å |
| 153 | Y | 88 | Confident | 86.9 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.8 | -31.7 | 176.1 | -54.6 | -85.2 | 0 | 0 | 0 | 112.8 | K111 L114 D115 V118 Y122 F149 D150 R151 I157 | K111-Y153 WeakPolarHBondContact CE-OH 3.29Å; K111-Y153 HydrophobicContact CG-CE1 4.18Å; K111-Y153 WeakPolarHBondContact CG-OH 3.34Å; L114-Y153 HydrophobicContact CB-CD1 3.88Å; L114-Y153 HydrophobicContact CB-CE1 3.97Å; L114-Y153 HydrophobicContact CD1-CD1 4.26Å; D115-Y153 VanDerWaalsContact OD1-CE1 3.31Å; D115-Y153 WeakPolarHBondContact OD1-CE1 3.4Å; D115-Y153 VanDerWaalsContact OD1-CZ 3.32Å; D115-Y153 PolarHBondContact OD1-OH 2.99Å; D115-Y153 PolarHBondContact OD2-OH 3.37Å; V118-Y153 HydrophobicContact CB-CD1 4.37Å; V118-Y153 HydrophobicContact CG1-CD1 3.38Å; V118-Y153 HydrophobicContact CG1-CE1 3.95Å; V118-Y153 HydrophobicContact CG1-CG 4.23Å; Y122-Y153 PolarHBondContact OH-O 3.5Å; F149-Y153 HydrophobicContact CB-CD2 4.11Å; F149-Y153 HydrophobicContact CB-CG 4.23Å; F149-Y153 AromaticContact CD1-CD1 3.7Å; F149-Y153 HydrophobicContact CD1-CD1 3.7Å; F149-Y153 AromaticContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CE1 4.08Å; F149-Y153 HydrophobicContact CD1-CE2 4.12Å; F149-Y153 AromaticContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CE1-CD1 4.19Å; F149-Y153 HydrophobicContact CE1-CE1 4.3Å; F149-Y153 HydrophobicContact CG-CD2 4.49Å; F149-Y153 HydrophobicContact CG-CG 4.39Å; D150-Y153 PolarHBondContact O-N 3.23Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.21Å; Y153-I157 WeakPolarHBondContact O-CD1 3.35Å; Y153-I157 VanDerWaalsContact O-CG1 3.32Å; Y153-I157 WeakPolarHBondContact O-CG1 3.04Å |
| 154 | K | 87.6 | Confident | 87.4 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -87.8 | -24.2 | -173.6 | -68.7 | 166.5 | 178.1 | 156.6 | 0 | 113.9 | Y146 F149 D150 R151 F184 K187 | Y146-K154 VanDerWaalsContact CE2-CE 3.43Å; Y146-K154 PolarHBondContact O-NZ 2.91Å; Y146-K154 PolarHBondContact OH-NZ 3.47Å; F149-K154 WeakPolarHBondContact O-CE 3.5Å; F149-K154 PolarHBondContact O-NZ 2.72Å; D150-K154 PolarHBondContact O-N 2.82Å; R151-K154 PolarHBondContact O-N 3.43Å; K154-F184 HydrophobicContact CB-CD2 3.87Å; K154-F184 HydrophobicContact CB-CE2 4.1Å; K154-F184 HydrophobicContact CG-CD2 4.05Å; K154-F184 HydrophobicContact CG-CE2 3.99Å; K154-K187 PolarHBondContact O-NZ 3.41Å |
| 155 | K | 86.9 | Confident | 87.6 | Confident | 132 Ų | 132 | 51.7 Ų | 51.7 | 57% | 0.574 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66 | -50.5 | -171.7 | -174.3 | -173.9 | 173 | -167.1 | 0 | 111.9 | R151 K187 | R151-K155 WeakPolarHBondContact O-CB 3.42Å; R151-K155 PolarHBondContact O-N 3.01Å; K155-K187 PolarHBondContact O-NZ 2.94Å |
| 156 | N | 89.9 | Confident | 87.5 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -95.5 | -3.5 | -168.2 | -62.9 | -22.4 | 0 | 0 | 0 | 114.4 | V118 E119 S120 D121 Y122 K158 | V118-N156 PolarHBondContact O-ND2 3.43Å; E119-N156 PolarHBondContact O-ND2 3.37Å; E119-N156 VanDerWaalsContact O-ND2 3.07Å; S120-N156 WeakPolarHBondContact O-CB 3.41Å; D121-N156 WeakPolarHBondContact CA-O 3.46Å; Y122-N156 HydrophobicContact CD1-CB 4.32Å; Y122-N156 HydrophobicContact CE1-CB 4.29Å; Y122-N156 PolarHBondContact N-O 3.34Å; Y122-N156 VanDerWaalsContact N-O 3.15Å; N156-K158 PolarHBondContact O-N 2.57Å |
| 157 | I | 92.5 | Very high | 87.1 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 124.7 | 164.7 | -67.6 | 168.8 | 0 | 0 | 0 | 108.3 | Y122 L124 Y153 F184 K187 | Y122-I157 HydrophobicContact CD1-CG1 4.49Å; Y122-I157 HydrophobicContact CD2-CG1 4.25Å; Y122-I157 HydrophobicContact CE1-CG1 3.8Å; Y122-I157 HydrophobicContact CE2-CD1 4.17Å; Y122-I157 HydrophobicContact CE2-CG1 3.52Å; Y122-I157 CarbonylContact O-C 3.43Å; Y122-I157 WeakPolarHBondContact O-CA 3.32Å; Y122-I157 WeakPolarHBondContact OH-CG1 3.21Å; L124-I157 HydrophobicContact CD1-CD1 3.56Å; L124-I157 HydrophobicContact CD1-CG1 4.18Å; L124-I157 HydrophobicContact CG-CD1 4.27Å; L124-I157 HydrophobicContact CG-CG1 4.36Å; Y153-I157 WeakPolarHBondContact O-CD1 3.35Å; Y153-I157 VanDerWaalsContact O-CG1 3.32Å; Y153-I157 WeakPolarHBondContact O-CG1 3.04Å; I157-F184 HydrophobicContact CB-CE2 4.33Å; I157-F184 HydrophobicContact CD1-CE2 3.71Å; I157-F184 HydrophobicContact CD1-CZ 4.14Å; I157-F184 HydrophobicContact CG2-CE2 4.37Å; I157-K187 HydrophobicContact CB-CD 4.49Å; I157-K187 HydrophobicContact CG2-CD 4.34Å; I157-K187 WeakPolarHBondContact O-CD 3.38Å; I157-K187 WeakPolarHBondContact O-CE 3.2Å; I157-K187 PolarHBondContact O-NZ 3.38Å |
| 158 | K | 91.1 | Very high | 86.8 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -38.6 | 173.3 | -64.5 | -58.2 | 177.8 | -176.5 | 0 | 112.5 | R85 D121 Y122 N156 | R85-K158 VanDerWaalsContact NH1-CB 3.27Å; D121-K158 HydrophobicContact CB-CG 4.18Å; D121-K158 WeakPolarHBondContact OD1-CE 3.46Å; D121-K158 IonicContact OD1-NZ 4Å; D121-K158 PolarHBondContact OD1-NZ 2.96Å; D121-K158 WeakPolarHBondContact OD2-CE 3.22Å; D121-K158 IonicContact OD2-NZ 2.88Å; D121-K158 PolarHBondContact OD2-NZ 3.39Å; Y122-K158 PolarHBondContact O-N 2.95Å; N156-K158 PolarHBondContact O-N 2.57Å |
| 159 | A | 90.2 | Very high | 86.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 143.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T123 L124 Y161 K187 | T123-A159 HydrophobicContact CG2-CB 4.38Å; L124-A159 PolarHBondContact N-O 3.21Å; A159-Y161 HydrophobicContact CB-CD2 4.13Å; A159-Y161 HydrophobicContact CB-CE1 4.38Å; A159-Y161 HydrophobicContact CB-CE2 3.36Å; A159-Y161 VanDerWaalsContact CB-CZ 3.48Å; A159-Y161 WeakPolarHBondContact CB-OH 3.34Å; A159-K187 WeakPolarHBondContact CA-O 3.2Å |
| 160 | L | 92.9 | Very high | 86 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 104.9 | 166.9 | 170.9 | 60.5 | 0 | 0 | 0 | 107.3 | L124 I162 F184 K187 I188 N189 | L124-L160 HydrophobicContact CB-CB 4.44Å; L124-L160 HydrophobicContact CB-CD1 3.48Å; L124-L160 VanDerWaalsContact CB-CD1 3.48Å; L124-L160 HydrophobicContact CD1-CD1 4.18Å; L124-L160 HydrophobicContact CG-CD1 4.48Å; L124-L160 CarbonylContact O-C 3.58Å; L124-L160 WeakPolarHBondContact O-CA 3.49Å; L160-I162 HydrophobicContact CG-CG1 4.33Å; L160-F184 HydrophobicContact CD2-CE1 4.41Å; L160-F184 HydrophobicContact CD2-CZ 4.39Å; L160-K187 PolarHBondContact N-O 2.92Å; L160-I188 HydrophobicContact CD2-CG1 4.05Å; L160-I188 CarbonylContact O-C 3.15Å; L160-I188 WeakPolarHBondContact O-CA 3.36Å; L160-N189 PolarHBondContact O-N 2.91Å |
| 161 | Y | 93.1 | Very high | 85.4 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.6 | 175.8 | -62.4 | -74.5 | 0 | 0 | 0 | 109.7 | T123 L124 I125 Y126 A159 N189 I191 L197 V200 | T123-Y161 HydrophobicContact CG2-CD2 3.73Å; T123-Y161 HydrophobicContact CG2-CE2 3.6Å; L124-Y161 PolarHBondContact O-N 3.01Å; I125-Y161 CarbonylContact C-O 3.6Å; I125-Y161 WeakPolarHBondContact CA-O 3.45Å; I125-Y161 HydrophobicContact CG1-CD2 4.27Å; Y126-Y161 PolarHBondContact N-O 3.41Å; A159-Y161 HydrophobicContact CB-CD2 4.13Å; A159-Y161 HydrophobicContact CB-CE1 4.38Å; A159-Y161 HydrophobicContact CB-CE2 3.36Å; A159-Y161 VanDerWaalsContact CB-CZ 3.48Å; A159-Y161 WeakPolarHBondContact CB-OH 3.34Å; Y161-N189 CarbonylContact C-O 3.57Å; Y161-N189 WeakPolarHBondContact CA-O 2.9Å; Y161-N189 HydrophobicContact CD1-CB 3.53Å; Y161-N189 HydrophobicContact CE1-CB 3.62Å; Y161-I191 HydrophobicContact CD1-CD1 3.94Å; Y161-I191 HydrophobicContact CD1-CG1 3.71Å; Y161-I191 HydrophobicContact CE1-CD1 4.47Å; Y161-I191 HydrophobicContact CG-CG1 4.32Å; Y161-L197 HydrophobicContact CG-CD1 4.27Å; Y161-V200 HydrophobicContact CE1-CG1 4.08Å; Y161-V200 HydrophobicContact CE2-CG1 3.98Å; Y161-V200 VanDerWaalsContact CZ-CG1 3.43Å; Y161-V200 WeakPolarHBondContact OH-CG1 3.44Å |
| 162 | I | 92.9 | Very high | 85 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108 | 172.4 | -61.2 | 178.4 | 0 | 0 | 0 | 107 | Y126 H128 L160 P165 I169 L173 I188 N189 Y190 I191 | Y126-I162 HydrophobicContact CD1-CG1 4.28Å; Y126-I162 HydrophobicContact CD1-CG2 3.99Å; H128-I162 HydrophobicContact CB-CG2 4.4Å; L160-I162 HydrophobicContact CG-CG1 4.33Å; I162-P165 HydrophobicContact CG2-CB 3.84Å; I162-I169 HydrophobicContact CG2-CG1 4.49Å; I162-I169 HydrophobicContact CG2-CG2 4.49Å; I162-L173 HydrophobicContact CD1-CD1 3.37Å; I162-I188 HydrophobicContact CD1-CG2 3.88Å; I162-I188 HydrophobicContact CG1-CG2 4.49Å; I162-N189 PolarHBondContact N-O 3.24Å; I162-Y190 HydrophobicContact CB-CD1 4.01Å; I162-Y190 HydrophobicContact CB-CE1 4.34Å; I162-Y190 HydrophobicContact CD1-CD1 4.46Å; I162-Y190 HydrophobicContact CD1-CE1 3.95Å; I162-Y190 HydrophobicContact CG2-CD1 4.33Å; I162-I191 PolarHBondContact O-N 3.31Å |
| 163 | V | 91 | Very high | 84.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.2 | -175.1 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | I125 Y126 F127 H128 I191 L194 L197 | I125-V163 HydrophobicContact CG2-CG2 3.8Å; Y126-V163 PolarHBondContact O-N 3.25Å; F127-V163 HydrophobicContact CD1-CB 3.58Å; F127-V163 HydrophobicContact CD1-CG1 3.68Å; F127-V163 HydrophobicContact CD1-CG2 3.9Å; F127-V163 HydrophobicContact CE1-CB 3.92Å; F127-V163 HydrophobicContact CE1-CG1 3.79Å; F127-V163 HydrophobicContact CE1-CG2 3.82Å; F127-V163 HydrophobicContact CG-CB 4.49Å; H128-V163 WeakPolarHBondContact CB-O 3.46Å; H128-V163 PolarHBondContact N-O 2.97Å; V163-I191 CarbonylContact C-O 3.6Å; V163-I191 WeakPolarHBondContact CA-O 2.82Å; V163-I191 HydrophobicContact CG1-CG2 4.25Å; V163-I191 HydrophobicContact CG2-CB 4.13Å; V163-I191 HydrophobicContact CG2-CG2 4.29Å; V163-L194 HydrophobicContact CG1-CD2 3.9Å; V163-L197 HydrophobicContact CG2-CD1 4.33Å; V163-L197 HydrophobicContact CG2-CD2 4.05Å |
| 164 | H | 87.7 | Confident | 83.8 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 54.6 | 56.4 | -172.7 | -52 | -46.8 | 0 | 0 | 0 | 113.6 | H128 N129 T166 I191 N192 Y215 D216 I219 | H128-H164 PolarHBondContact CD2-O 2.92Å; N129-H164 HydrophobicContact CB-CB 4.4Å; H164-T166 PolarHBondContact O-N 3.41Å; H164-I191 PolarHBondContact N-O 2.87Å; H164-N192 PolarHBondContact CE1-O 3Å; H164-N192 VanDerWaalsContact CE1-O 3.28Å; H164-N192 PolarHBondContact ND1-O 3.2Å; H164-Y215 HydrophobicContact CB-CD1 4.13Å; H164-Y215 HydrophobicContact CB-CE1 3.74Å; H164-Y215 AromaticContact CD2-CD1 3.79Å; H164-Y215 AromaticContact CG-CD1 3.73Å; H164-Y215 AromaticContact CG-CE1 3.75Å; H164-D216 IonicContact CE1-OD1 3.3Å; H164-D216 PolarHBondContact CE1-OD1 3.03Å; H164-D216 VanDerWaalsContact CE1-OD1 3.27Å; H164-D216 IonicContact NE2-OD1 2.7Å; H164-I219 WeakPolarHBondContact ND1-CD1 3.47Å |
| 165 | P | 85.3 | Confident | 82.9 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | trans | -67.1 | 124.4 | -177.7 | 28.6 | -34.3 | 0 | 0 | 0 | 111.6 | I162 I169 K170 Y190 I191 | I162-P165 HydrophobicContact CG2-CB 3.84Å; P165-I169 HydrophobicContact CB-CG2 3.87Å; P165-K170 HydrophobicContact CB-CG 4.23Å; P165-Y190 HydrophobicContact CB-CD1 3.75Å; P165-Y190 HydrophobicContact CB-CE1 4.28Å; P165-Y190 HydrophobicContact CG-CD1 3.83Å; P165-Y190 HydrophobicContact CG-CG 4.23Å; P165-I191 VanDerWaalsContact CD-O 3.3Å; P165-I191 WeakPolarHBondContact CD-O 3.2Å | ||
| 166 | T | 79.9 | Confident | 82 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | trans | -79.6 | 167.8 | 169.6 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | H128 H164 F168 I169 K170 | H128-T166 PolarHBondContact CD2-N 2.87Å; H128-T166 WeakPolarHBondContact NE2-CB 3.35Å; H128-T166 VanDerWaalsContact NE2-CG2 3.32Å; H128-T166 WeakPolarHBondContact NE2-CG2 3.47Å; H128-T166 PolarHBondContact NE2-OG1 3.08Å; H164-T166 PolarHBondContact O-N 3.41Å; T166-F168 PolarHBondContact O-N 3.46Å; T166-F168 PolarHBondContact OG1-N 3.07Å; T166-I169 VanDerWaalsContact N-CG2 3.35Å; T166-I169 VanDerWaalsContact O-CG2 3.25Å; T166-I169 WeakPolarHBondContact O-CG2 3.41Å; T166-I169 PolarHBondContact O-N 3.06Å; T166-I169 PolarHBondContact OG1-N 2.96Å; T166-K170 WeakPolarHBondContact O-CG 3.4Å; T166-K170 PolarHBondContact O-N 3.41Å; T166-K170 VanDerWaalsContact O-N 3.15Å | ||
| 167 | I | 72.4 | Confident | 81.2 | Confident | 140 Ų | 140 | 50.4 Ų | 50.4 | 72% | 0.718 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -56.9 | -38 | 170.3 | -60.1 | 173 | 0 | 0 | 0 | 110.5 | K170 T171 | I167-K170 PolarHBondContact O-N 3.47Å; I167-T171 WeakPolarHBondContact O-CB 3.37Å; I167-T171 PolarHBondContact O-N 3.12Å; I167-T171 PolarHBondContact O-OG1 3.01Å |
| 168 | F | 75.3 | Confident | 80.2 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.9 | -53 | 178.6 | 171.2 | -102.5 | 0 | 0 | 0 | 112 | T166 K170 T171 L172 | T166-F168 PolarHBondContact O-N 3.46Å; T166-F168 PolarHBondContact OG1-N 3.07Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.94Å; F168-T171 PolarHBondContact O-N 3.2Å; F168-L172 HydrophobicContact CE1-CD2 4.15Å; F168-L172 HydrophobicContact CZ-CD2 4.23Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.92Å |
| 169 | I | 77.9 | Confident | 79 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.2 | -33.5 | -178.6 | -170.3 | 61 | 0 | 0 | 0 | 112.2 | Y126 I162 P165 T166 L172 L173 | Y126-I169 HydrophobicContact CE1-CD1 4.34Å; Y126-I169 HydrophobicContact CE1-CG1 4.32Å; I162-I169 HydrophobicContact CG2-CG1 4.49Å; I162-I169 HydrophobicContact CG2-CG2 4.49Å; P165-I169 HydrophobicContact CB-CG2 3.87Å; T166-I169 VanDerWaalsContact N-CG2 3.35Å; T166-I169 VanDerWaalsContact O-CG2 3.25Å; T166-I169 WeakPolarHBondContact O-CG2 3.41Å; T166-I169 PolarHBondContact O-N 3.06Å; T166-I169 PolarHBondContact OG1-N 2.96Å; I169-L172 HydrophobicContact CD1-CD2 3.94Å; I169-L172 PolarHBondContact O-N 2.95Å; I169-L173 HydrophobicContact CG1-CD1 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.18Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.36Å |
| 170 | K | 77.8 | Confident | 78.1 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -48 | 174.6 | -68.8 | 179.6 | -175.2 | -177.6 | 0 | 111.2 | P165 T166 I167 F168 L172 L173 I174 Y190 | P165-K170 HydrophobicContact CB-CG 4.23Å; T166-K170 WeakPolarHBondContact O-CG 3.4Å; T166-K170 PolarHBondContact O-N 3.41Å; T166-K170 VanDerWaalsContact O-N 3.15Å; I167-K170 PolarHBondContact O-N 3.47Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.94Å; K170-L172 VanDerWaalsContact C-N 3.35Å; K170-L173 PolarHBondContact O-N 3.29Å; K170-I174 VanDerWaalsContact O-CG1 3.32Å; K170-I174 WeakPolarHBondContact O-CG1 3.35Å; K170-I174 PolarHBondContact O-N 3.42Å; K170-Y190 HydrophobicContact CG-CE1 4.27Å |
| 171 | T | 70.8 | Confident | 77.4 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63 | -42 | 176.4 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | I167 F168 L173 I174 L175 | I167-T171 WeakPolarHBondContact O-CB 3.37Å; I167-T171 PolarHBondContact O-N 3.12Å; I167-T171 PolarHBondContact O-OG1 3.01Å; F168-T171 PolarHBondContact O-N 3.2Å; T171-L173 PolarHBondContact O-N 3.17Å; T171-I174 WeakPolarHBondContact O-CB 3.27Å; T171-I174 PolarHBondContact O-N 3.48Å; T171-L175 PolarHBondContact O-N 2.95Å |
| 172 | L | 74.4 | Confident | 76.5 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 176.1 | -172.3 | 66.2 | 0 | 0 | 0 | 110.7 | L139 L142 F168 I169 K170 I174 L175 F176 | L139-L172 HydrophobicContact CD2-CD1 3.35Å; L142-L172 HydrophobicContact CD1-CD1 4.07Å; L142-L172 HydrophobicContact CD1-CD2 3.55Å; L142-L172 HydrophobicContact CD1-CG 4.36Å; F168-L172 HydrophobicContact CE1-CD2 4.15Å; F168-L172 HydrophobicContact CZ-CD2 4.23Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.92Å; I169-L172 HydrophobicContact CD1-CD2 3.94Å; I169-L172 PolarHBondContact O-N 2.95Å; K170-L172 VanDerWaalsContact C-N 3.35Å; L172-I174 VanDerWaalsContact C-N 3.3Å; L172-I174 PolarHBondContact O-N 2.96Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L172-F176 HydrophobicContact CD1-CD2 3.92Å; L172-F176 HydrophobicContact CD1-CE2 3.51Å; L172-F176 HydrophobicContact CG-CD2 3.95Å; L172-F176 HydrophobicContact CG-CE2 3.96Å; L172-F176 WeakPolarHBondContact O-CD2 3.17Å; L172-F176 PolarHBondContact O-N 3.04Å |
| 173 | L | 76.4 | Confident | 75.8 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.2 | -31 | 178.6 | -71.2 | 169.2 | 0 | 0 | 0 | 113.3 | I162 I169 K170 T171 F176 K177 I180 I188 Y190 | I162-L173 HydrophobicContact CD1-CD1 3.37Å; I169-L173 HydrophobicContact CG1-CD1 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.18Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.36Å; K170-L173 PolarHBondContact O-N 3.29Å; T171-L173 PolarHBondContact O-N 3.17Å; L173-F176 CarbonylContact O-C 3.55Å; L173-F176 PolarHBondContact O-N 3.18Å; L173-K177 PolarHBondContact O-N 3.07Å; L173-I180 HydrophobicContact CD2-CD1 4.16Å; L173-I188 HydrophobicContact CD2-CD1 4.46Å; L173-Y190 HydrophobicContact CD1-CE1 4.08Å; L173-Y190 WeakPolarHBondContact CD1-OH 3.46Å |
| 174 | I | 73.4 | Confident | 75.3 | Confident | 116 Ų | 116 | 73.2 Ų | 73.2 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.5 | -43.3 | 171.8 | -68.2 | 164.5 | 0 | 0 | 0 | 110.7 | K170 T171 L172 F176 K177 | K170-I174 VanDerWaalsContact O-CG1 3.32Å; K170-I174 WeakPolarHBondContact O-CG1 3.35Å; K170-I174 PolarHBondContact O-N 3.42Å; T171-I174 WeakPolarHBondContact O-CB 3.27Å; T171-I174 PolarHBondContact O-N 3.48Å; L172-I174 VanDerWaalsContact C-N 3.3Å; L172-I174 PolarHBondContact O-N 2.96Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 2.83Å; I174-K177 WeakPolarHBondContact O-CB 3.15Å; I174-K177 PolarHBondContact O-N 3.11Å |
| 175 | L | 69.1 | Low | 75 | Confident | 119 Ų | 119 | 74.4 Ų | 74.4 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.1 | -34.8 | 177 | -174.9 | 64.7 | 0 | 0 | 0 | 111.9 | T171 L172 K177 P178 | T171-L175 PolarHBondContact O-N 2.95Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-P178 VanDerWaalsContact O-CD 3.29Å; L175-P178 WeakPolarHBondContact O-CD 3.48Å |
| 176 | F | 68 | Low | 75 | Confident | 23 Ų | 23 | 82.8 Ų | 82.8 | 10% | 0.101 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -2.6 | 174.4 | -78 | -77.6 | 0 | 0 | 0 | 113.8 | L142 R143 L172 L173 I174 P178 L179 I180 | L142-F176 HydrophobicContact CB-CE2 4.31Å; L142-F176 HydrophobicContact CB-CZ 4.1Å; R143-F176 HydrophobicContact CB-CE1 3.97Å; R143-F176 HydrophobicContact CB-CZ 4.19Å; R143-F176 HydrophobicContact CG-CE1 4.36Å; L172-F176 HydrophobicContact CD1-CD2 3.92Å; L172-F176 HydrophobicContact CD1-CE2 3.51Å; L172-F176 HydrophobicContact CG-CD2 3.95Å; L172-F176 HydrophobicContact CG-CE2 3.96Å; L172-F176 WeakPolarHBondContact O-CD2 3.17Å; L172-F176 PolarHBondContact O-N 3.04Å; L173-F176 CarbonylContact O-C 3.55Å; L173-F176 PolarHBondContact O-N 3.18Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 2.83Å; F176-P178 VanDerWaalsContact C-CD 3.41Å; F176-L179 HydrophobicContact CD1-CD1 3.62Å; F176-L179 HydrophobicContact CE1-CD1 3.95Å; F176-L179 CarbonylContact O-C 3.55Å; F176-L179 WeakPolarHBondContact O-CA 3.46Å; F176-L179 WeakPolarHBondContact O-CB 3.28Å; F176-L179 PolarHBondContact O-N 3.44Å; F176-I180 HydrophobicContact CB-CD1 3.97Å; F176-I180 HydrophobicContact CB-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.41Å; F176-I180 PolarHBondContact O-N 2.85Å |
| 177 | K | 73.3 | Confident | 75.4 | Confident | 153 Ų | 153 | 82.1 Ų | 82.1 | 67% | 0.665 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -36.6 | -179.5 | -167.4 | 179.1 | -178.9 | -178.9 | 0 | 114.4 | L173 I174 L175 L179 I180 | L173-K177 PolarHBondContact O-N 3.07Å; I174-K177 WeakPolarHBondContact O-CB 3.15Å; I174-K177 PolarHBondContact O-N 3.11Å; L175-K177 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 2.84Å; K177-I180 PolarHBondContact O-N 2.68Å |
| 178 | P | 70.6 | Confident | 76.1 | Confident | 119 Ų | 119 | 76.8 Ų | 76.8 | 77% | 0.773 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.4 | 173.7 | -21.2 | 34.2 | 0 | 0 | 0 | 113.5 | L175 F176 | L175-P178 VanDerWaalsContact O-CD 3.29Å; L175-P178 WeakPolarHBondContact O-CD 3.48Å; F176-P178 VanDerWaalsContact C-CD 3.41Å |
| 179 | L | 67.9 | Low | 76.7 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -28.1 | 179.5 | -63.6 | 170.6 | 0 | 0 | 0 | 111.3 | Y146 F176 K177 | Y146-L179 HydrophobicContact CD1-CB 4.14Å; Y146-L179 HydrophobicContact CE1-CB 3.74Å; Y146-L179 VanDerWaalsContact CE1-O 3.24Å; Y146-L179 WeakPolarHBondContact CE1-O 3.38Å; Y146-L179 PolarHBondContact OH-O 3.5Å; F176-L179 HydrophobicContact CD1-CD1 3.62Å; F176-L179 HydrophobicContact CE1-CD1 3.95Å; F176-L179 CarbonylContact O-C 3.55Å; F176-L179 WeakPolarHBondContact O-CA 3.46Å; F176-L179 WeakPolarHBondContact O-CB 3.28Å; F176-L179 PolarHBondContact O-N 3.44Å; K177-L179 PolarHBondContact O-N 2.84Å |
| 180 | I | 70.9 | Confident | 77.2 | Confident | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -80.6 | 121.6 | 177.7 | -64.9 | 165.4 | 0 | 0 | 0 | 110.6 | Y146 L173 F176 K177 F182 F184 | Y146-I180 HydrophobicContact CE2-CG1 3.99Å; Y146-I180 WeakPolarHBondContact OH-CA 3.32Å; L173-I180 HydrophobicContact CD2-CD1 4.16Å; F176-I180 HydrophobicContact CB-CD1 3.97Å; F176-I180 HydrophobicContact CB-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.41Å; F176-I180 PolarHBondContact O-N 2.85Å; K177-I180 PolarHBondContact O-N 2.68Å; I180-F182 PolarHBondContact O-N 3.34Å; I180-F184 HydrophobicContact CG2-CB 4.17Å; I180-F184 HydrophobicContact CG2-CD1 3.77Å; I180-F184 HydrophobicContact CG2-CG 4.44Å |
| 181 | S | 77.5 | Confident | 77.5 | Confident | 63 Ų | 63 | 77.7 Ų | 77.7 | 44% | 0.441 | 39% | 0.387 | S | S | . | . | trans | -60.4 | 142.3 | 174.6 | 76.1 | 0 | 0 | 0 | 0 | 111.4 | K183 F184 G185 | S181-K183 PolarHBondContact O-N 3.46Å; S181-K183 VanDerWaalsContact O-N 3.14Å; S181-F184 WeakPolarHBondContact O-CA 3.42Å; S181-F184 PolarHBondContact O-N 3.36Å; S181-F184 VanDerWaalsContact OG-CB 3.28Å; S181-F184 WeakPolarHBondContact OG-CB 3.45Å; S181-F184 PolarHBondContact OG-N 3.5Å; S181-G185 PolarHBondContact O-N 2.93Å | ||
| 182 | F | 74.9 | Confident | 77.9 | Confident | 150 Ų | 150 | 75.8 Ų | 75.8 | 66% | 0.658 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -51.9 | -39.3 | 177.9 | -179 | -102.2 | 0 | 0 | 0 | 113.2 | I180 F184 G185 R186 | I180-F182 PolarHBondContact O-N 3.34Å; F182-F184 PolarHBondContact O-N 3.4Å; F182-G185 PolarHBondContact O-N 2.68Å; F182-R186 VanDerWaalsContact CE1-CZ 3.44Å; F182-R186 VanDerWaalsContact CE1-NE 3.29Å; F182-R186 VanDerWaalsContact CE1-NH2 3.27Å; F182-R186 VanDerWaalsContact CZ-NH2 3.29Å; F182-R186 PolarHBondContact O-N 2.92Å |
| 183 | K | 77.2 | Confident | 78.5 | Confident | 174 Ų | 174 | 77.4 Ų | 77.4 | 76% | 0.757 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.7 | -36 | 176.9 | -68.2 | -177.1 | -179.9 | 178.1 | 0 | 112.6 | S181 | S181-K183 PolarHBondContact O-N 3.46Å; S181-K183 VanDerWaalsContact O-N 3.14Å |
| 184 | F | 81.6 | Confident | 78.9 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 9% | 0.092 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -75.1 | -38.9 | 177.1 | -171.7 | -93.4 | 0 | 0 | 0 | 111.7 | K154 I157 L160 I180 S181 F182 R186 K187 I188 | K154-F184 HydrophobicContact CB-CD2 3.87Å; K154-F184 HydrophobicContact CB-CE2 4.1Å; K154-F184 HydrophobicContact CG-CD2 4.05Å; K154-F184 HydrophobicContact CG-CE2 3.99Å; I157-F184 HydrophobicContact CB-CE2 4.33Å; I157-F184 HydrophobicContact CD1-CE2 3.71Å; I157-F184 HydrophobicContact CD1-CZ 4.14Å; I157-F184 HydrophobicContact CG2-CE2 4.37Å; L160-F184 HydrophobicContact CD2-CE1 4.41Å; L160-F184 HydrophobicContact CD2-CZ 4.39Å; I180-F184 HydrophobicContact CG2-CB 4.17Å; I180-F184 HydrophobicContact CG2-CD1 3.77Å; I180-F184 HydrophobicContact CG2-CG 4.44Å; S181-F184 WeakPolarHBondContact O-CA 3.42Å; S181-F184 PolarHBondContact O-N 3.36Å; S181-F184 VanDerWaalsContact OG-CB 3.28Å; S181-F184 WeakPolarHBondContact OG-CB 3.45Å; S181-F184 PolarHBondContact OG-N 3.5Å; F182-F184 PolarHBondContact O-N 3.4Å; F184-R186 PolarHBondContact O-N 2.92Å; F184-K187 HydrophobicContact CD2-CD 4.07Å; F184-K187 VanDerWaalsContact O-CB 3.28Å; F184-K187 WeakPolarHBondContact O-CB 3.41Å; F184-K187 PolarHBondContact O-N 3.48Å; F184-I188 HydrophobicContact CE1-CD1 4.47Å; F184-I188 HydrophobicContact CE1-CG1 4.49Å |
| 185 | G | 80.8 | Confident | 79.5 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.7 | -36.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S181 F182 K187 I188 | S181-G185 PolarHBondContact O-N 2.93Å; F182-G185 PolarHBondContact O-N 2.68Å; G185-K187 PolarHBondContact O-N 3.17Å; G185-I188 PolarHBondContact O-N 2.96Å |
| 186 | R | 84.3 | Confident | 80.2 | Confident | 189 Ų | 189 | 70 Ų | 70 | 71% | 0.713 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.3 | 174.9 | -70.4 | -175.2 | 177 | -166.5 | -4.9 | 114.9 | F182 F184 | F182-R186 VanDerWaalsContact CE1-CZ 3.44Å; F182-R186 VanDerWaalsContact CE1-NE 3.29Å; F182-R186 VanDerWaalsContact CE1-NH2 3.27Å; F182-R186 VanDerWaalsContact CZ-NH2 3.29Å; F182-R186 PolarHBondContact O-N 2.92Å; F184-R186 PolarHBondContact O-N 2.92Å |
| 187 | K | 88.4 | Confident | 81 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11.2 | 179.2 | -55 | 173.5 | 175 | -165.9 | 0 | 112.4 | K154 K155 I157 A159 L160 F184 G185 N189 | K154-K187 PolarHBondContact O-NZ 3.41Å; K155-K187 PolarHBondContact O-NZ 2.94Å; I157-K187 HydrophobicContact CB-CD 4.49Å; I157-K187 HydrophobicContact CG2-CD 4.34Å; I157-K187 WeakPolarHBondContact O-CD 3.38Å; I157-K187 WeakPolarHBondContact O-CE 3.2Å; I157-K187 PolarHBondContact O-NZ 3.38Å; A159-K187 WeakPolarHBondContact CA-O 3.2Å; L160-K187 PolarHBondContact N-O 2.92Å; F184-K187 HydrophobicContact CD2-CD 4.07Å; F184-K187 VanDerWaalsContact O-CB 3.28Å; F184-K187 WeakPolarHBondContact O-CB 3.41Å; F184-K187 PolarHBondContact O-N 3.48Å; G185-K187 PolarHBondContact O-N 3.17Å; K187-N189 PolarHBondContact O-ND2 3.23Å |
| 188 | I | 88.3 | Confident | 81.5 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.9 | -178.4 | -57.7 | 176.8 | 0 | 0 | 0 | 108.6 | L160 I162 L173 F184 G185 Y190 | L160-I188 HydrophobicContact CD2-CG1 4.05Å; L160-I188 CarbonylContact O-C 3.15Å; L160-I188 WeakPolarHBondContact O-CA 3.36Å; I162-I188 HydrophobicContact CD1-CG2 3.88Å; I162-I188 HydrophobicContact CG1-CG2 4.49Å; L173-I188 HydrophobicContact CD2-CD1 4.46Å; F184-I188 HydrophobicContact CE1-CD1 4.47Å; F184-I188 HydrophobicContact CE1-CG1 4.49Å; G185-I188 PolarHBondContact O-N 2.96Å; I188-Y190 HydrophobicContact CG2-CE1 4.21Å |
| 189 | N | 87 | Confident | 81.7 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.6 | 178.6 | -63.2 | -79 | 0 | 0 | 0 | 108.8 | L160 Y161 I162 K187 | L160-N189 PolarHBondContact O-N 2.91Å; Y161-N189 CarbonylContact C-O 3.57Å; Y161-N189 WeakPolarHBondContact CA-O 2.9Å; Y161-N189 HydrophobicContact CD1-CB 3.53Å; Y161-N189 HydrophobicContact CE1-CB 3.62Å; I162-N189 PolarHBondContact N-O 3.24Å; K187-N189 PolarHBondContact O-ND2 3.23Å |
| 190 | Y | 87.9 | Confident | 81.9 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 37% | 0.365 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.3 | 176.5 | -66.3 | -59.2 | 0 | 0 | 0 | 109.2 | I162 P165 K170 L173 I188 | I162-Y190 HydrophobicContact CB-CD1 4.01Å; I162-Y190 HydrophobicContact CB-CE1 4.34Å; I162-Y190 HydrophobicContact CD1-CD1 4.46Å; I162-Y190 HydrophobicContact CD1-CE1 3.95Å; I162-Y190 HydrophobicContact CG2-CD1 4.33Å; P165-Y190 HydrophobicContact CB-CD1 3.75Å; P165-Y190 HydrophobicContact CB-CE1 4.28Å; P165-Y190 HydrophobicContact CG-CD1 3.83Å; P165-Y190 HydrophobicContact CG-CG 4.23Å; K170-Y190 HydrophobicContact CG-CE1 4.27Å; L173-Y190 HydrophobicContact CD1-CE1 4.08Å; L173-Y190 WeakPolarHBondContact CD1-OH 3.46Å; I188-Y190 HydrophobicContact CG2-CE1 4.21Å |
| 191 | I | 84.1 | Confident | 82.3 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.5 | 179.5 | -63.3 | -61.2 | 0 | 0 | 0 | 107.7 | Y161 I162 V163 H164 P165 Y193 E196 L197 | Y161-I191 HydrophobicContact CD1-CD1 3.94Å; Y161-I191 HydrophobicContact CD1-CG1 3.71Å; Y161-I191 HydrophobicContact CE1-CD1 4.47Å; Y161-I191 HydrophobicContact CG-CG1 4.32Å; I162-I191 PolarHBondContact O-N 3.31Å; V163-I191 CarbonylContact C-O 3.6Å; V163-I191 WeakPolarHBondContact CA-O 2.82Å; V163-I191 HydrophobicContact CG1-CG2 4.25Å; V163-I191 HydrophobicContact CG2-CB 4.13Å; V163-I191 HydrophobicContact CG2-CG2 4.29Å; H164-I191 PolarHBondContact N-O 2.87Å; P165-I191 VanDerWaalsContact CD-O 3.3Å; P165-I191 WeakPolarHBondContact CD-O 3.2Å; I191-Y193 WeakPolarHBondContact CG2-O 3.49Å; I191-E196 HydrophobicContact CD1-CB 4.15Å; I191-E196 HydrophobicContact CG2-CB 4.02Å; I191-L197 HydrophobicContact CG1-CD1 4.47Å; I191-L197 HydrophobicContact CG2-CB 4.11Å |
| 192 | N | 80.8 | Confident | 82.2 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -84.9 | -29.8 | -177 | -60.9 | -58.6 | 0 | 0 | 0 | 111.3 | H164 E196 I219 | H164-N192 PolarHBondContact CE1-O 3Å; H164-N192 VanDerWaalsContact CE1-O 3.28Å; H164-N192 PolarHBondContact ND1-O 3.2Å; N192-E196 PolarHBondContact N-OE2 3.22Å; N192-I219 VanDerWaalsContact O-CD1 3.23Å; N192-I219 WeakPolarHBondContact O-CD1 3.41Å |
| 193 | Y | 85.6 | Confident | 81.8 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -132 | 149 | -176.7 | -45.9 | -70 | 0 | 0 | 0 | 112.2 | I191 S195 E196 D216 I219 R220 L223 | I191-Y193 WeakPolarHBondContact CG2-O 3.49Å; Y193-S195 PolarHBondContact O-N 3.24Å; Y193-E196 HydrophobicContact CD2-CG 4.32Å; Y193-E196 WeakPolarHBondContact CD2-OE1 3.32Å; Y193-E196 WeakPolarHBondContact O-CB 3.12Å; Y193-E196 PolarHBondContact O-N 3.03Å; Y193-E196 VanDerWaalsContact O-N 3.11Å; Y193-D216 WeakPolarHBondContact CA-OD1 3.17Å; Y193-I219 HydrophobicContact CD1-CD1 3.64Å; Y193-I219 HydrophobicContact CD1-CG1 3.98Å; Y193-I219 HydrophobicContact CE1-CD1 3.84Å; Y193-I219 HydrophobicContact CE1-CG1 4.04Å; Y193-R220 HydrophobicContact CD1-CG 4.1Å; Y193-L223 HydrophobicContact CD1-CD1 4.37Å; Y193-L223 HydrophobicContact CE1-CD1 3.22Å; Y193-L223 WeakPolarHBondContact OH-CD1 3.36Å |
| 194 | L | 86.3 | Confident | 81.3 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -28.7 | 177.9 | -65.1 | 178.8 | 0 | 0 | 0 | 113.7 | F127 V163 E196 L197 E198 I208 V212 R213 D216 | F127-L194 HydrophobicContact CD1-CD2 4.5Å; F127-L194 HydrophobicContact CE1-CD2 3.72Å; V163-L194 HydrophobicContact CG1-CD2 3.9Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.03Å; L194-L197 HydrophobicContact CD2-CD2 4.48Å; L194-L197 WeakPolarHBondContact O-CA 3.28Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 2.91Å; L194-E198 PolarHBondContact O-N 3.07Å; L194-I208 HydrophobicContact CD1-CD1 4.45Å; L194-I208 HydrophobicContact CD1-CG2 4.04Å; L194-I208 HydrophobicContact CD2-CD1 4.24Å; L194-I208 HydrophobicContact CD2-CG2 4.27Å; L194-V212 HydrophobicContact CD1-CG1 4.42Å; L194-V212 HydrophobicContact CD2-CG1 4.1Å; L194-R213 HydrophobicContact CD1-CG 4.08Å; L194-D216 WeakPolarHBondContact CB-OD2 3.2Å; L194-D216 HydrophobicContact CD1-CB 3.74Å; L194-D216 HydrophobicContact CG-CB 3.81Å; L194-D216 PolarHBondContact N-OD1 2.67Å |
| 195 | S | 84.9 | Confident | 80.8 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 175.2 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | Y193 L197 E198 R220 | Y193-S195 PolarHBondContact O-N 3.24Å; S195-L197 PolarHBondContact O-N 3.21Å; S195-E198 WeakPolarHBondContact O-CB 3.09Å; S195-E198 PolarHBondContact O-N 2.76Å; S195-R220 PolarHBondContact OG-NH2 3.12Å |
| 196 | E | 83.1 | Confident | 80.7 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.3 | -25.3 | 173.8 | -60.2 | 171.6 | 173.1 | 0 | 0 | 111.2 | I191 N192 Y193 L194 | I191-E196 HydrophobicContact CD1-CB 4.15Å; I191-E196 HydrophobicContact CG2-CB 4.02Å; N192-E196 PolarHBondContact N-OE2 3.22Å; Y193-E196 HydrophobicContact CD2-CG 4.32Å; Y193-E196 WeakPolarHBondContact CD2-OE1 3.32Å; Y193-E196 WeakPolarHBondContact O-CB 3.12Å; Y193-E196 PolarHBondContact O-N 3.03Å; Y193-E196 VanDerWaalsContact O-N 3.11Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.03Å |
| 197 | L | 85 | Confident | 80.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 174 | -167.8 | 63.3 | 0 | 0 | 0 | 111.1 | I125 F127 Y161 V163 I191 L194 S195 D199 V200 V201 L206 | I125-L197 HydrophobicContact CD1-CD1 4.19Å; I125-L197 HydrophobicContact CD1-CD2 4.44Å; I125-L197 HydrophobicContact CG2-CD2 4.32Å; F127-L197 HydrophobicContact CE1-CD2 3.93Å; F127-L197 HydrophobicContact CZ-CD2 3.81Å; Y161-L197 HydrophobicContact CG-CD1 4.27Å; V163-L197 HydrophobicContact CG2-CD1 4.33Å; V163-L197 HydrophobicContact CG2-CD2 4.05Å; I191-L197 HydrophobicContact CG1-CD1 4.47Å; I191-L197 HydrophobicContact CG2-CB 4.11Å; L194-L197 HydrophobicContact CD2-CD2 4.48Å; L194-L197 WeakPolarHBondContact O-CA 3.28Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 2.91Å; S195-L197 PolarHBondContact O-N 3.21Å; L197-D199 PolarHBondContact O-N 2.88Å; L197-V200 PolarHBondContact O-N 2.88Å; L197-V201 PolarHBondContact O-N 3.22Å; L197-L206 HydrophobicContact CD2-CD1 3.91Å; L197-L206 HydrophobicContact CG-CD1 4.44Å |
| 198 | E | 83.7 | Confident | 80.2 | Confident | 108 Ų | 108 | 55.2 Ų | 55.2 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.5 | -33.8 | 178.2 | -73.1 | 173.6 | -176 | 0 | 0 | 112.4 | L194 S195 V200 V201 C203 | L194-E198 PolarHBondContact O-N 3.07Å; S195-E198 WeakPolarHBondContact O-CB 3.09Å; S195-E198 PolarHBondContact O-N 2.76Å; E198-V200 PolarHBondContact O-N 2.75Å; E198-V201 WeakPolarHBondContact CA-O 2.98Å; E198-C203 HydrophobicContact CG-CB 3.71Å; E198-C203 WeakPolarHBondContact CG-SG 3.4Å |
| 199 | D | 76.4 | Confident | 80 | Confident | 133 Ų | 133 | 54.5 Ų | 54.5 | 71% | 0.711 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.9 | 175.8 | -68.4 | -29.6 | 0 | 0 | 0 | 112.9 | L197 | L197-D199 PolarHBondContact O-N 2.88Š|
| 200 | V | 71.4 | Confident | 80 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 24% | 0.242 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -28.1 | -168.7 | -166.1 | 0 | 0 | 0 | 0 | 113.1 | N82 Y161 L197 E198 | N82-V200 PolarHBondContact ND2-O 3.15Å; Y161-V200 HydrophobicContact CE1-CG1 4.08Å; Y161-V200 HydrophobicContact CE2-CG1 3.98Å; Y161-V200 VanDerWaalsContact CZ-CG1 3.43Å; Y161-V200 WeakPolarHBondContact OH-CG1 3.44Å; L197-V200 PolarHBondContact O-N 2.88Å; E198-V200 PolarHBondContact O-N 2.75Å |
| 201 | V | 78.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -138.6 | 137 | 179.5 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | D81 V87 I125 L197 E198 C203 L206 | D81-V201 HydrophobicContact CB-CG2 4.42Å; V87-V201 HydrophobicContact CG2-CG1 4.2Å; I125-V201 HydrophobicContact CD1-CB 4.44Å; I125-V201 HydrophobicContact CD1-CG1 4.27Å; I125-V201 HydrophobicContact CD1-CG2 4.09Å; L197-V201 PolarHBondContact O-N 3.22Å; E198-V201 WeakPolarHBondContact CA-O 2.98Å; V201-C203 PolarHBondContact O-N 2.91Å; V201-L206 HydrophobicContact CB-CD1 4.29Å; V201-L206 HydrophobicContact CG1-CD1 3.81Å; V201-L206 HydrophobicContact CG1-CD2 4.35Å; V201-L206 HydrophobicContact CG1-CG 4.14Å |
| 202 | K | 74.9 | Confident | 79.7 | Confident | 106 Ų | 106 | 59.5 Ų | 59.5 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | trans | -65.6 | 95.9 | 174.9 | -65.5 | 178.5 | -177.4 | 176.3 | 0 | 109.9 | N82 E204 Q205 | N82-K202 WeakPolarHBondContact OD1-CG 3.46Å; K202-E204 PolarHBondContact O-N 2.71Å; K202-E204 VanDerWaalsContact O-N 3.11Å; K202-Q205 HydrophobicContact CB-CG 4.19Å; K202-Q205 WeakPolarHBondContact O-CB 3.43Å; K202-Q205 PolarHBondContact O-N 2.86Å | ||
| 203 | C | 68.1 | Low | 80.1 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -63 | -16.4 | -177.2 | -73.6 | 0 | 0 | 0 | 0 | 113.5 | E198 V201 Q205 L206 I208 | E198-C203 HydrophobicContact CG-CB 3.71Å; E198-C203 WeakPolarHBondContact CG-SG 3.4Å; V201-C203 PolarHBondContact O-N 2.91Å; C203-Q205 PolarHBondContact O-N 2.69Å; C203-L206 PolarHBondContact O-N 3.06Å; C203-I208 HydrophobicContact CB-CD1 4.14Å |
| 204 | E | 65.9 | Low | 80.1 | Confident | 168 Ų | 168 | 64.9 Ų | 64.9 | 79% | 0.785 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -64.2 | -22 | 171.7 | -55 | 78.8 | -169.5 | 0 | 0 | 112.6 | K202 | K202-E204 PolarHBondContact O-N 2.71Å; K202-E204 VanDerWaalsContact O-N 3.11Å |
| 205 | Q | 70.7 | Confident | 79.9 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -91.5 | -12.5 | 175.5 | -55.2 | -174.9 | -0.9 | 0 | 0 | 112.5 | D80 K202 C203 | D80-Q205 PolarHBondContact O-OE1 3.39Å; D80-Q205 VanDerWaalsContact O-OE1 3.1Å; K202-Q205 HydrophobicContact CB-CG 4.19Å; K202-Q205 WeakPolarHBondContact O-CB 3.43Å; K202-Q205 PolarHBondContact O-N 2.86Å; C203-Q205 PolarHBondContact O-N 2.69Å |
| 206 | L | 78.6 | Confident | 80 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -92.3 | 123.3 | -179.7 | -64.7 | 172.3 | 0 | 0 | 0 | 110.6 | A78 V87 V89 I125 L197 V201 C203 I208 | A78-L206 HydrophobicContact CB-CD2 3.46Å; A78-L206 VanDerWaalsContact CB-CD2 3.46Å; V87-L206 HydrophobicContact CG1-CD2 4.04Å; V89-L206 HydrophobicContact CG2-CD2 3.55Å; I125-L206 HydrophobicContact CD1-CD1 3.85Å; I125-L206 HydrophobicContact CD1-CD2 3.84Å; L197-L206 HydrophobicContact CD2-CD1 3.91Å; L197-L206 HydrophobicContact CG-CD1 4.44Å; V201-L206 HydrophobicContact CB-CD1 4.29Å; V201-L206 HydrophobicContact CG1-CD1 3.81Å; V201-L206 HydrophobicContact CG1-CD2 4.35Å; V201-L206 HydrophobicContact CG1-CG 4.14Å; C203-L206 PolarHBondContact O-N 3.06Å; L206-I208 HydrophobicContact CB-CD1 4.28Å; L206-I208 HydrophobicContact CB-CG1 3.73Å; L206-I208 PolarHBondContact O-N 2.78Å |
| 207 | V | 77.9 | Confident | 80.1 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | trans | -77.9 | 75.7 | 167.2 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | P209 | V207-P209 VanDerWaalsContact O-CD 3.31Å; V207-P209 WeakPolarHBondContact O-CD 3.29Å | ||
| 208 | I | 84.2 | Confident | 80.1 | Confident | 12 Ų | 12 | 77.1 Ų | 77.1 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | trans | -73.3 | 118.8 | 178.8 | -53.5 | 176.4 | 0 | 0 | 0 | 109 | F127 L194 C203 L206 V212 R213 | F127-I208 HydrophobicContact CE1-CG2 4.23Å; F127-I208 HydrophobicContact CZ-CD1 4.4Å; F127-I208 HydrophobicContact CZ-CG1 3.95Å; F127-I208 HydrophobicContact CZ-CG2 4.22Å; L194-I208 HydrophobicContact CD1-CD1 4.45Å; L194-I208 HydrophobicContact CD1-CG2 4.04Å; L194-I208 HydrophobicContact CD2-CD1 4.24Å; L194-I208 HydrophobicContact CD2-CG2 4.27Å; C203-I208 HydrophobicContact CB-CD1 4.14Å; L206-I208 HydrophobicContact CB-CD1 4.28Å; L206-I208 HydrophobicContact CB-CG1 3.73Å; L206-I208 PolarHBondContact O-N 2.78Å; I208-V212 HydrophobicContact CG2-CB 3.95Å; I208-V212 HydrophobicContact CG2-CG1 3.86Å; I208-R213 HydrophobicContact CB-CG 4.47Å; I208-R213 HydrophobicContact CG2-CG 3.97Å; I208-R213 PolarHBondContact O-NE 3.06Å | ||
| 209 | P | 85.7 | Confident | 79.8 | Confident | 14 Ų | 14 | 73.4 Ų | 73.4 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | trans | -59.4 | 143.4 | -178.5 | -24.3 | 34.4 | 0 | 0 | 0 | 112.8 | N91 V207 R211 V212 R213 | N91-P209 HydrophobicContact CB-CG 4.46Å; N91-P209 WeakPolarHBondContact OD1-CD 3.46Å; N91-P209 WeakPolarHBondContact OD1-CG 3.38Å; V207-P209 VanDerWaalsContact O-CD 3.31Å; V207-P209 WeakPolarHBondContact O-CD 3.29Å; P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.18Å; P209-V212 HydrophobicContact CB-CG2 4.18Å; P209-V212 HydrophobicContact CG-CG2 4.27Å; P209-V212 WeakPolarHBondContact O-CA 3.21Å; P209-V212 WeakPolarHBondContact O-CB 3.45Å; P209-V212 PolarHBondContact O-N 3.25Å; P209-R213 PolarHBondContact O-N 3.14Å | ||
| 210 | T | 85.1 | Confident | 79.9 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 60% | 0.601 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -53.1 | -43 | 179.4 | -43.9 | 0 | 0 | 0 | 0 | 112 | V212 R213 D214 | T210-V212 PolarHBondContact O-N 2.95Å; T210-V212 VanDerWaalsContact O-N 3.1Å; T210-R213 CarbonylContact O-C 3.52Å; T210-R213 WeakPolarHBondContact O-CA 3.49Å; T210-R213 WeakPolarHBondContact O-CB 3.47Å; T210-R213 PolarHBondContact O-N 3.13Å; T210-D214 PolarHBondContact O-N 2.81Å |
| 211 | R | 81.5 | Confident | 79.9 | Confident | 176 Ų | 176 | 72.4 Ų | 72.4 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.1 | -31.1 | 175.6 | -71.5 | -173.5 | 173.9 | 179.1 | -3.2 | 114.2 | N129 P209 Y215 | N129-R211 PolarHBondContact ND2-O 2.9Å; N129-R211 VanDerWaalsContact ND2-O 3.07Å; P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.18Å; R211-Y215 VanDerWaalsContact O-CB 3.31Å; R211-Y215 WeakPolarHBondContact O-CB 3.47Å; R211-Y215 PolarHBondContact O-N 3.16Å |
| 212 | V | 86.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -76.5 | -42.2 | 176.4 | 178 | 0 | 0 | 0 | 0 | 109.7 | F127 L194 I208 P209 T210 Y215 D216 | F127-V212 HydrophobicContact CB-CG2 4.2Å; F127-V212 HydrophobicContact CD1-CG1 3.63Å; F127-V212 HydrophobicContact CD1-CG2 4.49Å; F127-V212 HydrophobicContact CE1-CG1 4.07Å; F127-V212 HydrophobicContact CG-CG1 4.37Å; F127-V212 HydrophobicContact CG-CG2 4.45Å; L194-V212 HydrophobicContact CD1-CG1 4.42Å; L194-V212 HydrophobicContact CD2-CG1 4.1Å; I208-V212 HydrophobicContact CG2-CB 3.95Å; I208-V212 HydrophobicContact CG2-CG1 3.86Å; P209-V212 HydrophobicContact CB-CG2 4.18Å; P209-V212 HydrophobicContact CG-CG2 4.27Å; P209-V212 WeakPolarHBondContact O-CA 3.21Å; P209-V212 WeakPolarHBondContact O-CB 3.45Å; P209-V212 PolarHBondContact O-N 3.25Å; T210-V212 PolarHBondContact O-N 2.95Å; T210-V212 VanDerWaalsContact O-N 3.1Å; V212-Y215 PolarHBondContact O-N 3.35Å; V212-D216 WeakPolarHBondContact O-CB 3.21Å; V212-D216 PolarHBondContact O-N 3.23Å |
| 213 | R | 88 | Confident | 78 | Confident | 117 Ų | 117 | 76 Ų | 76 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.3 | -63.3 | 177.4 | 176.7 | -109.8 | -2.1 | 112 | L194 I208 P209 T210 Y215 D216 E217 | L194-R213 HydrophobicContact CD1-CG 4.08Å; I208-R213 HydrophobicContact CB-CG 4.47Å; I208-R213 HydrophobicContact CG2-CG 3.97Å; I208-R213 PolarHBondContact O-NE 3.06Å; P209-R213 PolarHBondContact O-N 3.14Å; T210-R213 CarbonylContact O-C 3.52Å; T210-R213 WeakPolarHBondContact O-CA 3.49Å; T210-R213 WeakPolarHBondContact O-CB 3.47Å; T210-R213 PolarHBondContact O-N 3.13Å; R213-Y215 VanDerWaalsContact C-N 3.25Å; R213-Y215 PolarHBondContact O-N 2.8Å; R213-D216 WeakPolarHBondContact O-CB 3.21Å; R213-D216 PolarHBondContact O-N 3.38Å; R213-D216 VanDerWaalsContact O-N 3.15Å; R213-E217 WeakPolarHBondContact O-CG 3.27Å; R213-E217 PolarHBondContact O-N 3.16Å |
| 214 | D | 86.1 | Confident | 76.8 | Confident | 86 Ų | 86 | 83.5 Ų | 83.5 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 177.6 | -58.2 | -21.4 | 0 | 0 | 0 | 111.3 | T210 K218 | T210-D214 PolarHBondContact O-N 2.81Å; D214-K218 VanDerWaalsContact O-CB 3.28Å; D214-K218 WeakPolarHBondContact O-CB 3.3Å; D214-K218 PolarHBondContact O-N 3.01Å |
| 215 | Y | 82.8 | Confident | 75.4 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 175.7 | -178.1 | -93.2 | 0 | 0 | 0 | 111.7 | N129 H164 R211 V212 R213 E217 K218 I219 | N129-Y215 HydrophobicContact CB-CD1 4.24Å; N129-Y215 HydrophobicContact CB-CG 4.36Å; N129-Y215 VanDerWaalsContact ND2-CB 3.28Å; N129-Y215 WeakPolarHBondContact ND2-CB 3.32Å; N129-Y215 WeakPolarHBondContact OD1-CD2 3.23Å; H164-Y215 HydrophobicContact CB-CD1 4.13Å; H164-Y215 HydrophobicContact CB-CE1 3.74Å; H164-Y215 AromaticContact CD2-CD1 3.79Å; H164-Y215 AromaticContact CG-CD1 3.73Å; H164-Y215 AromaticContact CG-CE1 3.75Å; R211-Y215 VanDerWaalsContact O-CB 3.31Å; R211-Y215 WeakPolarHBondContact O-CB 3.47Å; R211-Y215 PolarHBondContact O-N 3.16Å; V212-Y215 PolarHBondContact O-N 3.35Å; R213-Y215 VanDerWaalsContact C-N 3.25Å; R213-Y215 PolarHBondContact O-N 2.8Å; Y215-E217 VanDerWaalsContact C-N 3.33Å; Y215-E217 PolarHBondContact O-N 2.97Å; Y215-K218 WeakPolarHBondContact O-CB 3.23Å; Y215-K218 PolarHBondContact O-N 3.35Å; Y215-I219 HydrophobicContact CD1-CD1 4.36Å; Y215-I219 HydrophobicContact CD1-CG2 4.2Å; Y215-I219 HydrophobicContact CE1-CD1 4.15Å; Y215-I219 HydrophobicContact CE1-CG2 3.69Å; Y215-I219 HydrophobicContact CE2-CG2 4.29Å; Y215-I219 WeakPolarHBondContact O-CG1 3.36Å; Y215-I219 PolarHBondContact O-N 3.48Å |
| 216 | D | 86.3 | Confident | 73.6 | Confident | 4 Ų | 4 | 80.5 Ų | 80.5 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 174.6 | -174.1 | 66.1 | 0 | 0 | 0 | 111.9 | H164 Y193 L194 V212 R213 I219 R220 | H164-D216 IonicContact CE1-OD1 3.3Å; H164-D216 PolarHBondContact CE1-OD1 3.03Å; H164-D216 VanDerWaalsContact CE1-OD1 3.27Å; H164-D216 IonicContact NE2-OD1 2.7Å; Y193-D216 WeakPolarHBondContact CA-OD1 3.17Å; L194-D216 WeakPolarHBondContact CB-OD2 3.2Å; L194-D216 HydrophobicContact CD1-CB 3.74Å; L194-D216 HydrophobicContact CG-CB 3.81Å; L194-D216 PolarHBondContact N-OD1 2.67Å; V212-D216 WeakPolarHBondContact O-CB 3.21Å; V212-D216 PolarHBondContact O-N 3.23Å; R213-D216 WeakPolarHBondContact O-CB 3.21Å; R213-D216 PolarHBondContact O-N 3.38Å; R213-D216 VanDerWaalsContact O-N 3.15Å; D216-I219 WeakPolarHBondContact O-CG1 3.4Å; D216-I219 PolarHBondContact O-N 3.19Å; D216-R220 WeakPolarHBondContact O-CB 3.39Å; D216-R220 WeakPolarHBondContact O-CG 3.42Å; D216-R220 PolarHBondContact O-N 3.24Å; D216-R220 IonicContact OD1-CZ 3.91Å; D216-R220 IonicContact OD1-NH2 2.87Å; D216-R220 PolarHBondContact OD1-NH2 3.06Å; D216-R220 IonicContact OD2-CZ 2.85Å; D216-R220 IonicContact OD2-NE 3.67Å; D216-R220 IonicContact OD2-NH1 2.8Å; D216-R220 PolarHBondContact OD2-NH1 3.35Å; D216-R220 IonicContact OD2-NH2 2.76Å; D216-R220 PolarHBondContact OD2-NH2 3.21Å |
| 217 | E | 86.1 | Confident | 71.9 | Confident | 126 Ų | 126 | 87 Ų | 87 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 173.5 | -75.1 | -176.9 | -172.4 | 0 | 0 | 112 | R213 Y215 R220 A221 | R213-E217 WeakPolarHBondContact O-CG 3.27Å; R213-E217 PolarHBondContact O-N 3.16Å; Y215-E217 VanDerWaalsContact C-N 3.33Å; Y215-E217 PolarHBondContact O-N 2.97Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.35Å |
| 218 | K | 83.7 | Confident | 70 | Confident | 157 Ų | 157 | 91 Ų | 91 | 68% | 0.683 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 177.3 | -174.4 | 177.7 | -178.7 | 177.8 | 0 | 111.8 | D214 Y215 A221 S222 | D214-K218 VanDerWaalsContact O-CB 3.28Å; D214-K218 WeakPolarHBondContact O-CB 3.3Å; D214-K218 PolarHBondContact O-N 3.01Å; Y215-K218 WeakPolarHBondContact O-CB 3.23Å; Y215-K218 PolarHBondContact O-N 3.35Å; K218-A221 PolarHBondContact O-N 3.35Å; K218-S222 PolarHBondContact O-N 2.99Å; K218-S222 PolarHBondContact O-OG 2.86Å |
| 219 | I | 77.8 | Confident | 67.6 | Low | 30 Ų | 30 | 93.7 Ų | 93.7 | 15% | 0.154 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 176 | 64.4 | -179.3 | 0 | 0 | 0 | 110.5 | H164 N192 Y193 Y215 D216 S222 L223 | H164-I219 WeakPolarHBondContact ND1-CD1 3.47Å; N192-I219 VanDerWaalsContact O-CD1 3.23Å; N192-I219 WeakPolarHBondContact O-CD1 3.41Å; Y193-I219 HydrophobicContact CD1-CD1 3.64Å; Y193-I219 HydrophobicContact CD1-CG1 3.98Å; Y193-I219 HydrophobicContact CE1-CD1 3.84Å; Y193-I219 HydrophobicContact CE1-CG1 4.04Å; Y215-I219 HydrophobicContact CD1-CD1 4.36Å; Y215-I219 HydrophobicContact CD1-CG2 4.2Å; Y215-I219 HydrophobicContact CE1-CD1 4.15Å; Y215-I219 HydrophobicContact CE1-CG2 3.69Å; Y215-I219 HydrophobicContact CE2-CG2 4.29Å; Y215-I219 WeakPolarHBondContact O-CG1 3.36Å; Y215-I219 PolarHBondContact O-N 3.48Å; D216-I219 WeakPolarHBondContact O-CG1 3.4Å; D216-I219 PolarHBondContact O-N 3.19Å; I219-S222 WeakPolarHBondContact CA-OG 3.33Å; I219-S222 PolarHBondContact O-N 3.19Å; I219-S222 PolarHBondContact O-OG 3.42Å; I219-L223 WeakPolarHBondContact O-CD1 3.42Å; I219-L223 VanDerWaalsContact O-CG 3.22Å; I219-L223 WeakPolarHBondContact O-CG 3.38Å; I219-L223 PolarHBondContact O-N 2.99Å |
| 220 | R | 77.5 | Confident | 65 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 32% | 0.317 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 175.4 | -78.1 | -168.1 | -173.7 | 130.4 | 26.7 | 113.4 | Y193 S195 D216 E217 S222 L223 K224 | Y193-R220 HydrophobicContact CD1-CG 4.1Å; S195-R220 PolarHBondContact OG-NH2 3.12Å; D216-R220 WeakPolarHBondContact O-CB 3.39Å; D216-R220 WeakPolarHBondContact O-CG 3.42Å; D216-R220 PolarHBondContact O-N 3.24Å; D216-R220 IonicContact OD1-CZ 3.91Å; D216-R220 IonicContact OD1-NH2 2.87Å; D216-R220 PolarHBondContact OD1-NH2 3.06Å; D216-R220 IonicContact OD2-CZ 2.85Å; D216-R220 IonicContact OD2-NE 3.67Å; D216-R220 IonicContact OD2-NH1 2.8Å; D216-R220 PolarHBondContact OD2-NH1 3.35Å; D216-R220 IonicContact OD2-NH2 2.76Å; D216-R220 PolarHBondContact OD2-NH2 3.21Å; E217-R220 PolarHBondContact O-N 3.08Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.37Å; R220-L223 CarbonylContact O-C 3.5Å; R220-L223 WeakPolarHBondContact O-CA 3.39Å; R220-L223 PolarHBondContact O-N 3.47Å; R220-K224 PolarHBondContact O-N 3.49Å |
| 221 | A | 71.6 | Confident | 62.4 | Low | 67 Ų | 67 | 104.5 Ų | 104.5 | 55% | 0.554 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -34.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E217 K218 L223 | E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.35Å; K218-A221 PolarHBondContact O-N 3.35Å; A221-L223 PolarHBondContact O-N 3.49Å |
| 222 | S | 62.3 | Low | 59.8 | Low | 98 Ų | 98 | 101.2 Ų | 101.2 | 69% | 0.685 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.6 | 170.2 | 69 | 0 | 0 | 0 | 0 | 114.4 | K218 I219 R220 | K218-S222 PolarHBondContact O-N 2.99Å; K218-S222 PolarHBondContact O-OG 2.86Å; I219-S222 WeakPolarHBondContact CA-OG 3.33Å; I219-S222 PolarHBondContact O-N 3.19Å; I219-S222 PolarHBondContact O-OG 3.42Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.37Å |
| 223 | L | 51.3 | Low | 57.3 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 44% | 0.44 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.1 | -11.9 | -177.9 | -68.9 | 160 | 0 | 0 | 0 | 114.2 | Y193 I219 R220 A221 P225 | Y193-L223 HydrophobicContact CD1-CD1 4.37Å; Y193-L223 HydrophobicContact CE1-CD1 3.22Å; Y193-L223 WeakPolarHBondContact OH-CD1 3.36Å; I219-L223 WeakPolarHBondContact O-CD1 3.42Å; I219-L223 VanDerWaalsContact O-CG 3.22Å; I219-L223 WeakPolarHBondContact O-CG 3.38Å; I219-L223 PolarHBondContact O-N 2.99Å; R220-L223 CarbonylContact O-C 3.5Å; R220-L223 WeakPolarHBondContact O-CA 3.39Å; R220-L223 PolarHBondContact O-N 3.47Å; A221-L223 PolarHBondContact O-N 3.49Å; L223-P225 WeakPolarHBondContact O-CD 3.42Å; L223-P225 VanDerWaalsContact O-N 3.12Å |
| 224 | K | 42.7 | Very low | 54.8 | Low | 168 Ų | 168 | 103.7 Ų | 103.7 | 73% | 0.73 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -54.8 | 123.3 | 172.9 | -89.4 | -174.4 | 177.6 | 178 | 0 | 107.2 | R220 S226 | R220-K224 PolarHBondContact O-N 3.49Å; K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 2.85Å |
| 225 | P | 37.9 | Very low | 52.8 | Low | 117 Ų | 117 | 112.3 Ų | 112.3 | 76% | 0.76 | 60% | 0.595 | S | S | * | * | trans | -63.4 | 104.9 | 171.9 | 25 | -28.8 | 0 | 0 | 0 | 105.6 | L223 V227 | L223-P225 WeakPolarHBondContact O-CD 3.42Å; L223-P225 VanDerWaalsContact O-N 3.12Å; P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 3.38Å | ||
| 226 | S | 33.1 | Very low | 50.9 | Low | 73 Ų | 73 | 112.4 Ų | 112.4 | 51% | 0.51 | 61% | 0.608 | S | S | . | * | trans | -52.3 | 107.2 | 160.8 | 49 | 0 | 0 | 0 | 0 | 106.3 | K224 Q228 A229 | K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 2.85Å; S226-Q228 PolarHBondContact O-N 2.88Å; S226-A229 PolarHBondContact O-N 3.38Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.04Å | ||
| 227 | V | 42.1 | Very low | 49.3 | Very low | 143 Ų | 143 | 117.5 Ų | 117.5 | 87% | 0.867 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 103.5 | 154.8 | -178.1 | 0 | 0 | 0 | 0 | 104.1 | P225 | P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 3.38Å |
| 228 | Q | 37.5 | Very low | 48.1 | Very low | 175 Ų | 175 | 114.4 Ų | 114.4 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.8 | 79.5 | -170.2 | -61.4 | 173.9 | -17.2 | 0 | 0 | 114.9 | S226 Q230 | S226-Q228 PolarHBondContact O-N 2.88Å; Q228-Q230 PolarHBondContact O-N 2.95Å |
| 229 | A | 33.4 | Very low | 47.4 | Very low | 68 Ų | 68 | 110.9 Ų | 110.9 | 56% | 0.562 | 62% | 0.62 | S | S | * | * | trans | -71.4 | 88.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | S226 M231 | S226-A229 PolarHBondContact O-N 3.38Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.04Å; A229-M231 PolarHBondContact O-N 3.4Å; A229-M231 VanDerWaalsContact O-N 3.12Å | ||
| 230 | Q | 31.4 | Very low | 47.5 | Very low | 177 Ų | 177 | 114.4 Ų | 114.4 | 83% | 0.827 | 65% | 0.645 | S | S | * | * | trans | -50.4 | 117.2 | 135.8 | -79 | -174.1 | -36.4 | 0 | 0 | 105.5 | Q228 S232 | Q228-Q230 PolarHBondContact O-N 2.95Å; Q230-S232 PolarHBondContact O-N 3.37Å | ||
| 231 | M | 31.6 | Very low | 48 | Very low | 161 Ų | 161 | 114.2 Ų | 114.2 | 79% | 0.793 | 65% | 0.65 | S | S | * | * | trans | -40.3 | 120.8 | 167 | -64.9 | 177.1 | 67.7 | 0 | 0 | 107 | A229 P233 | A229-M231 PolarHBondContact O-N 3.4Å; A229-M231 VanDerWaalsContact O-N 3.12Å; M231-P233 WeakPolarHBondContact O-CD 3.47Å | ||
| 232 | S | 26.6 | Very low | 49 | Very low | 108 Ų | 108 | 112.9 Ų | 112.9 | 76% | 0.755 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 123.2 | 155.5 | -51.1 | 0 | 0 | 0 | 0 | 104.3 | Q230 | Q230-S232 PolarHBondContact O-N 3.37Š|
| 233 | P | 32.9 | Very low | 50.5 | Low | 102 Ų | 102 | 109.6 Ų | 109.6 | 66% | 0.662 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 143.7 | 176.6 | 22.9 | -31.1 | 0 | 0 | 0 | 106.6 | M231 R235 | M231-P233 WeakPolarHBondContact O-CD 3.47Å; P233-R235 PolarHBondContact O-N 3.04Å |
| 234 | P | 36.5 | Very low | 52.5 | Low | 67 Ų | 67 | 105.8 Ų | 105.8 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -47.8 | 138.3 | 174 | 21.5 | -30.5 | 0 | 0 | 0 | 107.1 | S236 P238 | P234-S236 CarbonylContact C-O 3.56Å; P234-S236 VanDerWaalsContact C-O 3.29Å; P234-S236 WeakPolarHBondContact CB-O 3.47Å; P234-S236 WeakPolarHBondContact CG-O 3.13Å; P234-S236 CarbonylContact O-C 3.56Å; P234-S236 WeakPolarHBondContact O-CA 3.29Å; P234-S236 PolarHBondContact O-N 3.24Å; P234-P238 HydrophobicContact CG-CG 4.1Å |
| 235 | R | 44 | Very low | 54.6 | Low | 266 Ų | 266 | 100 Ų | 100 | 100% | 1.004 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -57.5 | 0.1 | -175.4 | -75 | -177.9 | 176.6 | -174.7 | -1.2 | 113.2 | P233 | P233-R235 PolarHBondContact O-N 3.04Š|
| 236 | S | 42 | Very low | 57.1 | Low | 86 Ų | 86 | 95 Ų | 95 | 60% | 0.601 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -139 | 138.2 | 158.2 | -6.6 | 0 | 0 | 0 | 0 | 106.2 | P234 | P234-S236 CarbonylContact C-O 3.56Å; P234-S236 VanDerWaalsContact C-O 3.29Å; P234-S236 WeakPolarHBondContact CB-O 3.47Å; P234-S236 WeakPolarHBondContact CG-O 3.13Å; P234-S236 CarbonylContact O-C 3.56Å; P234-S236 WeakPolarHBondContact O-CA 3.29Å; P234-S236 PolarHBondContact O-N 3.24Å |
| 237 | P | 52.8 | Low | 59.9 | Low | 111 Ų | 111 | 94 Ų | 94 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 142.5 | 168.5 | 21.4 | -31.3 | 0 | 0 | 0 | 109.3 | L239 | P237-L239 PolarHBondContact O-N 3.15Š|
| 238 | P | 60.4 | Low | 62.4 | Low | 61 Ų | 61 | 87.6 Ų | 87.6 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 138.6 | 177.8 | -8.9 | 17.9 | 0 | 0 | 0 | 107.9 | P234 Q242 | P234-P238 HydrophobicContact CG-CG 4.1Å; P238-Q242 HydrophobicContact CB-CB 4.04Å; P238-Q242 HydrophobicContact CB-CG 4.32Å |
| 239 | L | 69.9 | Low | 64.9 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -49 | 145.1 | 173.1 | -68 | 168.9 | 0 | 0 | 0 | 108.7 | P237 N241 Q242 R254 N300 | P237-L239 PolarHBondContact O-N 3.15Å; L239-N241 PolarHBondContact O-N 3.11Å; L239-Q242 HydrophobicContact CB-CB 4.22Å; L239-Q242 VanDerWaalsContact O-CB 3.27Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.37Å; L239-R254 PolarHBondContact O-NH1 2.94Å; L239-N300 HydrophobicContact CD1-CB 4.29Å |
| 240 | P | 80.2 | Confident | 67.6 | Low | 104 Ų | 104 | 83.4 Ų | 83.4 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -36.2 | -179.8 | -27.9 | 34.4 | 0 | 0 | 0 | 112.2 | R254 | P240-R254 PolarHBondContact O-NH1 3.26Š|
| 241 | N | 87.9 | Confident | 70.5 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 10 | -176.7 | -54.8 | -32.7 | 0 | 0 | 0 | 114 | L239 Q243 N300 S301 | L239-N241 PolarHBondContact O-N 3.11Å; N241-Q243 WeakPolarHBondContact O-CG 3.39Å; N241-Q243 PolarHBondContact O-N 3.43Å; N241-Q243 PolarHBondContact O-NE2 3.26Å; N241-N300 CarbonylContact C-O 3.55Å; N241-N300 VanDerWaalsContact C-O 3.27Å; N241-S301 PolarHBondContact ND2-O 3.11Å |
| 242 | Q | 91.8 | Very high | 73.3 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | trans | -52.1 | 123.8 | -179.1 | -173.4 | 75.5 | 24.1 | 0 | 0 | 110.9 | P238 L239 F244 V246 N300 | P238-Q242 HydrophobicContact CB-CB 4.04Å; P238-Q242 HydrophobicContact CB-CG 4.32Å; L239-Q242 HydrophobicContact CB-CB 4.22Å; L239-Q242 VanDerWaalsContact O-CB 3.27Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.37Å; Q242-F244 WeakPolarHBondContact CG-O 3.5Å; Q242-F244 PolarHBondContact NE2-O 3.01Å; Q242-V246 HydrophobicContact CB-CG2 3.99Å; Q242-V246 HydrophobicContact CG-CG2 3.5Å; Q242-N300 VanDerWaalsContact CD-CG 3.48Å; Q242-N300 PolarHBondContact N-O 3.38Å; Q242-N300 VanDerWaalsContact NE2-CG 3.27Å; Q242-N300 PolarHBondContact NE2-ND2 3Å; Q242-N300 PolarHBondContact NE2-OD1 2.81Å | ||
| 243 | Q | 93.6 | Very high | 76.3 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | trans | -105.5 | -41.6 | 178.8 | -61.2 | -57.9 | -57.9 | 0 | 0 | 112.3 | N241 V264 Y299 N300 F323 | N241-Q243 WeakPolarHBondContact O-CG 3.39Å; N241-Q243 PolarHBondContact O-N 3.43Å; N241-Q243 PolarHBondContact O-NE2 3.26Å; Q243-V264 HydrophobicContact CB-CG2 3.8Å; Q243-V264 HydrophobicContact CG-CG2 4.18Å; Q243-Y299 HydrophobicContact CG-CD1 4.44Å; Q243-N300 PolarHBondContact N-OD1 3.03Å; Q243-F323 WeakPolarHBondContact O-CE2 3.47Å | ||
| 244 | F | 93.6 | Very high | 78.9 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.018 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 143.5 | -178.7 | -68.3 | -98.9 | 0 | 0 | 0 | 111.2 | Q242 V246 V264 Q296 Y299 N300 I319 T322 F323 | Q242-F244 WeakPolarHBondContact CG-O 3.5Å; Q242-F244 PolarHBondContact NE2-O 3.01Å; F244-V246 VanDerWaalsContact C-N 3.29Å; F244-V246 PolarHBondContact O-N 2.99Å; F244-V264 HydrophobicContact CE2-CG1 4.48Å; F244-V264 HydrophobicContact CE2-CG2 4.16Å; F244-V264 HydrophobicContact CZ-CG1 3.93Å; F244-V264 HydrophobicContact CZ-CG2 4.39Å; F244-Q296 HydrophobicContact CD1-CG 4.06Å; F244-Q296 HydrophobicContact CD2-CB 4.22Å; F244-Q296 HydrophobicContact CD2-CG 4.08Å; F244-Q296 HydrophobicContact CE1-CG 3.81Å; F244-Q296 HydrophobicContact CE2-CB 4.16Å; F244-Q296 HydrophobicContact CE2-CG 3.85Å; F244-Q296 HydrophobicContact CG-CG 4.21Å; F244-Q296 HydrophobicContact CZ-CG 3.72Å; F244-Y299 AromaticContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CG 4.19Å; F244-Y299 HydrophobicContact CZ-CD2 4.38Å; F244-N300 PolarHBondContact N-OD1 2.82Å; F244-I319 HydrophobicContact CZ-CG2 4.05Å; F244-T322 HydrophobicContact CE1-CG2 4.39Å; F244-F323 HydrophobicContact CD1-CB 4.35Å; F244-F323 HydrophobicContact CD1-CD2 4.41Å; F244-F323 HydrophobicContact CE1-CB 3.79Å; F244-F323 HydrophobicContact CE1-CD2 4.36Å; F244-F323 HydrophobicContact CZ-CB 4.38Å |
| 245 | G | 88.4 | Confident | 81.1 | Confident | 47 Ų | 47 | 66 Ų | 66 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 15 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E326 | G245-E326 VanDerWaalsContact CA-O 3.24Å; G245-E326 WeakPolarHBondContact CA-O 3.41Å; G245-E326 PolarHBondContact N-O 3.38Å |
| 246 | V | 89.1 | Confident | 82.7 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | trans | -117.1 | 142.7 | -176.2 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | Q242 F244 M250 L251 | Q242-V246 HydrophobicContact CB-CG2 3.99Å; Q242-V246 HydrophobicContact CG-CG2 3.5Å; F244-V246 VanDerWaalsContact C-N 3.29Å; F244-V246 PolarHBondContact O-N 2.99Å; V246-M250 HydrophobicContact CG1-CB 3.73Å; V246-M250 HydrophobicContact CG1-CG 3.55Å; V246-L251 HydrophobicContact CB-CD2 3.93Å; V246-L251 HydrophobicContact CB-CG 4.13Å; V246-L251 HydrophobicContact CG1-CD2 3.86Å; V246-L251 HydrophobicContact CG1-CG 3.95Å | ||
| 247 | S | 92.4 | Very high | 84.6 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | trans | -69.7 | 147.1 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | M250 L251 | S247-M250 WeakPolarHBondContact O-CB 3.42Å; S247-M250 PolarHBondContact O-N 3.43Å; S247-M250 WeakPolarHBondContact OG-CB 3.43Å; S247-L251 PolarHBondContact O-N 3.16Å | ||
| 248 | L | 93.4 | Very high | 86 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.6 | -42.5 | 179.8 | -57.1 | 175.1 | 0 | 0 | 0 | 113.3 | M250 L251 R252 P262 F323 L327 L331 E365 | L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.38Å; L248-L251 HydrophobicContact CD2-CD1 4.48Å; L248-L251 PolarHBondContact O-N 3.25Å; L248-L251 VanDerWaalsContact O-N 3.16Å; L248-R252 PolarHBondContact O-N 3.07Å; L248-P262 HydrophobicContact CD2-CG 3.44Å; L248-P262 VanDerWaalsContact CD2-CG 3.44Å; L248-F323 HydrophobicContact CD2-CE1 4.4Å; L248-F323 HydrophobicContact CD2-CZ 4.27Å; L248-L327 HydrophobicContact CD2-CD1 4.39Å; L248-L327 HydrophobicContact CD2-CD2 3.86Å; L248-L327 HydrophobicContact CG-CD2 4.28Å; L248-L331 HydrophobicContact CD1-CD1 3.69Å; L248-E365 HydrophobicContact CB-CB 3.75Å; L248-E365 HydrophobicContact CB-CG 4.45Å; L248-E365 HydrophobicContact CD1-CB 4.36Å |
| 249 | P | 91.5 | Very high | 87.3 | Confident | 65 Ų | 65 | 61 Ų | 61 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -36.2 | 176.4 | -25.4 | 36.3 | 0 | 0 | 0 | 113.3 | A253 | P249-A253 WeakPolarHBondContact O-CB 3.46Å; P249-A253 PolarHBondContact O-N 3.41Å |
| 250 | M | 89.9 | Confident | 88.2 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 176.7 | 179.7 | 72.1 | 75 | 0 | 0 | 111.4 | V246 S247 L248 R254 | V246-M250 HydrophobicContact CG1-CB 3.73Å; V246-M250 HydrophobicContact CG1-CG 3.55Å; S247-M250 WeakPolarHBondContact O-CB 3.42Å; S247-M250 PolarHBondContact O-N 3.43Å; S247-M250 WeakPolarHBondContact OG-CB 3.43Å; L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.38Å; M250-R254 VanDerWaalsContact O-CG 3.29Å; M250-R254 WeakPolarHBondContact O-CG 3.27Å; M250-R254 PolarHBondContact O-N 3.48Å |
| 251 | L | 92 | Very high | 88.9 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 174.8 | -67.1 | 174.8 | 0 | 0 | 0 | 111.5 | V246 S247 L248 R254 S255 P262 F323 | V246-L251 HydrophobicContact CB-CD2 3.93Å; V246-L251 HydrophobicContact CB-CG 4.13Å; V246-L251 HydrophobicContact CG1-CD2 3.86Å; V246-L251 HydrophobicContact CG1-CG 3.95Å; S247-L251 PolarHBondContact O-N 3.16Å; L248-L251 HydrophobicContact CD2-CD1 4.48Å; L248-L251 PolarHBondContact O-N 3.25Å; L248-L251 VanDerWaalsContact O-N 3.16Å; L251-R254 PolarHBondContact O-N 3.19Å; L251-S255 PolarHBondContact O-N 2.81Å; L251-S255 VanDerWaalsContact O-N 3.11Å; L251-P262 HydrophobicContact CD1-CB 4.11Å; L251-P262 HydrophobicContact CD1-CG 4.15Å; L251-F323 HydrophobicContact CD1-CE2 3.88Å; L251-F323 HydrophobicContact CD1-CZ 3.73Å |
| 252 | R | 91.4 | Very high | 89.3 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 174.9 | -176.6 | -179.9 | -171.7 | -178.7 | 8.6 | 111.7 | L248 R254 S255 N258 E364 E365 | L248-R252 PolarHBondContact O-N 3.07Å; R252-R254 PolarHBondContact O-N 3.42Å; R252-S255 WeakPolarHBondContact O-CB 3.38Å; R252-S255 PolarHBondContact O-N 2.85Å; R252-N258 WeakPolarHBondContact CG-OD1 3.32Å; R252-N258 PolarHBondContact NE-O 3.05Å; R252-E364 IonicContact CZ-OE1 2.68Å; R252-E364 IonicContact CZ-OE2 3.27Å; R252-E364 IonicContact NH1-OE1 3.82Å; R252-E364 PolarHBondContact NH1-OE1 2.85Å; R252-E364 IonicContact NH1-OE2 3.41Å; R252-E364 PolarHBondContact NH1-OE2 3.04Å; R252-E364 IonicContact NH2-OE1 2.92Å; R252-E364 PolarHBondContact NH2-OE1 3.47Å; R252-E364 IonicContact NH2-OE2 3.68Å; R252-E365 HydrophobicContact CB-CG 4.37Å; R252-E365 WeakPolarHBondContact CD-OE1 3.2Å; R252-E365 IonicContact CZ-OE1 2.69Å; R252-E365 IonicContact NH1-OE1 3.88Å; R252-E365 PolarHBondContact NH1-OE1 3.24Å |
| 253 | A | 88.9 | Confident | 89.5 | Confident | 78 Ų | 78 | 50.8 Ų | 50.8 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.2 | -24.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P249 | P249-A253 WeakPolarHBondContact O-CB 3.46Å; P249-A253 PolarHBondContact O-N 3.41Å |
| 254 | R | 86.2 | Confident | 89.7 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 35% | 0.347 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -89.3 | -15.6 | 175.7 | -68.3 | 173.7 | -172 | -162.8 | -0.9 | 113.3 | L239 P240 M250 L251 R252 | L239-R254 PolarHBondContact O-NH1 2.94Å; P240-R254 PolarHBondContact O-NH1 3.26Å; M250-R254 VanDerWaalsContact O-CG 3.29Å; M250-R254 WeakPolarHBondContact O-CG 3.27Å; M250-R254 PolarHBondContact O-N 3.48Å; L251-R254 PolarHBondContact O-N 3.19Å; R252-R254 PolarHBondContact O-N 3.42Å |
| 255 | S | 83.2 | Confident | 89.9 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 22% | 0.217 | 29% | 0.292 | C | S | . | . | trans | -72.1 | 129.4 | 178.5 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | L251 R252 D257 N258 | L251-S255 PolarHBondContact O-N 2.81Å; L251-S255 VanDerWaalsContact O-N 3.11Å; R252-S255 WeakPolarHBondContact O-CB 3.38Å; R252-S255 PolarHBondContact O-N 2.85Å; S255-D257 PolarHBondContact O-N 2.97Å; S255-N258 PolarHBondContact O-N 3.5Å | ||
| 256 | S | 78.6 | Confident | 90.3 | Very high | 115 Ų | 115 | 50.3 Ų | 50.3 | 80% | 0.804 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.9 | 175.3 | 32.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 257 | D | 81.4 | Confident | 90.6 | Very high | 125 Ų | 125 | 52 Ų | 52 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 6.8 | -175.5 | -51.3 | -41.8 | 0 | 0 | 0 | 113.4 | S255 E259 | S255-D257 PolarHBondContact O-N 2.97Å; D257-E259 PolarHBondContact O-N 3.42Å |
| 258 | N | 82.4 | Confident | 90.9 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | trans | 52.6 | 26.8 | -174.7 | -164.4 | 46.3 | 0 | 0 | 0 | 114.2 | R252 S255 | R252-N258 WeakPolarHBondContact CG-OD1 3.32Å; R252-N258 PolarHBondContact NE-O 3.05Å; S255-N258 PolarHBondContact O-N 3.5Å | ||
| 259 | E | 87 | Confident | 91.1 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 41% | 0.407 | 27% | 0.272 | S | S | . | . | trans | -63.6 | 129.4 | -177 | -170.7 | 58.7 | -115.6 | 0 | 0 | 111.1 | D257 R266 | D257-E259 PolarHBondContact O-N 3.42Å; E259-R266 VanDerWaalsContact CG-NH1 3.26Å | ||
| 260 | A | 88.8 | Confident | 91.4 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -76 | -27.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T368 S369 | A260-T368 HydrophobicContact CB-CG2 3.91Å; A260-S369 PolarHBondContact O-OG 2.93Å |
| 261 | V | 96.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -89.2 | 122.4 | 176 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | M265 R266 T368 F372 | V261-M265 HydrophobicContact CG1-CB 3.92Å; V261-R266 HydrophobicContact CB-CG 4.18Å; V261-R266 HydrophobicContact CG1-CG 3.76Å; V261-R266 PolarHBondContact O-NH1 3.29Å; V261-T368 HydrophobicContact CG2-CG2 3.91Å; V261-F372 HydrophobicContact CG1-CB 4.47Å; V261-F372 HydrophobicContact CG1-CD1 3.57Å; V261-F372 HydrophobicContact CG1-CE1 3.85Å; V261-F372 HydrophobicContact CG1-CG 3.96Å; V261-F372 HydrophobicContact CG1-CZ 4.46Å; V261-F372 HydrophobicContact CG2-CB 3.95Å; V261-F372 HydrophobicContact CG2-CD2 4.45Å; V261-F372 HydrophobicContact CG2-CG 4.07Å |
| 262 | P | 95.9 | Very high | 92 | Very high | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | trans | -60.4 | 149.1 | -179.5 | -25.9 | 34.4 | 0 | 0 | 0 | 114.7 | L248 L251 V264 M265 R266 F323 S369 | L248-P262 HydrophobicContact CD2-CG 3.44Å; L248-P262 VanDerWaalsContact CD2-CG 3.44Å; L251-P262 HydrophobicContact CD1-CB 4.11Å; L251-P262 HydrophobicContact CD1-CG 4.15Å; P262-V264 VanDerWaalsContact C-N 3.34Å; P262-V264 PolarHBondContact O-N 3.43Å; P262-M265 HydrophobicContact CG-SD 4.33Å; P262-M265 WeakPolarHBondContact O-CB 3.36Å; P262-M265 PolarHBondContact O-N 3.11Å; P262-R266 PolarHBondContact O-N 2.89Å; P262-R266 VanDerWaalsContact O-N 3.12Å; P262-F323 HydrophobicContact CB-CE1 4.01Å; P262-F323 HydrophobicContact CB-CE2 4.3Å; P262-F323 HydrophobicContact CB-CZ 3.51Å; P262-F323 HydrophobicContact CG-CE1 3.92Å; P262-F323 HydrophobicContact CG-CZ 3.63Å; P262-S369 WeakPolarHBondContact CD-OG 3.45Å | ||
| 263 | L | 95.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 45.8 Ų | 45.8 | 34% | 0.34 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -50.5 | -49.5 | 179.8 | 177.9 | 66.8 | 0 | 0 | 0 | 112.8 | M265 R266 D267 Y299 | L263-M265 PolarHBondContact O-N 3.5Å; L263-R266 PolarHBondContact O-N 3.27Å; L263-D267 WeakPolarHBondContact CD1-OD1 3.41Å; L263-D267 PolarHBondContact O-N 2.75Å; L263-Y299 HydrophobicContact CD2-CE1 4.34Å; L263-Y299 HydrophobicContact CG-CE1 4.4Å |
| 264 | V | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.3 | -38.5 | -179.1 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | Q243 F244 P262 T268 Y299 I319 F323 | Q243-V264 HydrophobicContact CB-CG2 3.8Å; Q243-V264 HydrophobicContact CG-CG2 4.18Å; F244-V264 HydrophobicContact CE2-CG1 4.48Å; F244-V264 HydrophobicContact CE2-CG2 4.16Å; F244-V264 HydrophobicContact CZ-CG1 3.93Å; F244-V264 HydrophobicContact CZ-CG2 4.39Å; P262-V264 VanDerWaalsContact C-N 3.34Å; P262-V264 PolarHBondContact O-N 3.43Å; V264-T268 WeakPolarHBondContact O-CB 3.42Å; V264-T268 WeakPolarHBondContact O-CG2 3.35Å; V264-T268 PolarHBondContact O-N 3.46Å; V264-T268 PolarHBondContact O-OG1 3.07Å; V264-Y299 HydrophobicContact CG1-CE2 4.2Å; V264-Y299 HydrophobicContact CG2-CD1 3.86Å; V264-Y299 HydrophobicContact CG2-CD2 4.15Å; V264-Y299 HydrophobicContact CG2-CE1 4.04Å; V264-Y299 HydrophobicContact CG2-CE2 4.3Å; V264-Y299 HydrophobicContact CG2-CG 3.93Å; V264-I319 HydrophobicContact CG1-CG2 3.82Å; V264-F323 HydrophobicContact CB-CD2 3.86Å; V264-F323 HydrophobicContact CB-CE2 4.28Å; V264-F323 HydrophobicContact CB-CG 4.12Å; V264-F323 HydrophobicContact CG1-CB 3.88Å; V264-F323 HydrophobicContact CG1-CD2 4.06Å; V264-F323 HydrophobicContact CG1-CG 4.01Å; V264-F323 HydrophobicContact CG2-CD2 4.05Å; V264-F323 HydrophobicContact CG2-CE2 4.34Å |
| 265 | M | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.6 | -44 | 176.4 | -70.1 | -177 | 63.8 | 0 | 0 | 111.2 | V261 P262 L263 T268 V269 L320 F323 L324 S369 F372 L373 | V261-M265 HydrophobicContact CG1-CB 3.92Å; P262-M265 HydrophobicContact CG-SD 4.33Å; P262-M265 WeakPolarHBondContact O-CB 3.36Å; P262-M265 PolarHBondContact O-N 3.11Å; L263-M265 PolarHBondContact O-N 3.5Å; M265-T268 PolarHBondContact O-OG1 2.84Å; M265-V269 VanDerWaalsContact O-CB 3.22Å; M265-V269 WeakPolarHBondContact O-CB 3.16Å; M265-V269 WeakPolarHBondContact O-CG2 3.31Å; M265-V269 PolarHBondContact O-N 2.81Å; M265-L320 HydrophobicContact CB-CD1 4.31Å; M265-L320 HydrophobicContact CG-CD1 3.89Å; M265-F323 HydrophobicContact CG-CD1 3.67Å; M265-F323 HydrophobicContact CG-CE1 3.65Å; M265-F323 HydrophobicContact SD-CD1 4.15Å; M265-F323 HydrophobicContact SD-CE1 3.75Å; M265-L324 HydrophobicContact CE-CD2 4.45Å; M265-L324 HydrophobicContact SD-CD2 4.25Å; M265-S369 WeakPolarHBondContact CE-O 3.32Å; M265-F372 HydrophobicContact CB-CE1 4.38Å; M265-F372 HydrophobicContact CE-CD1 4.22Å; M265-L373 HydrophobicContact CE-CB 4.03Å |
| 266 | R | 96.8 | Very high | 93.6 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 179.8 | -60.7 | -170 | -49.2 | -107.9 | 8.7 | 111.8 | E259 V261 P262 L263 V269 A270 | E259-R266 VanDerWaalsContact CG-NH1 3.26Å; V261-R266 HydrophobicContact CB-CG 4.18Å; V261-R266 HydrophobicContact CG1-CG 3.76Å; V261-R266 PolarHBondContact O-NH1 3.29Å; P262-R266 PolarHBondContact O-N 2.89Å; P262-R266 VanDerWaalsContact O-N 3.12Å; L263-R266 PolarHBondContact O-N 3.27Å; R266-V269 PolarHBondContact O-N 3.47Å; R266-A270 WeakPolarHBondContact O-CB 3.38Å; R266-A270 PolarHBondContact O-N 2.85Å |
| 267 | D | 96.5 | Very high | 94.5 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -47 | -177.6 | -65.6 | -7.4 | 0 | 0 | 0 | 111.7 | L263 F271 Y299 F307 | L263-D267 WeakPolarHBondContact CD1-OD1 3.41Å; L263-D267 PolarHBondContact O-N 2.75Å; D267-F271 WeakPolarHBondContact O-CB 2.95Å; D267-F271 PolarHBondContact O-N 3.28Å; D267-F271 VanDerWaalsContact O-N 3.08Å; D267-Y299 WeakPolarHBondContact CB-OH 3.35Å; D267-Y299 VanDerWaalsContact OD2-CE1 3.32Å; D267-Y299 WeakPolarHBondContact OD2-CE1 3.37Å; D267-Y299 PolarHBondContact OD2-OH 3.48Å; D267-F307 HydrophobicContact CB-CE2 4.2Å |
| 268 | T | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -42.4 | -179.7 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | V264 M265 L272 F307 A316 I319 L320 | V264-T268 WeakPolarHBondContact O-CB 3.42Å; V264-T268 WeakPolarHBondContact O-CG2 3.35Å; V264-T268 PolarHBondContact O-N 3.46Å; V264-T268 PolarHBondContact O-OG1 3.07Å; M265-T268 PolarHBondContact O-OG1 2.84Å; T268-L272 VanDerWaalsContact O-CB 3.3Å; T268-L272 WeakPolarHBondContact O-CB 3.36Å; T268-L272 WeakPolarHBondContact O-CD1 3.09Å; T268-L272 WeakPolarHBondContact O-CG 3.44Å; T268-L272 PolarHBondContact O-N 3.45Å; T268-F307 HydrophobicContact CG2-CE1 4.47Å; T268-F307 HydrophobicContact CG2-CE2 3.6Å; T268-F307 HydrophobicContact CG2-CZ 3.52Å; T268-A316 HydrophobicContact CG2-CB 4.35Å; T268-A316 WeakPolarHBondContact CG2-O 3.39Å; T268-I319 HydrophobicContact CG2-CB 4.18Å; T268-I319 HydrophobicContact CG2-CG2 3.8Å; T268-L320 HydrophobicContact CG2-CB 4.38Å |
| 269 | V | 98.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | 177.7 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | M265 R266 F271 L272 M273 L320 F372 F376 | M265-V269 VanDerWaalsContact O-CB 3.22Å; M265-V269 WeakPolarHBondContact O-CB 3.16Å; M265-V269 WeakPolarHBondContact O-CG2 3.31Å; M265-V269 PolarHBondContact O-N 2.81Å; R266-V269 PolarHBondContact O-N 3.47Å; V269-F271 PolarHBondContact O-N 2.84Å; V269-L272 PolarHBondContact O-N 3.34Å; V269-M273 HydrophobicContact CG1-CG 4.22Å; V269-M273 WeakPolarHBondContact O-CB 3.05Å; V269-M273 VanDerWaalsContact O-CG 3.3Å; V269-M273 WeakPolarHBondContact O-CG 3.42Å; V269-M273 PolarHBondContact O-N 3.13Å; V269-L320 HydrophobicContact CG2-CD2 3.95Å; V269-F372 HydrophobicContact CB-CE1 3.71Å; V269-F372 HydrophobicContact CB-CZ 3.79Å; V269-F372 HydrophobicContact CG1-CE1 3.87Å; V269-F372 HydrophobicContact CG1-CE2 4.45Å; V269-F372 HydrophobicContact CG1-CZ 3.62Å; V269-F372 HydrophobicContact CG2-CD1 4.47Å; V269-F372 HydrophobicContact CG2-CE1 3.66Å; V269-F372 HydrophobicContact CG2-CZ 4.25Å; V269-F376 HydrophobicContact CB-CG 4.43Å; V269-F376 HydrophobicContact CG1-CB 3.82Å; V269-F376 HydrophobicContact CG1-CD1 4.29Å; V269-F376 HydrophobicContact CG1-CD2 3.76Å; V269-F376 HydrophobicContact CG1-CE2 4.4Å; V269-F376 HydrophobicContact CG1-CG 3.68Å; V269-F376 HydrophobicContact CG2-CB 4.44Å; V269-F376 HydrophobicContact CG2-CD1 3.78Å; V269-F376 HydrophobicContact CG2-CE1 4.16Å; V269-F376 HydrophobicContact CG2-CG 4.02Å |
| 270 | A | 97.1 | Very high | 96.2 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.9 | -49.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R266 L272 M273 E274 | R266-A270 WeakPolarHBondContact O-CB 3.38Å; R266-A270 PolarHBondContact O-N 2.85Å; A270-L272 PolarHBondContact O-N 2.87Å; A270-M273 PolarHBondContact O-N 3.31Å; A270-E274 PolarHBondContact O-N 3.2Å |
| 271 | F | 97.5 | Very high | 96.2 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.9 | 174.8 | -104 | 0 | 0 | 0 | 112.9 | D267 V269 M273 E274 Q275 F307 V313 A316 | D267-F271 WeakPolarHBondContact O-CB 2.95Å; D267-F271 PolarHBondContact O-N 3.28Å; D267-F271 VanDerWaalsContact O-N 3.08Å; V269-F271 PolarHBondContact O-N 2.84Å; F271-M273 VanDerWaalsContact C-N 3.34Å; F271-E274 PolarHBondContact O-N 2.97Å; F271-Q275 HydrophobicContact CD2-CG 4.29Å; F271-Q275 HydrophobicContact CE2-CB 4.07Å; F271-Q275 HydrophobicContact CE2-CG 3.86Å; F271-Q275 HydrophobicContact CZ-CB 4.11Å; F271-Q275 HydrophobicContact CZ-CG 4.37Å; F271-Q275 PolarHBondContact O-N 3.42Å; F271-F307 HydrophobicContact CB-CB 4.08Å; F271-F307 HydrophobicContact CB-CD2 4.28Å; F271-F307 HydrophobicContact CD1-CB 3.57Å; F271-F307 HydrophobicContact CD1-CG 4.16Å; F271-F307 HydrophobicContact CD2-CB 3.62Å; F271-F307 HydrophobicContact CE1-CB 3.79Å; F271-F307 HydrophobicContact CE2-CB 3.86Å; F271-F307 HydrophobicContact CG-CB 3.45Å; F271-F307 VanDerWaalsContact CG-CB 3.45Å; F271-F307 HydrophobicContact CG-CD2 4.49Å; F271-F307 HydrophobicContact CG-CG 4.24Å; F271-F307 HydrophobicContact CZ-CB 3.93Å; F271-V313 HydrophobicContact CE1-CB 4.46Å; F271-V313 HydrophobicContact CE1-CG1 3.99Å; F271-V313 HydrophobicContact CZ-CG2 4.38Å; F271-A316 HydrophobicContact CD1-CB 3.55Å; F271-A316 HydrophobicContact CE1-CB 3.98Å |
| 272 | L | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.4 | -26.8 | -179.1 | -69.4 | 171.1 | 0 | 0 | 0 | 113.2 | T268 V269 A270 E274 G276 L277 I282 F283 V313 A316 A317 F376 | T268-L272 VanDerWaalsContact O-CB 3.3Å; T268-L272 WeakPolarHBondContact O-CB 3.36Å; T268-L272 WeakPolarHBondContact O-CD1 3.09Å; T268-L272 WeakPolarHBondContact O-CG 3.44Å; T268-L272 PolarHBondContact O-N 3.45Å; V269-L272 PolarHBondContact O-N 3.34Å; A270-L272 PolarHBondContact O-N 2.87Å; L272-E274 VanDerWaalsContact C-N 3.32Å; L272-G276 CarbonylContact O-C 3.27Å; L272-G276 WeakPolarHBondContact O-CA 3.48Å; L272-G276 PolarHBondContact O-N 3.23Å; L272-L277 PolarHBondContact O-N 3.06Å; L272-I282 HydrophobicContact CD2-CD1 3.85Å; L272-I282 HydrophobicContact CD2-CG1 4.34Å; L272-F283 HydrophobicContact CD1-CE1 4.01Å; L272-F283 HydrophobicContact CD1-CZ 3.64Å; L272-V313 HydrophobicContact CD2-CG1 4.01Å; L272-A316 HydrophobicContact CD1-CB 4.23Å; L272-A316 HydrophobicContact CD2-CB 4.03Å; L272-A316 HydrophobicContact CG-CB 3.98Å; L272-A317 HydrophobicContact CD1-CB 4.11Å; L272-A317 HydrophobicContact CD2-CB 4.36Å; L272-F376 HydrophobicContact CB-CE2 3.9Å; L272-F376 HydrophobicContact CB-CZ 3.63Å; L272-F376 HydrophobicContact CD1-CE1 4.49Å; L272-F376 HydrophobicContact CD1-CZ 4.01Å; L272-F376 HydrophobicContact CG-CZ 4.47Å |
| 273 | M | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 169.5 | -78.1 | -65.3 | -158.8 | 0 | 0 | 111.5 | V269 A270 F271 L277 F376 Q379 | V269-M273 HydrophobicContact CG1-CG 4.22Å; V269-M273 WeakPolarHBondContact O-CB 3.05Å; V269-M273 VanDerWaalsContact O-CG 3.3Å; V269-M273 WeakPolarHBondContact O-CG 3.42Å; V269-M273 PolarHBondContact O-N 3.13Å; A270-M273 PolarHBondContact O-N 3.31Å; F271-M273 VanDerWaalsContact C-N 3.34Å; M273-L277 WeakPolarHBondContact O-CD1 3.32Å; M273-L277 HydrophobicContact SD-CD1 4.39Å; M273-L277 HydrophobicContact SD-CD2 4.22Å; M273-F376 HydrophobicContact CE-CB 3.98Å; M273-F376 HydrophobicContact CE-CD2 3.54Å; M273-F376 HydrophobicContact CE-CG 4.24Å; M273-F376 HydrophobicContact CG-CD2 3.91Å; M273-F376 HydrophobicContact CG-CE2 4.18Å; M273-F376 HydrophobicContact SD-CD2 3.65Å; M273-F376 HydrophobicContact SD-CE2 4.11Å; M273-Q379 HydrophobicContact CE-CB 4.15Å; M273-Q379 HydrophobicContact CE-CG 4Å; M273-Q379 VanDerWaalsContact CE-NE2 3.29Å; M273-Q379 HydrophobicContact SD-CB 4.23Å; M273-Q379 PolarHBondContact SD-OE1 3.17Å; M273-Q379 VanDerWaalsContact SD-OE1 3.33Å |
| 274 | E | 95.5 | Very high | 95.9 | Very high | 149 Ų | 149 | 49.9 Ų | 49.9 | 70% | 0.696 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -80 | -41.1 | -178.6 | -68.8 | 179.7 | -178.3 | 0 | 0 | 113.2 | A270 F271 L272 | A270-E274 PolarHBondContact O-N 3.2Å; F271-E274 PolarHBondContact O-N 2.97Å; L272-E274 VanDerWaalsContact C-N 3.32Å |
| 275 | Q | 94.9 | Very high | 95.2 | Very high | 112 Ų | 112 | 56.9 Ų | 56.9 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -122.6 | -10.2 | -168.1 | -58.7 | -60.6 | -48.4 | 0 | 0 | 114.2 | F271 I279 | F271-Q275 HydrophobicContact CD2-CG 4.29Å; F271-Q275 HydrophobicContact CE2-CB 4.07Å; F271-Q275 HydrophobicContact CE2-CG 3.86Å; F271-Q275 HydrophobicContact CZ-CB 4.11Å; F271-Q275 HydrophobicContact CZ-CG 4.37Å; F271-Q275 PolarHBondContact O-N 3.42Å; Q275-I279 VanDerWaalsContact O-CG1 3.25Å; Q275-I279 WeakPolarHBondContact O-CG1 3.33Å |
| 276 | G | 94.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -19.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116 | L272 E278 I279 | L272-G276 CarbonylContact O-C 3.27Å; L272-G276 WeakPolarHBondContact O-CA 3.48Å; L272-G276 PolarHBondContact O-N 3.23Å; G276-E278 VanDerWaalsContact C-N 3.31Å; G276-E278 PolarHBondContact O-N 3.46Å; G276-I279 PolarHBondContact O-N 3.28Å |
| 277 | L | 97.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.3 | -168.9 | -64.9 | -177.7 | 0 | 0 | 0 | 114.3 | L272 M273 F376 Q379 V380 Q383 N387 | L272-L277 PolarHBondContact O-N 3.06Å; M273-L277 WeakPolarHBondContact O-CD1 3.32Å; M273-L277 HydrophobicContact SD-CD1 4.39Å; M273-L277 HydrophobicContact SD-CD2 4.22Å; L277-F376 HydrophobicContact CD2-CE2 4.42Å; L277-Q379 HydrophobicContact CD2-CB 4.45Å; L277-V380 HydrophobicContact CD2-CG2 3.89Å; L277-Q383 HydrophobicContact CB-CG 4.36Å; L277-Q383 WeakPolarHBondContact O-CB 3.37Å; L277-N387 WeakPolarHBondContact O-CB 3.06Å; L277-N387 PolarHBondContact O-ND2 2.77Å |
| 278 | E | 96.7 | Very high | 93.2 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -0.1 | -179.3 | -66.6 | -174.4 | -173.2 | 0 | 0 | 113.1 | G276 E280 I386 | G276-E278 VanDerWaalsContact C-N 3.31Å; G276-E278 PolarHBondContact O-N 3.46Å; E278-E280 PolarHBondContact O-N 3.19Å; E278-I386 HydrophobicContact CB-CG2 3.99Å; E278-I386 HydrophobicContact CG-CD1 4.1Å; E278-I386 HydrophobicContact CG-CG2 4.4Å; E278-I386 WeakPolarHBondContact O-CG2 3.48Å |
| 279 | I | 96.7 | Very high | 92.5 | Very high | 54 Ų | 54 | 66 Ų | 66 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | trans | -75.8 | 118.9 | -175.5 | -59 | -58.9 | 0 | 0 | 0 | 111 | Q275 G276 G281 I282 V313 H314 N387 | Q275-I279 VanDerWaalsContact O-CG1 3.25Å; Q275-I279 WeakPolarHBondContact O-CG1 3.33Å; G276-I279 PolarHBondContact O-N 3.28Å; I279-G281 PolarHBondContact O-N 2.7Å; I279-I282 HydrophobicContact CB-CB 4.45Å; I279-I282 WeakPolarHBondContact O-CB 3.39Å; I279-I282 PolarHBondContact O-N 3.06Å; I279-I282 VanDerWaalsContact O-N 3.15Å; I279-V313 HydrophobicContact CG1-CB 4.35Å; I279-V313 HydrophobicContact CG1-CG1 3.98Å; I279-H314 VanDerWaalsContact CG2-CE1 3.44Å; I279-H314 WeakPolarHBondContact CG2-CE1 3.38Å; I279-N387 VanDerWaalsContact O-CB 3.3Å; I279-N387 WeakPolarHBondContact O-CB 3.37Å | ||
| 280 | E | 93.8 | Very high | 91.9 | Very high | 135 Ų | 135 | 70.8 Ų | 70.8 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125 | 179 | -169.4 | -178.9 | 152.6 | 0 | 0 | 112.5 | E278 I282 H314 K388 | E278-E280 PolarHBondContact O-N 3.19Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 2.83Å; E280-H314 PolarHBondContact O-CE1 2.95Å; E280-K388 HydrophobicContact CG-CG 3.98Å |
| 281 | G | 88.8 | Confident | 91.5 | Very high | 7 Ų | 7 | 72 Ų | 72 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 24.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I279 F283 R284 R285 N387 | I279-G281 PolarHBondContact O-N 2.7Å; G281-F283 PolarHBondContact O-N 2.92Å; G281-R284 WeakPolarHBondContact O-CA 3.07Å; G281-R284 WeakPolarHBondContact O-CB 3.43Å; G281-R284 PolarHBondContact O-N 3.49Å; G281-R285 PolarHBondContact O-N 3.26Å; G281-N387 PolarHBondContact N-O 3.22Å |
| 282 | I | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 138.4 | 171.3 | -165.5 | 60.9 | 0 | 0 | 0 | 110.7 | L272 I279 E280 R284 V313 A317 V380 N387 M389 | L272-I282 HydrophobicContact CD2-CD1 3.85Å; L272-I282 HydrophobicContact CD2-CG1 4.34Å; I279-I282 HydrophobicContact CB-CB 4.45Å; I279-I282 WeakPolarHBondContact O-CB 3.39Å; I279-I282 PolarHBondContact O-N 3.06Å; I279-I282 VanDerWaalsContact O-N 3.15Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 2.83Å; I282-R284 PolarHBondContact O-N 3.02Å; I282-V313 HydrophobicContact CD1-CG1 4.37Å; I282-A317 HydrophobicContact CD1-CB 3.62Å; I282-A317 HydrophobicContact CG1-CB 4.19Å; I282-V380 HydrophobicContact CG2-CG1 3.8Å; I282-N387 HydrophobicContact CG2-CB 4.26Å; I282-M389 HydrophobicContact CG2-CG 4.13Å; I282-M389 WeakPolarHBondContact O-CE 3.44Å; I282-M389 VanDerWaalsContact O-CG 3.22Å; I282-M389 WeakPolarHBondContact O-CG 3.22Å |
| 283 | F | 95.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 78.3 Ų | 78.3 | 0% | 0.004 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | -16.1 | -167 | -54.5 | -71.5 | 0 | 0 | 0 | 117.9 | L272 G281 A317 L320 K321 F376 L377 V380 L394 V397 F398 | L272-F283 HydrophobicContact CD1-CE1 4.01Å; L272-F283 HydrophobicContact CD1-CZ 3.64Å; G281-F283 PolarHBondContact O-N 2.92Å; F283-A317 HydrophobicContact CD1-CB 3.55Å; F283-A317 HydrophobicContact CE1-CB 3.49Å; F283-A317 VanDerWaalsContact CE1-CB 3.49Å; F283-A317 HydrophobicContact CG-CB 4.21Å; F283-A317 HydrophobicContact CZ-CB 4.11Å; F283-L320 HydrophobicContact CE1-CD2 4.02Å; F283-L320 HydrophobicContact CZ-CD2 4.3Å; F283-K321 HydrophobicContact CB-CD 4.47Å; F283-K321 HydrophobicContact CD1-CD 4.19Å; F283-K321 HydrophobicContact CD1-CG 4.22Å; F283-K321 PolarHBondContact O-NZ 2.67Å; F283-F376 HydrophobicContact CE1-CE1 4.45Å; F283-F376 AromaticContact CE2-CE1 3.89Å; F283-F376 HydrophobicContact CE2-CE1 3.89Å; F283-F376 AromaticContact CE2-CZ 3.93Å; F283-F376 HydrophobicContact CE2-CZ 3.93Å; F283-F376 AromaticContact CZ-CE1 3.42Å; F283-F376 HydrophobicContact CZ-CE1 3.42Å; F283-F376 VanDerWaalsContact CZ-CE1 3.42Å; F283-F376 AromaticContact CZ-CZ 3.63Å; F283-F376 HydrophobicContact CZ-CZ 3.63Å; F283-L377 HydrophobicContact CE2-CD2 4.17Å; F283-L377 HydrophobicContact CZ-CD2 4.46Å; F283-V380 HydrophobicContact CD2-CG1 4.43Å; F283-V380 HydrophobicContact CE2-CG1 4.33Å; F283-V380 HydrophobicContact CE2-CG2 4.04Å; F283-L394 HydrophobicContact CD2-CD2 3.94Å; F283-V397 HydrophobicContact CB-CG2 3.95Å; F283-F398 HydrophobicContact CB-CE2 4.04Å; F283-F398 AromaticContact CD1-CE2 3.58Å; F283-F398 HydrophobicContact CD1-CE2 3.58Å; F283-F398 AromaticContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD2-CE2 4.03Å; F283-F398 HydrophobicContact CE1-CE2 4.07Å; F283-F398 AromaticContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE2-CE2 4.46Å; F283-F398 AromaticContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CZ 4.02Å; F283-F398 HydrophobicContact CZ-CE2 4.49Å; F283-F398 HydrophobicContact CZ-CZ 4.24Å |
| 284 | R | 88.9 | Confident | 90.4 | Very high | 183 Ų | 183 | 79.4 Ų | 79.4 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -40.4 | 175.6 | -178.1 | 179.9 | 176.1 | -168.4 | -1.4 | 112.5 | G281 I282 M389 | G281-R284 WeakPolarHBondContact O-CA 3.07Å; G281-R284 WeakPolarHBondContact O-CB 3.43Å; G281-R284 PolarHBondContact O-N 3.49Å; I282-R284 PolarHBondContact O-N 3.02Å; R284-M389 HydrophobicContact CB-CE 4.1Å; R284-M389 HydrophobicContact CB-SD 3.82Å |
| 285 | R | 83.5 | Confident | 90.4 | Very high | 147 Ų | 147 | 72.3 Ų | 72.3 | 56% | 0.555 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -76.1 | 149.5 | -177.7 | -64.6 | -178.3 | 66.9 | -168 | 5.5 | 111.6 | G281 H314 | G281-R285 PolarHBondContact O-N 3.26Å; R285-H314 WeakPolarHBondContact CD-NE2 3.45Å; R285-H314 PolarHBondContact NH1-NE2 3.09Å |
| 286 | S | 80.9 | Confident | 90.3 | Very high | 112 Ų | 112 | 68.6 Ų | 68.6 | 78% | 0.783 | 35% | 0.345 | S | S | * | . | trans | -83 | 150.2 | 174.3 | -60 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 287 | A | 83.3 | Confident | 90.1 | Very high | 14 Ų | 14 | 73.6 Ų | 73.6 | 12% | 0.116 | 37% | 0.368 | C | S | . | . | trans | -105.7 | 168.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V289 V292 L315 V318 | A287-V289 PolarHBondContact O-N 2.7Å; A287-V292 HydrophobicContact CB-CG2 4.17Å; A287-L315 HydrophobicContact CB-CB 4.29Å; A287-L315 HydrophobicContact CB-CD1 4.14Å; A287-V318 HydrophobicContact CB-CB 4.02Å; A287-V318 HydrophobicContact CB-CG1 4.46Å; A287-V318 HydrophobicContact CB-CG2 3.75Å | ||
| 288 | N | 84.6 | Confident | 89.9 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -61.8 | 120.8 | 176.2 | -174.8 | -52.3 | 0 | 0 | 0 | 111.2 | T290 L291 V292 | N288-T290 VanDerWaalsContact C-N 3.27Å; N288-T290 PolarHBondContact O-N 3.48Å; N288-T290 WeakPolarHBondContact OD1-CA 3.35Å; N288-T290 VanDerWaalsContact OD1-CB 3.27Å; N288-T290 WeakPolarHBondContact OD1-CB 3.32Å; N288-T290 PolarHBondContact OD1-N 2.82Å; N288-L291 HydrophobicContact CB-CB 4.17Å; N288-L291 HydrophobicContact CB-CD1 3.97Å; N288-L291 HydrophobicContact CB-CG 4.03Å; N288-L291 PolarHBondContact O-N 3.3Å; N288-L291 PolarHBondContact OD1-N 2.69Å; N288-V292 WeakPolarHBondContact O-CG2 3.36Å; N288-V292 PolarHBondContact O-N 3.29Å | ||
| 289 | V | 83.4 | Confident | 89.9 | Confident | 98 Ų | 98 | 69 Ų | 69 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.6 | -33.5 | -176.1 | 179.6 | 0 | 0 | 0 | 0 | 112.6 | A287 K293 | A287-V289 PolarHBondContact O-N 2.7Å; V289-K293 WeakPolarHBondContact O-CG 3.47Å; V289-K293 PolarHBondContact O-N 3.47Å; V289-K293 VanDerWaalsContact O-N 3.13Å |
| 290 | T | 85.8 | Confident | 89.7 | Confident | 105 Ų | 105 | 67.2 Ų | 67.2 | 64% | 0.644 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.4 | -45.3 | 177.5 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | N288 V292 K293 D294 | N288-T290 VanDerWaalsContact C-N 3.27Å; N288-T290 PolarHBondContact O-N 3.48Å; N288-T290 WeakPolarHBondContact OD1-CA 3.35Å; N288-T290 VanDerWaalsContact OD1-CB 3.27Å; N288-T290 WeakPolarHBondContact OD1-CB 3.32Å; N288-T290 PolarHBondContact OD1-N 2.82Å; T290-V292 VanDerWaalsContact C-N 3.32Å; T290-V292 PolarHBondContact O-N 3.02Å; T290-K293 PolarHBondContact O-N 2.92Å; T290-D294 PolarHBondContact O-N 2.9Å |
| 291 | L | 89.2 | Confident | 89.5 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 175.8 | -66.1 | -179.7 | 0 | 0 | 0 | 111.8 | N288 K293 D294 V295 L315 | N288-L291 HydrophobicContact CB-CB 4.17Å; N288-L291 HydrophobicContact CB-CD1 3.97Å; N288-L291 HydrophobicContact CB-CG 4.03Å; N288-L291 PolarHBondContact O-N 3.3Å; N288-L291 PolarHBondContact OD1-N 2.69Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 2.69Å; L291-D294 PolarHBondContact O-N 2.85Å; L291-V295 WeakPolarHBondContact O-CG2 3.42Å; L291-V295 PolarHBondContact O-N 2.89Å; L291-L315 HydrophobicContact CB-CD1 4.16Å; L291-L315 HydrophobicContact CB-CD2 3.96Å; L291-L315 HydrophobicContact CD1-CD2 4.39Å |
| 292 | V | 90 | Very high | 89.6 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 174.4 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | A287 N288 T290 Q296 L315 V318 I319 | A287-V292 HydrophobicContact CB-CG2 4.17Å; N288-V292 WeakPolarHBondContact O-CG2 3.36Å; N288-V292 PolarHBondContact O-N 3.29Å; T290-V292 VanDerWaalsContact C-N 3.32Å; T290-V292 PolarHBondContact O-N 3.02Å; V292-Q296 WeakPolarHBondContact O-CG 3.25Å; V292-Q296 PolarHBondContact O-N 2.9Å; V292-L315 HydrophobicContact CB-CD1 4.35Å; V292-L315 HydrophobicContact CG2-CD1 3.54Å; V292-V318 HydrophobicContact CG1-CG1 4.48Å; V292-V318 HydrophobicContact CG2-CB 4.41Å; V292-V318 HydrophobicContact CG2-CG1 3.69Å; V292-I319 HydrophobicContact CB-CD1 4.43Å; V292-I319 HydrophobicContact CG1-CD1 3.99Å |
| 293 | K | 88.1 | Confident | 89.4 | Confident | 142 Ų | 142 | 69.2 Ų | 69.2 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 177.5 | -72.4 | 179.5 | 180 | -178 | 0 | 112.5 | V289 T290 L291 Q296 H297 | V289-K293 WeakPolarHBondContact O-CG 3.47Å; V289-K293 PolarHBondContact O-N 3.47Å; V289-K293 VanDerWaalsContact O-N 3.13Å; T290-K293 PolarHBondContact O-N 2.92Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 2.69Å; K293-Q296 PolarHBondContact O-N 3.23Å; K293-H297 WeakPolarHBondContact O-CB 3.38Å; K293-H297 PolarHBondContact O-N 3.33Å |
| 294 | D | 91.1 | Very high | 89.1 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 176.6 | -175.7 | 67 | 0 | 0 | 0 | 111.6 | T290 L291 Q296 H297 R298 | T290-D294 PolarHBondContact O-N 2.9Å; L291-D294 PolarHBondContact O-N 2.85Å; D294-Q296 PolarHBondContact O-N 2.8Å; D294-H297 WeakPolarHBondContact O-CB 3.34Å; D294-H297 PolarHBondContact O-N 2.95Å; D294-H297 VanDerWaalsContact O-N 3.11Å; D294-R298 WeakPolarHBondContact O-CG 3.3Å; D294-R298 PolarHBondContact O-N 3.31Å |
| 295 | V | 94.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | L291 H297 R298 Y299 V305 F307 M310 L315 I319 | L291-V295 WeakPolarHBondContact O-CG2 3.42Å; L291-V295 PolarHBondContact O-N 2.89Å; V295-H297 VanDerWaalsContact C-N 3.31Å; V295-H297 PolarHBondContact O-N 3.35Å; V295-R298 PolarHBondContact O-N 2.73Å; V295-Y299 HydrophobicContact CG1-CD2 3.77Å; V295-Y299 HydrophobicContact CG1-CE2 3.7Å; V295-Y299 WeakPolarHBondContact O-CD2 3.4Å; V295-Y299 PolarHBondContact O-N 3.4Å; V295-V305 HydrophobicContact CG1-CG1 3.92Å; V295-F307 HydrophobicContact CG1-CE1 4.2Å; V295-F307 HydrophobicContact CG1-CZ 4.24Å; V295-M310 HydrophobicContact CG2-CE 3.59Å; V295-M310 HydrophobicContact CG2-SD 3.98Å; V295-L315 HydrophobicContact CG2-CD2 4.11Å; V295-I319 HydrophobicContact CB-CD1 3.86Å; V295-I319 HydrophobicContact CB-CG1 4.31Å; V295-I319 HydrophobicContact CG1-CD1 3.73Å; V295-I319 HydrophobicContact CG1-CG1 3.9Å; V295-I319 HydrophobicContact CG1-CG2 4.4Å |
| 296 | Q | 93.4 | Very high | 89.6 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 15% | 0.154 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 172.9 | -75.1 | -178.4 | 48.5 | 0 | 0 | 112.1 | F244 V292 K293 D294 Y299 N300 I319 | F244-Q296 HydrophobicContact CD1-CG 4.06Å; F244-Q296 HydrophobicContact CD2-CB 4.22Å; F244-Q296 HydrophobicContact CD2-CG 4.08Å; F244-Q296 HydrophobicContact CE1-CG 3.81Å; F244-Q296 HydrophobicContact CE2-CB 4.16Å; F244-Q296 HydrophobicContact CE2-CG 3.85Å; F244-Q296 HydrophobicContact CG-CG 4.21Å; F244-Q296 HydrophobicContact CZ-CG 3.72Å; V292-Q296 WeakPolarHBondContact O-CG 3.25Å; V292-Q296 PolarHBondContact O-N 2.9Å; K293-Q296 PolarHBondContact O-N 3.23Å; D294-Q296 PolarHBondContact O-N 2.8Å; Q296-Y299 PolarHBondContact O-N 2.82Å; Q296-N300 WeakPolarHBondContact O-CB 3.3Å; Q296-N300 PolarHBondContact O-N 2.88Å; Q296-N300 PolarHBondContact O-ND2 3.44Å; Q296-N300 VanDerWaalsContact O-ND2 3.09Å; Q296-I319 HydrophobicContact CG-CD1 4.2Å |
| 297 | H | 91.1 | Very high | 90 | Very high | 107 Ų | 107 | 58.9 Ų | 58.9 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 177.9 | -179.9 | 59.4 | 0 | 0 | 0 | 111.2 | K293 D294 V295 Y299 N300 S301 | K293-H297 WeakPolarHBondContact O-CB 3.38Å; K293-H297 PolarHBondContact O-N 3.33Å; D294-H297 WeakPolarHBondContact O-CB 3.34Å; D294-H297 PolarHBondContact O-N 2.95Å; D294-H297 VanDerWaalsContact O-N 3.11Å; V295-H297 VanDerWaalsContact C-N 3.31Å; V295-H297 PolarHBondContact O-N 3.35Å; H297-Y299 PolarHBondContact O-N 3.44Å; H297-N300 PolarHBondContact O-N 3.37Å; H297-N300 VanDerWaalsContact O-N 3.14Å; H297-S301 PolarHBondContact CE1-OG 3.36Å; H297-S301 WeakPolarHBondContact O-CB 3.41Å; H297-S301 PolarHBondContact O-N 3.15Å; H297-S301 PolarHBondContact O-OG 3.37Å; H297-S301 VanDerWaalsContact O-OG 3.12Å |
| 298 | R | 93.1 | Very high | 90.1 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.4 | -49.5 | 177.1 | -73.2 | 174.9 | 59.9 | 171.9 | 2.7 | 112.1 | D294 V295 N300 S301 G302 E303 E304 V305 | D294-R298 WeakPolarHBondContact O-CG 3.3Å; D294-R298 PolarHBondContact O-N 3.31Å; V295-R298 PolarHBondContact O-N 2.73Å; R298-N300 PolarHBondContact O-N 3.47Å; R298-S301 PolarHBondContact O-N 3.07Å; R298-G302 PolarHBondContact O-N 3.31Å; R298-E303 HydrophobicContact CB-CB 4.08Å; R298-E303 HydrophobicContact CG-CB 4.41Å; R298-E303 PolarHBondContact O-N 3.5Å; R298-E304 PolarHBondContact NH2-O 3.5Å; R298-V305 HydrophobicContact CB-CG2 3.81Å |
| 299 | Y | 95.2 | Very high | 90 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 175.2 | -87.4 | -57.9 | 0 | 0 | 0 | 112.5 | Q243 F244 L263 V264 D267 V295 Q296 H297 S301 G302 V305 F307 I319 | Q243-Y299 HydrophobicContact CG-CD1 4.44Å; F244-Y299 AromaticContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CG 4.19Å; F244-Y299 HydrophobicContact CZ-CD2 4.38Å; L263-Y299 HydrophobicContact CD2-CE1 4.34Å; L263-Y299 HydrophobicContact CG-CE1 4.4Å; V264-Y299 HydrophobicContact CG1-CE2 4.2Å; V264-Y299 HydrophobicContact CG2-CD1 3.86Å; V264-Y299 HydrophobicContact CG2-CD2 4.15Å; V264-Y299 HydrophobicContact CG2-CE1 4.04Å; V264-Y299 HydrophobicContact CG2-CE2 4.3Å; V264-Y299 HydrophobicContact CG2-CG 3.93Å; D267-Y299 WeakPolarHBondContact CB-OH 3.35Å; D267-Y299 VanDerWaalsContact OD2-CE1 3.32Å; D267-Y299 WeakPolarHBondContact OD2-CE1 3.37Å; D267-Y299 PolarHBondContact OD2-OH 3.48Å; V295-Y299 HydrophobicContact CG1-CD2 3.77Å; V295-Y299 HydrophobicContact CG1-CE2 3.7Å; V295-Y299 WeakPolarHBondContact O-CD2 3.4Å; V295-Y299 PolarHBondContact O-N 3.4Å; Q296-Y299 PolarHBondContact O-N 2.82Å; H297-Y299 PolarHBondContact O-N 3.44Å; Y299-S301 VanDerWaalsContact C-N 3.28Å; Y299-S301 PolarHBondContact O-N 2.79Å; Y299-G302 PolarHBondContact O-N 3.37Å; Y299-G302 VanDerWaalsContact O-N 3.08Å; Y299-V305 HydrophobicContact CD1-CG2 4.02Å; Y299-V305 HydrophobicContact CD2-CG2 3.91Å; Y299-V305 HydrophobicContact CE1-CB 4Å; Y299-V305 HydrophobicContact CE1-CG2 3.94Å; Y299-V305 HydrophobicContact CE2-CB 3.97Å; Y299-V305 HydrophobicContact CE2-CG1 3.9Å; Y299-V305 HydrophobicContact CE2-CG2 3.84Å; Y299-V305 HydrophobicContact CG-CG2 3.99Å; Y299-F307 HydrophobicContact CE2-CZ 4.18Å; Y299-F307 WeakPolarHBondContact OH-CE2 3.16Å; Y299-I319 HydrophobicContact CE2-CG2 4.31Å |
| 300 | N | 92.2 | Very high | 89.9 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.4 | -26.4 | -178.5 | -69.7 | -30.4 | 0 | 0 | 0 | 113.5 | L239 N241 Q242 Q243 F244 Q296 H297 R298 G302 | L239-N300 HydrophobicContact CD1-CB 4.29Å; N241-N300 CarbonylContact C-O 3.55Å; N241-N300 VanDerWaalsContact C-O 3.27Å; Q242-N300 VanDerWaalsContact CD-CG 3.48Å; Q242-N300 PolarHBondContact N-O 3.38Å; Q242-N300 VanDerWaalsContact NE2-CG 3.27Å; Q242-N300 PolarHBondContact NE2-ND2 3Å; Q242-N300 PolarHBondContact NE2-OD1 2.81Å; Q243-N300 PolarHBondContact N-OD1 3.03Å; F244-N300 PolarHBondContact N-OD1 2.82Å; Q296-N300 WeakPolarHBondContact O-CB 3.3Å; Q296-N300 PolarHBondContact O-N 2.88Å; Q296-N300 PolarHBondContact O-ND2 3.44Å; Q296-N300 VanDerWaalsContact O-ND2 3.09Å; H297-N300 PolarHBondContact O-N 3.37Å; H297-N300 VanDerWaalsContact O-N 3.14Å; R298-N300 PolarHBondContact O-N 3.47Å; N300-G302 VanDerWaalsContact C-N 3.34Å |
| 301 | S | 90.9 | Very high | 89.7 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -80.4 | -15.7 | 173 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | N241 H297 R298 Y299 | N241-S301 PolarHBondContact ND2-O 3.11Å; H297-S301 PolarHBondContact CE1-OG 3.36Å; H297-S301 WeakPolarHBondContact O-CB 3.41Å; H297-S301 PolarHBondContact O-N 3.15Å; H297-S301 PolarHBondContact O-OG 3.37Å; H297-S301 VanDerWaalsContact O-OG 3.12Å; R298-S301 PolarHBondContact O-N 3.07Å; Y299-S301 VanDerWaalsContact C-N 3.28Å; Y299-S301 PolarHBondContact O-N 2.79Å |
| 302 | G | 89.9 | Confident | 89.6 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 19.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R298 Y299 N300 | R298-G302 PolarHBondContact O-N 3.31Å; Y299-G302 PolarHBondContact O-N 3.37Å; Y299-G302 VanDerWaalsContact O-N 3.08Å; N300-G302 VanDerWaalsContact C-N 3.34Å |
| 303 | E | 91.9 | Very high | 89.8 | Confident | 98 Ų | 98 | 67.1 Ų | 67.1 | 46% | 0.458 | 35% | 0.347 | S | S | . | . | trans | -74.4 | 145.5 | 171.1 | -65.6 | 174.2 | -128 | 0 | 0 | 110 | R298 V305 | R298-E303 HydrophobicContact CB-CB 4.08Å; R298-E303 HydrophobicContact CG-CB 4.41Å; R298-E303 PolarHBondContact O-N 3.5Å; E303-V305 PolarHBondContact O-N 3.29Å | ||
| 304 | E | 90 | Very high | 90.1 | Very high | 173 Ų | 173 | 61 Ų | 61 | 81% | 0.808 | 32% | 0.321 | S | S | * | . | trans | -65.1 | 134.6 | 174.1 | -171.4 | 179.2 | -176.7 | 0 | 0 | 109.7 | R298 | R298-E304 PolarHBondContact NH2-O 3.5Š| ||
| 305 | V | 93.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 9% | 0.085 | 30% | 0.302 | C | S | . | . | trans | -113.5 | 119.4 | 177.8 | 177 | 0 | 0 | 0 | 0 | 108.9 | V295 R298 Y299 E303 F307 M310 | V295-V305 HydrophobicContact CG1-CG1 3.92Å; R298-V305 HydrophobicContact CB-CG2 3.81Å; Y299-V305 HydrophobicContact CD1-CG2 4.02Å; Y299-V305 HydrophobicContact CD2-CG2 3.91Å; Y299-V305 HydrophobicContact CE1-CB 4Å; Y299-V305 HydrophobicContact CE1-CG2 3.94Å; Y299-V305 HydrophobicContact CE2-CB 3.97Å; Y299-V305 HydrophobicContact CE2-CG1 3.9Å; Y299-V305 HydrophobicContact CE2-CG2 3.84Å; Y299-V305 HydrophobicContact CG-CG2 3.99Å; E303-V305 PolarHBondContact O-N 3.29Å; V305-F307 HydrophobicContact CG1-CD2 4.44Å; V305-F307 HydrophobicContact CG1-CE1 4.26Å; V305-F307 HydrophobicContact CG1-CE2 4.04Å; V305-F307 HydrophobicContact CG1-CZ 3.94Å; V305-M310 HydrophobicContact CG1-CE 4.13Å | ||
| 306 | S | 90.4 | Very high | 90.3 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | trans | -116.1 | 106.5 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | S308 Q309 | S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 2.98Å; S306-S308 PolarHBondContact OG-OG 2.96Å; S306-Q309 PolarHBondContact O-N 3.25Å | ||
| 307 | F | 89.9 | Confident | 90.5 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -70.9 | -21.9 | 179.1 | -68.3 | -74.2 | 0 | 0 | 0 | 113 | D267 T268 F271 V295 Y299 V305 Q309 M310 A316 I319 | D267-F307 HydrophobicContact CB-CE2 4.2Å; T268-F307 HydrophobicContact CG2-CE1 4.47Å; T268-F307 HydrophobicContact CG2-CE2 3.6Å; T268-F307 HydrophobicContact CG2-CZ 3.52Å; F271-F307 HydrophobicContact CB-CB 4.08Å; F271-F307 HydrophobicContact CB-CD2 4.28Å; F271-F307 HydrophobicContact CD1-CB 3.57Å; F271-F307 HydrophobicContact CD1-CG 4.16Å; F271-F307 HydrophobicContact CD2-CB 3.62Å; F271-F307 HydrophobicContact CE1-CB 3.79Å; F271-F307 HydrophobicContact CE2-CB 3.86Å; F271-F307 HydrophobicContact CG-CB 3.45Å; F271-F307 VanDerWaalsContact CG-CB 3.45Å; F271-F307 HydrophobicContact CG-CD2 4.49Å; F271-F307 HydrophobicContact CG-CG 4.24Å; F271-F307 HydrophobicContact CZ-CB 3.93Å; V295-F307 HydrophobicContact CG1-CE1 4.2Å; V295-F307 HydrophobicContact CG1-CZ 4.24Å; Y299-F307 HydrophobicContact CE2-CZ 4.18Å; Y299-F307 WeakPolarHBondContact OH-CE2 3.16Å; V305-F307 HydrophobicContact CG1-CD2 4.44Å; V305-F307 HydrophobicContact CG1-CE1 4.26Å; V305-F307 HydrophobicContact CG1-CE2 4.04Å; V305-F307 HydrophobicContact CG1-CZ 3.94Å; F307-Q309 PolarHBondContact O-N 3.32Å; F307-M310 HydrophobicContact CD1-SD 3.81Å; F307-M310 HydrophobicContact CE1-SD 4.34Å; F307-M310 WeakPolarHBondContact O-CB 3.24Å; F307-M310 PolarHBondContact O-N 2.93Å; F307-A316 HydrophobicContact CD1-CB 3.73Å; F307-A316 HydrophobicContact CD2-CB 4.37Å; F307-A316 HydrophobicContact CE1-CB 3.91Å; F307-A316 HydrophobicContact CG-CB 3.99Å; F307-A316 HydrophobicContact CZ-CB 4.31Å; F307-I319 HydrophobicContact CE1-CG1 4.44Å; F307-I319 HydrophobicContact CZ-CB 4.49Å; F307-I319 HydrophobicContact CZ-CG2 4.26Å |
| 308 | S | 84.9 | Confident | 90.7 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -67.4 | -19.8 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | S306 M310 | S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 2.98Å; S306-S308 PolarHBondContact OG-OG 2.96Å; S308-M310 VanDerWaalsContact C-N 3.3Å |
| 309 | Q | 82.1 | Confident | 91 | Very high | 153 Ų | 153 | 49.4 Ų | 49.4 | 72% | 0.715 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -86 | -4.2 | 174.3 | -61 | 176.6 | 6 | 0 | 0 | 112.6 | S306 F307 | S306-Q309 PolarHBondContact O-N 3.25Å; F307-Q309 PolarHBondContact O-N 3.32Å |
| 310 | M | 82.3 | Confident | 91.1 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 20% | 0.197 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -101.7 | 140.9 | -176.6 | -57.6 | 179 | -179.5 | 0 | 0 | 110 | V295 V305 F307 S308 D312 L315 | V295-M310 HydrophobicContact CG2-CE 3.59Å; V295-M310 HydrophobicContact CG2-SD 3.98Å; V305-M310 HydrophobicContact CG1-CE 4.13Å; F307-M310 HydrophobicContact CD1-SD 3.81Å; F307-M310 HydrophobicContact CE1-SD 4.34Å; F307-M310 WeakPolarHBondContact O-CB 3.24Å; F307-M310 PolarHBondContact O-N 2.93Å; S308-M310 VanDerWaalsContact C-N 3.3Å; M310-D312 PolarHBondContact O-N 3.16Å; M310-L315 HydrophobicContact CB-CD2 4.45Å; M310-L315 HydrophobicContact CG-CD2 4.46Å; M310-L315 HydrophobicContact SD-CD2 3.42Å; M310-L315 WeakPolarHBondContact SD-CD2 3.43Å; M310-L315 HydrophobicContact SD-CG 4.39Å |
| 311 | E | 79.9 | Confident | 91.4 | Very high | 205 Ų | 205 | 49.7 Ų | 49.7 | 96% | 0.958 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -74.2 | -25 | -176.4 | -64.8 | -178.4 | 172 | 0 | 0 | 113.5 | ||
| 312 | D | 88.2 | Confident | 91.5 | Very high | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | trans | -106.2 | 105.7 | -172.1 | -176.8 | 9.9 | 0 | 0 | 0 | 112.3 | M310 H314 L315 | M310-D312 PolarHBondContact O-N 3.16Å; D312-H314 PolarHBondContact O-N 3.03Å; D312-H314 WeakPolarHBondContact OD1-CA 3.46Å; D312-H314 VanDerWaalsContact OD1-CB 3.23Å; D312-H314 WeakPolarHBondContact OD1-CB 3.32Å; D312-H314 IonicContact OD1-CD2 3.39Å; D312-H314 PolarHBondContact OD1-CD2 2.82Å; D312-H314 IonicContact OD1-CG 3.62Å; D312-H314 PolarHBondContact OD1-N 2.85Å; D312-L315 HydrophobicContact CB-CB 4.4Å; D312-L315 WeakPolarHBondContact O-CB 3.32Å; D312-L315 PolarHBondContact O-N 3.21Å | ||
| 313 | V | 93.4 | Very high | 91.9 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -28.8 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | F271 L272 I279 I282 L315 A316 | F271-V313 HydrophobicContact CE1-CB 4.46Å; F271-V313 HydrophobicContact CE1-CG1 3.99Å; F271-V313 HydrophobicContact CZ-CG2 4.38Å; L272-V313 HydrophobicContact CD2-CG1 4.01Å; I279-V313 HydrophobicContact CG1-CB 4.35Å; I279-V313 HydrophobicContact CG1-CG1 3.98Å; I282-V313 HydrophobicContact CD1-CG1 4.37Å; V313-L315 PolarHBondContact O-N 3.19Å; V313-A316 PolarHBondContact O-N 3.06Å |
| 314 | H | 94 | Very high | 92.2 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.06 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -18.7 | 177.9 | -59 | -64.2 | 0 | 0 | 0 | 112.6 | I279 E280 R285 D312 A317 V318 | I279-H314 VanDerWaalsContact CG2-CE1 3.44Å; I279-H314 WeakPolarHBondContact CG2-CE1 3.38Å; E280-H314 PolarHBondContact O-CE1 2.95Å; R285-H314 WeakPolarHBondContact CD-NE2 3.45Å; R285-H314 PolarHBondContact NH1-NE2 3.09Å; D312-H314 PolarHBondContact O-N 3.03Å; D312-H314 WeakPolarHBondContact OD1-CA 3.46Å; D312-H314 VanDerWaalsContact OD1-CB 3.23Å; D312-H314 WeakPolarHBondContact OD1-CB 3.32Å; D312-H314 IonicContact OD1-CD2 3.39Å; D312-H314 PolarHBondContact OD1-CD2 2.82Å; D312-H314 IonicContact OD1-CG 3.62Å; D312-H314 PolarHBondContact OD1-N 2.85Å; H314-A317 PolarHBondContact O-N 3Å; H314-V318 WeakPolarHBondContact O-CG2 3.46Å; H314-V318 PolarHBondContact O-N 3.11Å |
| 315 | L | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -48.8 | 177.3 | -178.4 | 54.9 | 0 | 0 | 0 | 111.6 | A287 L291 V292 V295 M310 D312 V313 A317 V318 I319 | A287-L315 HydrophobicContact CB-CB 4.29Å; A287-L315 HydrophobicContact CB-CD1 4.14Å; L291-L315 HydrophobicContact CB-CD1 4.16Å; L291-L315 HydrophobicContact CB-CD2 3.96Å; L291-L315 HydrophobicContact CD1-CD2 4.39Å; V292-L315 HydrophobicContact CB-CD1 4.35Å; V292-L315 HydrophobicContact CG2-CD1 3.54Å; V295-L315 HydrophobicContact CG2-CD2 4.11Å; M310-L315 HydrophobicContact CB-CD2 4.45Å; M310-L315 HydrophobicContact CG-CD2 4.46Å; M310-L315 HydrophobicContact SD-CD2 3.42Å; M310-L315 WeakPolarHBondContact SD-CD2 3.43Å; M310-L315 HydrophobicContact SD-CG 4.39Å; D312-L315 HydrophobicContact CB-CB 4.4Å; D312-L315 WeakPolarHBondContact O-CB 3.32Å; D312-L315 PolarHBondContact O-N 3.21Å; V313-L315 PolarHBondContact O-N 3.19Å; L315-A317 VanDerWaalsContact C-N 3.28Å; L315-A317 PolarHBondContact O-N 3.22Å; L315-V318 PolarHBondContact O-N 3.19Å; L315-I319 HydrophobicContact CD1-CG1 4.16Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.46Å; L315-I319 PolarHBondContact O-N 3.37Å |
| 316 | A | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T268 F271 L272 F307 V313 V318 I319 L320 | T268-A316 HydrophobicContact CG2-CB 4.35Å; T268-A316 WeakPolarHBondContact CG2-O 3.39Å; F271-A316 HydrophobicContact CD1-CB 3.55Å; F271-A316 HydrophobicContact CE1-CB 3.98Å; L272-A316 HydrophobicContact CD1-CB 4.23Å; L272-A316 HydrophobicContact CD2-CB 4.03Å; L272-A316 HydrophobicContact CG-CB 3.98Å; F307-A316 HydrophobicContact CD1-CB 3.73Å; F307-A316 HydrophobicContact CD2-CB 4.37Å; F307-A316 HydrophobicContact CE1-CB 3.91Å; F307-A316 HydrophobicContact CG-CB 3.99Å; F307-A316 HydrophobicContact CZ-CB 4.31Å; V313-A316 PolarHBondContact O-N 3.06Å; A316-V318 PolarHBondContact O-N 3.01Å; A316-I319 PolarHBondContact O-N 2.92Å; A316-L320 PolarHBondContact O-N 2.87Å |
| 317 | A | 97.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L272 I282 F283 H314 L315 K321 | L272-A317 HydrophobicContact CD1-CB 4.11Å; L272-A317 HydrophobicContact CD2-CB 4.36Å; I282-A317 HydrophobicContact CD1-CB 3.62Å; I282-A317 HydrophobicContact CG1-CB 4.19Å; F283-A317 HydrophobicContact CD1-CB 3.55Å; F283-A317 HydrophobicContact CE1-CB 3.49Å; F283-A317 VanDerWaalsContact CE1-CB 3.49Å; F283-A317 HydrophobicContact CG-CB 4.21Å; F283-A317 HydrophobicContact CZ-CB 4.11Å; H314-A317 PolarHBondContact O-N 3Å; L315-A317 VanDerWaalsContact C-N 3.28Å; L315-A317 PolarHBondContact O-N 3.22Å; A317-K321 WeakPolarHBondContact O-CE 3.39Å; A317-K321 WeakPolarHBondContact O-CG 3.27Å; A317-K321 PolarHBondContact O-N 3.11Å |
| 318 | V | 95.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 13% | 0.127 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.2 | -39.2 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A287 V292 H314 L315 A316 K321 T322 | A287-V318 HydrophobicContact CB-CB 4.02Å; A287-V318 HydrophobicContact CB-CG1 4.46Å; A287-V318 HydrophobicContact CB-CG2 3.75Å; V292-V318 HydrophobicContact CG1-CG1 4.48Å; V292-V318 HydrophobicContact CG2-CB 4.41Å; V292-V318 HydrophobicContact CG2-CG1 3.69Å; H314-V318 WeakPolarHBondContact O-CG2 3.46Å; H314-V318 PolarHBondContact O-N 3.11Å; L315-V318 PolarHBondContact O-N 3.19Å; A316-V318 PolarHBondContact O-N 3.01Å; V318-K321 PolarHBondContact O-N 2.98Å; V318-T322 VanDerWaalsContact O-CB 3.27Å; V318-T322 WeakPolarHBondContact O-CB 3.39Å; V318-T322 PolarHBondContact O-N 2.95Å; V318-T322 PolarHBondContact O-OG1 3.46Å |
| 319 | I | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.9 | -71.2 | -69.3 | 0 | 0 | 0 | 111 | F244 V264 T268 V292 V295 Q296 Y299 F307 L315 A316 K321 T322 F323 | F244-I319 HydrophobicContact CZ-CG2 4.05Å; V264-I319 HydrophobicContact CG1-CG2 3.82Å; T268-I319 HydrophobicContact CG2-CB 4.18Å; T268-I319 HydrophobicContact CG2-CG2 3.8Å; V292-I319 HydrophobicContact CB-CD1 4.43Å; V292-I319 HydrophobicContact CG1-CD1 3.99Å; V295-I319 HydrophobicContact CB-CD1 3.86Å; V295-I319 HydrophobicContact CB-CG1 4.31Å; V295-I319 HydrophobicContact CG1-CD1 3.73Å; V295-I319 HydrophobicContact CG1-CG1 3.9Å; V295-I319 HydrophobicContact CG1-CG2 4.4Å; Q296-I319 HydrophobicContact CG-CD1 4.2Å; Y299-I319 HydrophobicContact CE2-CG2 4.31Å; F307-I319 HydrophobicContact CE1-CG1 4.44Å; F307-I319 HydrophobicContact CZ-CB 4.49Å; F307-I319 HydrophobicContact CZ-CG2 4.26Å; L315-I319 HydrophobicContact CD1-CG1 4.16Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.46Å; L315-I319 PolarHBondContact O-N 3.37Å; A316-I319 PolarHBondContact O-N 2.92Å; I319-K321 PolarHBondContact O-N 3.47Å; I319-T322 PolarHBondContact O-N 3.04Å; I319-T322 VanDerWaalsContact O-N 3.07Å; I319-F323 PolarHBondContact O-N 3.12Å |
| 320 | L | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.1 | -50.4 | 176.4 | 177.6 | 56.1 | 0 | 0 | 0 | 112 | M265 T268 V269 F283 A316 T322 F323 L324 L373 F376 | M265-L320 HydrophobicContact CB-CD1 4.31Å; M265-L320 HydrophobicContact CG-CD1 3.89Å; T268-L320 HydrophobicContact CG2-CB 4.38Å; V269-L320 HydrophobicContact CG2-CD2 3.95Å; F283-L320 HydrophobicContact CE1-CD2 4.02Å; F283-L320 HydrophobicContact CZ-CD2 4.3Å; A316-L320 PolarHBondContact O-N 2.87Å; L320-T322 VanDerWaalsContact C-N 3.28Å; L320-T322 PolarHBondContact O-N 3.14Å; L320-F323 PolarHBondContact O-N 3.42Å; L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 3.45Å; L320-L373 HydrophobicContact CD2-CD1 4.03Å; L320-F376 HydrophobicContact CD2-CD1 4.47Å; L320-F376 HydrophobicContact CD2-CE1 4.04Å |
| 321 | K | 97.9 | Very high | 93.8 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 13% | 0.126 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 177.3 | -68.5 | -176.9 | -61.8 | 170.8 | 0 | 112.5 | F283 A317 V318 I319 R325 F398 N401 | F283-K321 HydrophobicContact CB-CD 4.47Å; F283-K321 HydrophobicContact CD1-CD 4.19Å; F283-K321 HydrophobicContact CD1-CG 4.22Å; F283-K321 PolarHBondContact O-NZ 2.67Å; A317-K321 WeakPolarHBondContact O-CE 3.39Å; A317-K321 WeakPolarHBondContact O-CG 3.27Å; A317-K321 PolarHBondContact O-N 3.11Å; V318-K321 PolarHBondContact O-N 2.98Å; I319-K321 PolarHBondContact O-N 3.47Å; K321-R325 WeakPolarHBondContact O-CB 3.42Å; K321-R325 PolarHBondContact O-N 3.42Å; K321-R325 PolarHBondContact O-NH1 3.19Å; K321-F398 HydrophobicContact CD-CZ 4.49Å; K321-F398 HydrophobicContact CG-CE1 3.93Å; K321-F398 HydrophobicContact CG-CZ 3.91Å; K321-N401 PolarHBondContact O-OD1 2.68Å |
| 322 | T | 93.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.6 | -40.6 | -179.2 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | F244 V318 I319 L320 L324 R325 E326 | F244-T322 HydrophobicContact CE1-CG2 4.39Å; V318-T322 VanDerWaalsContact O-CB 3.27Å; V318-T322 WeakPolarHBondContact O-CB 3.39Å; V318-T322 PolarHBondContact O-N 2.95Å; V318-T322 PolarHBondContact O-OG1 3.46Å; I319-T322 PolarHBondContact O-N 3.04Å; I319-T322 VanDerWaalsContact O-N 3.07Å; L320-T322 VanDerWaalsContact C-N 3.28Å; L320-T322 PolarHBondContact O-N 3.14Å; T322-L324 PolarHBondContact O-N 3.43Å; T322-R325 PolarHBondContact O-N 2.95Å; T322-R325 PolarHBondContact OG1-NH2 2.92Å; T322-E326 HydrophobicContact CG2-CG 4.28Å; T322-E326 WeakPolarHBondContact CG2-OE1 3.23Å; T322-E326 WeakPolarHBondContact O-CB 3.47Å; T322-E326 WeakPolarHBondContact O-CG 3.41Å; T322-E326 PolarHBondContact O-N 3.06Å |
| 323 | F | 98.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.2 | -51.2 | 172.1 | 174.8 | -98.1 | 0 | 0 | 0 | 111.4 | Q243 F244 L248 L251 P262 V264 M265 I319 L320 R325 E326 L327 | Q243-F323 WeakPolarHBondContact O-CE2 3.47Å; F244-F323 HydrophobicContact CD1-CB 4.35Å; F244-F323 HydrophobicContact CD1-CD2 4.41Å; F244-F323 HydrophobicContact CE1-CB 3.79Å; F244-F323 HydrophobicContact CE1-CD2 4.36Å; F244-F323 HydrophobicContact CZ-CB 4.38Å; L248-F323 HydrophobicContact CD2-CE1 4.4Å; L248-F323 HydrophobicContact CD2-CZ 4.27Å; L251-F323 HydrophobicContact CD1-CE2 3.88Å; L251-F323 HydrophobicContact CD1-CZ 3.73Å; P262-F323 HydrophobicContact CB-CE1 4.01Å; P262-F323 HydrophobicContact CB-CE2 4.3Å; P262-F323 HydrophobicContact CB-CZ 3.51Å; P262-F323 HydrophobicContact CG-CE1 3.92Å; P262-F323 HydrophobicContact CG-CZ 3.63Å; V264-F323 HydrophobicContact CB-CD2 3.86Å; V264-F323 HydrophobicContact CB-CE2 4.28Å; V264-F323 HydrophobicContact CB-CG 4.12Å; V264-F323 HydrophobicContact CG1-CB 3.88Å; V264-F323 HydrophobicContact CG1-CD2 4.06Å; V264-F323 HydrophobicContact CG1-CG 4.01Å; V264-F323 HydrophobicContact CG2-CD2 4.05Å; V264-F323 HydrophobicContact CG2-CE2 4.34Å; M265-F323 HydrophobicContact CG-CD1 3.67Å; M265-F323 HydrophobicContact CG-CE1 3.65Å; M265-F323 HydrophobicContact SD-CD1 4.15Å; M265-F323 HydrophobicContact SD-CE1 3.75Å; I319-F323 PolarHBondContact O-N 3.12Å; L320-F323 PolarHBondContact O-N 3.42Å; F323-R325 PolarHBondContact O-N 3.19Å; F323-E326 PolarHBondContact O-N 2.8Å; F323-L327 HydrophobicContact CE1-CD2 4.23Å; F323-L327 HydrophobicContact CZ-CD2 4.05Å; F323-L327 PolarHBondContact O-N 3.02Å |
| 324 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 178.6 | -68 | 170.2 | 0 | 0 | 0 | 112.7 | M265 L320 T322 E326 L327 L331 L373 F398 N401 W404 | M265-L324 HydrophobicContact CE-CD2 4.45Å; M265-L324 HydrophobicContact SD-CD2 4.25Å; L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 3.45Å; T322-L324 PolarHBondContact O-N 3.43Å; L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 3.38Å; L324-L327 WeakPolarHBondContact O-CG 3.47Å; L324-L327 PolarHBondContact O-N 3.08Å; L324-L331 HydrophobicContact CD2-CD2 3.93Å; L324-L373 HydrophobicContact CD1-CD1 4.45Å; L324-L373 HydrophobicContact CD1-CD2 3.7Å; L324-L373 HydrophobicContact CD2-CD2 4.47Å; L324-F398 HydrophobicContact CD1-CD1 4.12Å; L324-F398 HydrophobicContact CD1-CE1 3.89Å; L324-N401 HydrophobicContact CB-CB 4.12Å; L324-W404 WeakPolarHBondContact O-CH2 3.35Å |
| 325 | R | 94.4 | Very high | 94.5 | Very high | 115 Ų | 115 | 29.1 Ų | 29.1 | 43% | 0.434 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.7 | -28.8 | -179.3 | -172.9 | 168.7 | 59.5 | -102.2 | -3.8 | 113.9 | K321 T322 F323 N401 | K321-R325 WeakPolarHBondContact O-CB 3.42Å; K321-R325 PolarHBondContact O-N 3.42Å; K321-R325 PolarHBondContact O-NH1 3.19Å; T322-R325 PolarHBondContact O-N 2.95Å; T322-R325 PolarHBondContact OG1-NH2 2.92Å; F323-R325 PolarHBondContact O-N 3.19Å; R325-N401 WeakPolarHBondContact CB-OD1 3.33Å; R325-N401 PolarHBondContact NH1-OD1 3.18Å |
| 326 | E | 91.9 | Very high | 94.3 | Very high | 69 Ų | 69 | 29.2 Ų | 29.2 | 32% | 0.322 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 0.5 | -178.2 | -70.3 | -177.7 | -164.6 | 0 | 0 | 112.8 | G245 T322 F323 L324 | G245-E326 VanDerWaalsContact CA-O 3.24Å; G245-E326 WeakPolarHBondContact CA-O 3.41Å; G245-E326 PolarHBondContact N-O 3.38Å; T322-E326 HydrophobicContact CG2-CG 4.28Å; T322-E326 WeakPolarHBondContact CG2-OE1 3.23Å; T322-E326 WeakPolarHBondContact O-CB 3.47Å; T322-E326 WeakPolarHBondContact O-CG 3.41Å; T322-E326 PolarHBondContact O-N 3.06Å; F323-E326 PolarHBondContact O-N 2.8Å; L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 3.38Å |
| 327 | L | 91.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -56.4 | 140.6 | 169.7 | -67.5 | 175 | 0 | 0 | 0 | 110 | L248 F323 L324 E329 L331 | L248-L327 HydrophobicContact CD2-CD1 4.39Å; L248-L327 HydrophobicContact CD2-CD2 3.86Å; L248-L327 HydrophobicContact CG-CD2 4.28Å; F323-L327 HydrophobicContact CE1-CD2 4.23Å; F323-L327 HydrophobicContact CZ-CD2 4.05Å; F323-L327 PolarHBondContact O-N 3.02Å; L324-L327 WeakPolarHBondContact O-CG 3.47Å; L324-L327 PolarHBondContact O-N 3.08Å; L327-E329 WeakPolarHBondContact CB-O 3.38Å; L327-E329 PolarHBondContact O-N 3.34Å; L327-E329 VanDerWaalsContact O-N 3.11Å; L327-L331 HydrophobicContact CD1-CB 4.42Å |
| 328 | P | 87.1 | Confident | 93.4 | Very high | 78 Ų | 78 | 35.6 Ų | 35.6 | 51% | 0.506 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -57.7 | -26.5 | 177.2 | -26.1 | 34.9 | 0 | 0 | 0 | 113.7 | ||
| 329 | E | 88.6 | Confident | 93.1 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -134.5 | 143.6 | 175.2 | -173.6 | 177.1 | -171.6 | 0 | 0 | 108.7 | L327 T333 Y334 | L327-E329 WeakPolarHBondContact CB-O 3.38Å; L327-E329 PolarHBondContact O-N 3.34Å; L327-E329 VanDerWaalsContact O-N 3.11Å; E329-T333 WeakPolarHBondContact OE1-CA 3.45Å; E329-T333 WeakPolarHBondContact OE1-CB 3.45Å; E329-Y334 HydrophobicContact CB-CE2 4.39Å; E329-Y334 HydrophobicContact CG-CD2 3.63Å; E329-Y334 HydrophobicContact CG-CE2 3.79Å; E329-Y334 HydrophobicContact CG-CG 4.42Å; E329-Y334 PolarHBondContact OE1-N 2.94Å |
| 330 | P | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -53.4 | 149.3 | 174.9 | 19.5 | -32.6 | 0 | 0 | 0 | 112.6 | L332 T333 Y334 L402 L403 W404 | P330-L332 PolarHBondContact O-N 2.94Å; P330-T333 WeakPolarHBondContact O-CA 3.26Å; P330-T333 PolarHBondContact O-N 2.89Å; P330-Y334 VanDerWaalsContact CD-CZ 3.42Å; P330-Y334 HydrophobicContact CG-CD1 3.95Å; P330-Y334 HydrophobicContact CG-CE1 3.79Å; P330-Y334 HydrophobicContact CG-CE2 4.5Å; P330-Y334 HydrophobicContact CG-CG 4.37Å; P330-L402 WeakPolarHBondContact CB-O 3.38Å; P330-L403 HydrophobicContact CB-CD1 4.13Å; P330-L403 HydrophobicContact CG-CD1 3.98Å; P330-W404 VanDerWaalsContact CA-CH2 3.41Å; P330-W404 HydrophobicContact CB-CD2 4Å; P330-W404 HydrophobicContact CB-CE3 3.86Å; P330-W404 HydrophobicContact CB-CH2 3.96Å; P330-W404 HydrophobicContact CB-CZ2 4.08Å; P330-W404 HydrophobicContact CB-CZ3 3.83Å; P330-W404 HydrophobicContact CG-CD2 4.42Å; P330-W404 HydrophobicContact CG-CZ2 4.45Å | ||
| 331 | L | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35.4 | 179.8 | -177.2 | 61.9 | 0 | 0 | 0 | 112.2 | L248 L324 L327 T333 N366 L370 L373 L402 | L248-L331 HydrophobicContact CD1-CD1 3.69Å; L324-L331 HydrophobicContact CD2-CD2 3.93Å; L327-L331 HydrophobicContact CD1-CB 4.42Å; L331-T333 PolarHBondContact O-N 3.38Å; L331-N366 HydrophobicContact CD1-CB 4.35Å; L331-N366 PolarHBondContact O-ND2 2.92Å; L331-L370 HydrophobicContact CD2-CB 4.04Å; L331-L370 HydrophobicContact CD2-CD1 3.95Å; L331-L370 HydrophobicContact CG-CB 4.35Å; L331-L373 HydrophobicContact CD2-CD2 4.37Å; L331-L402 HydrophobicContact CB-CD2 4.38Å; L331-L402 HydrophobicContact CD2-CD2 3.85Å; L331-L402 PolarHBondContact N-O 3.09Å |
| 332 | L | 97.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 3.7 | 175.6 | -67.6 | 170.4 | 0 | 0 | 0 | 113.9 | P330 L336 I340 L359 L362 L370 L402 L403 F421 | P330-L332 PolarHBondContact O-N 2.94Å; L332-L336 WeakPolarHBondContact O-CB 3.48Å; L332-L336 WeakPolarHBondContact O-CD1 3.4Å; L332-L336 WeakPolarHBondContact O-CG 3.09Å; L332-I340 HydrophobicContact CB-CD1 3.94Å; L332-I340 HydrophobicContact CD1-CD1 3.9Å; L332-I340 HydrophobicContact CG-CD1 4.37Å; L332-L359 HydrophobicContact CD2-CD2 4.49Å; L332-L362 HydrophobicContact CD2-CD1 4.44Å; L332-L370 HydrophobicContact CD2-CD1 4.03Å; L332-L370 HydrophobicContact CD2-CD2 3.57Å; L332-L370 HydrophobicContact CD2-CG 4.44Å; L332-L402 WeakPolarHBondContact CB-O 3.31Å; L332-L402 HydrophobicContact CD1-CB 3.77Å; L332-L402 HydrophobicContact CG-CB 4.24Å; L332-L402 PolarHBondContact N-O 3.1Å; L332-L402 VanDerWaalsContact N-O 3.07Å; L332-L403 HydrophobicContact CB-CB 4.45Å; L332-L403 HydrophobicContact CB-CD1 4.24Å; L332-L403 HydrophobicContact CD1-CB 4.28Å; L332-F421 HydrophobicContact CD1-CD1 4.25Å; L332-F421 HydrophobicContact CD1-CE1 3.91Å; L332-F421 HydrophobicContact CD2-CE1 4.4Å |
| 333 | T | 93.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 156.5 | -179.3 | 74.6 | 0 | 0 | 0 | 0 | 114.3 | E329 P330 L331 Q335 L362 L403 | E329-T333 WeakPolarHBondContact OE1-CA 3.45Å; E329-T333 WeakPolarHBondContact OE1-CB 3.45Å; P330-T333 WeakPolarHBondContact O-CA 3.26Å; P330-T333 PolarHBondContact O-N 2.89Å; L331-T333 PolarHBondContact O-N 3.38Å; T333-Q335 PolarHBondContact O-N 3.12Å; T333-L362 HydrophobicContact CG2-CD2 3.78Å; T333-L403 WeakPolarHBondContact O-CD1 3.46Å |
| 334 | Y | 87.3 | Confident | 91.1 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.4 | 173.4 | -67 | -60.9 | 0 | 0 | 0 | 112.5 | E329 P330 L336 Y337 W404 Q406 | E329-Y334 HydrophobicContact CB-CE2 4.39Å; E329-Y334 HydrophobicContact CG-CD2 3.63Å; E329-Y334 HydrophobicContact CG-CE2 3.79Å; E329-Y334 HydrophobicContact CG-CG 4.42Å; E329-Y334 PolarHBondContact OE1-N 2.94Å; P330-Y334 VanDerWaalsContact CD-CZ 3.42Å; P330-Y334 HydrophobicContact CG-CD1 3.95Å; P330-Y334 HydrophobicContact CG-CE1 3.79Å; P330-Y334 HydrophobicContact CG-CE2 4.5Å; P330-Y334 HydrophobicContact CG-CG 4.37Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.27Å; Y334-Y337 VanDerWaalsContact O-CB 3.23Å; Y334-Y337 WeakPolarHBondContact O-CB 3.46Å; Y334-Y337 PolarHBondContact O-N 2.89Å; Y334-Y337 VanDerWaalsContact O-N 3.16Å; Y334-W404 WeakPolarHBondContact CE1-O 3.38Å; Y334-W404 PolarHBondContact OH-NE1 2.87Å; Y334-W404 VanDerWaalsContact OH-NE1 3.07Å; Y334-Q406 HydrophobicContact CD1-CG 4.21Å; Y334-Q406 HydrophobicContact CE1-CG 4.03Å |
| 335 | Q | 91.4 | Very high | 90.7 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -39.2 | 178.4 | -175.6 | 174.5 | 1.8 | 0 | 0 | 111.9 | T333 Y337 | T333-Q335 PolarHBondContact O-N 3.12Å; Q335-Y337 VanDerWaalsContact C-N 3.31Å; Q335-Y337 PolarHBondContact O-N 2.71Å |
| 336 | L | 90.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.8 | -179.9 | -57.2 | -174.4 | 0 | 0 | 0 | 113.8 | L332 Y334 N338 D339 I340 M358 M361 L362 | L332-L336 WeakPolarHBondContact O-CB 3.48Å; L332-L336 WeakPolarHBondContact O-CD1 3.4Å; L332-L336 WeakPolarHBondContact O-CG 3.09Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.27Å; L336-N338 PolarHBondContact O-N 2.92Å; L336-D339 PolarHBondContact O-N 2.92Å; L336-I340 HydrophobicContact CB-CD1 3.69Å; L336-I340 HydrophobicContact CB-CG1 4.28Å; L336-I340 WeakPolarHBondContact O-CB 3.4Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 3.38Å; L336-M358 HydrophobicContact CD1-CB 4.19Å; L336-M358 WeakPolarHBondContact CD1-O 3.46Å; L336-M358 HydrophobicContact CD2-CB 4.13Å; L336-M361 HydrophobicContact CD2-CB 4.18Å; L336-L362 HydrophobicContact CD1-CD1 4.46Å; L336-L362 HydrophobicContact CD1-CD2 3.54Å; L336-L362 HydrophobicContact CD1-CG 3.87Å; L336-L362 HydrophobicContact CG-CD2 4.33Å |
| 337 | Y | 89.9 | Confident | 90.5 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 10% | 0.102 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -52.2 | -169.7 | -177.8 | -89.2 | 0 | 0 | 0 | 112.5 | Y334 Q335 D339 I340 V341 L403 G405 M410 A414 | Y334-Y337 VanDerWaalsContact O-CB 3.23Å; Y334-Y337 WeakPolarHBondContact O-CB 3.46Å; Y334-Y337 PolarHBondContact O-N 2.89Å; Y334-Y337 VanDerWaalsContact O-N 3.16Å; Q335-Y337 VanDerWaalsContact C-N 3.31Å; Q335-Y337 PolarHBondContact O-N 2.71Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.32Å; Y337-I340 PolarHBondContact O-N 3.45Å; Y337-V341 HydrophobicContact CD1-CG2 4.11Å; Y337-V341 HydrophobicContact CE1-CG2 3.72Å; Y337-V341 HydrophobicContact CE2-CG2 4.3Å; Y337-V341 VanDerWaalsContact O-CG2 3.3Å; Y337-V341 WeakPolarHBondContact O-CG2 3.47Å; Y337-V341 PolarHBondContact O-N 2.98Å; Y337-L403 HydrophobicContact CD2-CD1 3.95Å; Y337-L403 HydrophobicContact CD2-CD2 3.8Å; Y337-L403 HydrophobicContact CD2-CG 3.83Å; Y337-L403 HydrophobicContact CE2-CD2 4.37Å; Y337-L403 HydrophobicContact CE2-CG 4.36Å; Y337-L403 HydrophobicContact CG-CD2 4.47Å; Y337-G405 VanDerWaalsContact CE2-CA 3.44Å; Y337-M410 PolarHBondContact OH-O 3.32Å; Y337-M410 VanDerWaalsContact OH-O 3.11Å; Y337-A414 WeakPolarHBondContact OH-CB 3.41Å |
| 338 | N | 85.9 | Confident | 90.5 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | -177.5 | -71.4 | -34.2 | 0 | 0 | 0 | 112.1 | L336 V341 N342 | L336-N338 PolarHBondContact O-N 2.92Å; N338-V341 PolarHBondContact O-N 3.36Å; N338-N342 WeakPolarHBondContact O-CB 3.33Å; N338-N342 PolarHBondContact O-N 2.83Å; N338-N342 PolarHBondContact O-ND2 2.81Å |
| 339 | D | 89.4 | Confident | 90.7 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 179.5 | -64 | -37 | 0 | 0 | 0 | 111.1 | L336 Y337 N342 F343 M358 | L336-D339 PolarHBondContact O-N 2.92Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.32Å; D339-N342 CarbonylContact O-C 3.53Å; D339-N342 PolarHBondContact O-N 2.92Å; D339-F343 PolarHBondContact O-N 3.19Å; D339-M358 HydrophobicContact CB-CE 3.75Å; D339-M358 HydrophobicContact CB-CG 4.29Å; D339-M358 HydrophobicContact CB-SD 3.93Å |
| 340 | I | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -43 | 176.9 | -70.3 | 166.2 | 0 | 0 | 0 | 111.3 | L332 L336 Y337 N342 F343 M358 L403 F421 | L332-I340 HydrophobicContact CB-CD1 3.94Å; L332-I340 HydrophobicContact CD1-CD1 3.9Å; L332-I340 HydrophobicContact CG-CD1 4.37Å; L336-I340 HydrophobicContact CB-CD1 3.69Å; L336-I340 HydrophobicContact CB-CG1 4.28Å; L336-I340 WeakPolarHBondContact O-CB 3.4Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 3.38Å; Y337-I340 PolarHBondContact O-N 3.45Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 2.93Å; I340-F343 WeakPolarHBondContact O-CB 3.41Å; I340-F343 PolarHBondContact O-N 2.98Å; I340-M358 HydrophobicContact CG1-SD 4.23Å; I340-L403 HydrophobicContact CB-CD2 3.8Å; I340-L403 HydrophobicContact CD1-CD2 3.79Å; I340-L403 HydrophobicContact CG1-CD2 4.4Å; I340-L403 HydrophobicContact CG2-CD2 3.58Å; I340-F421 HydrophobicContact CB-CG 4.45Å; I340-F421 HydrophobicContact CD1-CD1 4.37Å; I340-F421 HydrophobicContact CD1-CE1 4.05Å; I340-F421 HydrophobicContact CD1-CZ 4.26Å; I340-F421 HydrophobicContact CG1-CD1 4.16Å; I340-F421 HydrophobicContact CG1-CD2 4.11Å; I340-F421 HydrophobicContact CG1-CE1 4.05Å; I340-F421 HydrophobicContact CG1-CE2 3.97Å; I340-F421 HydrophobicContact CG1-CG 4.2Å; I340-F421 HydrophobicContact CG1-CZ 3.95Å; I340-F421 HydrophobicContact CG2-CB 3.8Å; I340-F421 HydrophobicContact CG2-CD1 3.97Å; I340-F421 HydrophobicContact CG2-CD2 4.28Å; I340-F421 HydrophobicContact CG2-CG 3.75Å |
| 341 | V | 86.8 | Confident | 90.8 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 178.2 | 172 | 0 | 0 | 0 | 0 | 111.5 | Y337 N338 F343 H344 A414 P417 | Y337-V341 HydrophobicContact CD1-CG2 4.11Å; Y337-V341 HydrophobicContact CE1-CG2 3.72Å; Y337-V341 HydrophobicContact CE2-CG2 4.3Å; Y337-V341 VanDerWaalsContact O-CG2 3.3Å; Y337-V341 WeakPolarHBondContact O-CG2 3.47Å; Y337-V341 PolarHBondContact O-N 2.98Å; N338-V341 PolarHBondContact O-N 3.36Å; V341-F343 VanDerWaalsContact C-N 3.32Å; V341-H344 PolarHBondContact O-CE1 2.98Å; V341-H344 PolarHBondContact O-ND1 3.29Å; V341-A414 HydrophobicContact CG1-CB 4.44Å; V341-A414 HydrophobicContact CG2-CB 3.63Å; V341-P417 WeakPolarHBondContact O-CB 3.45Å |
| 342 | N | 87.9 | Confident | 90.7 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -87.5 | 1.6 | 178.6 | -66.4 | -51.4 | 0 | 0 | 0 | 113.8 | N338 D339 I340 H344 N345 | N338-N342 WeakPolarHBondContact O-CB 3.33Å; N338-N342 PolarHBondContact O-N 2.83Å; N338-N342 PolarHBondContact O-ND2 2.81Å; D339-N342 CarbonylContact O-C 3.53Å; D339-N342 PolarHBondContact O-N 2.92Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 2.93Å; N342-H344 PolarHBondContact O-N 3.1Å; N342-N345 WeakPolarHBondContact O-CB 3.3Å; N342-N345 PolarHBondContact O-N 3.29Å |
| 343 | F | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -57.8 | -27.2 | -176.5 | -177.4 | -107.5 | 0 | 0 | 0 | 114 | D339 I340 V341 N345 V346 K351 A354 I355 M358 F421 T424 | D339-F343 PolarHBondContact O-N 3.19Å; I340-F343 WeakPolarHBondContact O-CB 3.41Å; I340-F343 PolarHBondContact O-N 2.98Å; V341-F343 VanDerWaalsContact C-N 3.32Å; F343-N345 PolarHBondContact O-N 2.85Å; F343-N345 VanDerWaalsContact O-N 3.15Å; F343-V346 HydrophobicContact CD2-CB 4.42Å; F343-V346 HydrophobicContact CD2-CG2 4.09Å; F343-V346 HydrophobicContact CE2-CB 4.49Å; F343-V346 WeakPolarHBondContact O-CB 3.36Å; F343-V346 PolarHBondContact O-N 2.83Å; F343-K351 HydrophobicContact CE1-CD 4.14Å; F343-K351 HydrophobicContact CE1-CG 4.36Å; F343-K351 HydrophobicContact CE2-CB 4.4Å; F343-K351 HydrophobicContact CE2-CG 4.27Å; F343-K351 HydrophobicContact CZ-CB 3.87Å; F343-K351 HydrophobicContact CZ-CD 3.97Å; F343-K351 HydrophobicContact CZ-CG 3.73Å; F343-A354 HydrophobicContact CE2-CB 4.4Å; F343-I355 HydrophobicContact CE2-CD1 4.19Å; F343-I355 HydrophobicContact CE2-CG1 3.7Å; F343-I355 HydrophobicContact CZ-CD1 3.73Å; F343-I355 HydrophobicContact CZ-CG1 3.78Å; F343-M358 HydrophobicContact CD2-CE 4.06Å; F343-F421 HydrophobicContact CB-CD2 4.15Å; F343-F421 HydrophobicContact CD1-CB 4.24Å; F343-F421 AromaticContact CD1-CD2 3.86Å; F343-F421 HydrophobicContact CD1-CD2 3.86Å; F343-F421 AromaticContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CE2 4.29Å; F343-F421 HydrophobicContact CE1-CD2 4.22Å; F343-F421 HydrophobicContact CE2-CD2 4.31Å; F343-F421 HydrophobicContact CE2-CE2 4.47Å; F343-F421 AromaticContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CE2 4.49Å; F343-F421 HydrophobicContact CZ-CD2 4.43Å; F343-T424 HydrophobicContact CE1-CG2 3.91Å; F343-T424 HydrophobicContact CZ-CG2 3.99Å |
| 344 | H | 87.9 | Confident | 90.8 | Very high | 107 Ų | 107 | 63 Ų | 63 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -62.3 | -19 | 176 | 67.8 | -84.7 | 0 | 0 | 0 | 113.8 | V341 N342 | V341-H344 PolarHBondContact O-CE1 2.98Å; V341-H344 PolarHBondContact O-ND1 3.29Å; N342-H344 PolarHBondContact O-N 3.1Å |
| 345 | N | 89.2 | Confident | 91.2 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 58% | 0.583 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -85.5 | -6.4 | 175.8 | -62.3 | -43.4 | 0 | 0 | 0 | 113.2 | N342 F343 | N342-N345 WeakPolarHBondContact O-CB 3.3Å; N342-N345 PolarHBondContact O-N 3.29Å; F343-N345 PolarHBondContact O-N 2.85Å; F343-N345 VanDerWaalsContact O-N 3.15Å |
| 346 | V | 90.5 | Very high | 91.5 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -80.2 | 128.9 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | F343 A350 K351 A354 | F343-V346 HydrophobicContact CD2-CB 4.42Å; F343-V346 HydrophobicContact CD2-CG2 4.09Å; F343-V346 HydrophobicContact CE2-CB 4.49Å; F343-V346 WeakPolarHBondContact O-CB 3.36Å; F343-V346 PolarHBondContact O-N 2.83Å; V346-A350 HydrophobicContact CG1-CB 4.11Å; V346-K351 HydrophobicContact CB-CG 4.45Å; V346-K351 HydrophobicContact CG1-CG 4.12Å; V346-K351 VanDerWaalsContact O-CE 3.32Å; V346-K351 WeakPolarHBondContact O-CE 3.34Å; V346-A354 HydrophobicContact CG1-CB 3.93Å; V346-A354 HydrophobicContact CG2-CB 4.48Å |
| 347 | D | 91.1 | Very high | 91.7 | Very high | 122 Ų | 122 | 62.1 Ų | 62.1 | 65% | 0.652 | 35% | 0.353 | S | S | * | . | trans | -58.1 | 141 | 176.8 | -69.5 | -37.8 | 0 | 0 | 0 | 111.9 | S349 A350 K351 | D347-S349 PolarHBondContact O-N 2.85Å; D347-S349 VanDerWaalsContact O-N 3.09Å; D347-A350 PolarHBondContact O-N 2.77Å; D347-K351 PolarHBondContact O-N 2.76Å | ||
| 348 | S | 89.9 | Confident | 91.9 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 71% | 0.713 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -53.2 | -36.2 | -175.6 | -62.2 | 0 | 0 | 0 | 0 | 114 | A350 | S348-A350 VanDerWaalsContact C-N 3.3Å; S348-A350 PolarHBondContact O-N 3.4Å |
| 349 | S | 91.5 | Very high | 92.4 | Very high | 118 Ų | 118 | 56.8 Ų | 56.8 | 83% | 0.825 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -72.9 | -19.4 | 178.5 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | D347 | D347-S349 PolarHBondContact O-N 2.85Å; D347-S349 VanDerWaalsContact O-N 3.09Å |
| 350 | A | 93.8 | Very high | 92.7 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -103.9 | -4.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V346 D347 S348 V352 T353 A354 | V346-A350 HydrophobicContact CG1-CB 4.11Å; D347-A350 PolarHBondContact O-N 2.77Å; S348-A350 VanDerWaalsContact C-N 3.3Å; S348-A350 PolarHBondContact O-N 3.4Å; A350-V352 PolarHBondContact O-N 3.35Å; A350-T353 PolarHBondContact O-N 3.15Å; A350-A354 WeakPolarHBondContact O-CB 3.33Å; A350-A354 PolarHBondContact O-N 2.87Å |
| 351 | K | 93.6 | Very high | 92.8 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | -175.2 | -78.4 | -173.2 | 178 | -174.6 | 0 | 113.5 | F343 V346 D347 A354 I355 T424 | F343-K351 HydrophobicContact CE1-CD 4.14Å; F343-K351 HydrophobicContact CE1-CG 4.36Å; F343-K351 HydrophobicContact CE2-CB 4.4Å; F343-K351 HydrophobicContact CE2-CG 4.27Å; F343-K351 HydrophobicContact CZ-CB 3.87Å; F343-K351 HydrophobicContact CZ-CD 3.97Å; F343-K351 HydrophobicContact CZ-CG 3.73Å; V346-K351 HydrophobicContact CB-CG 4.45Å; V346-K351 HydrophobicContact CG1-CG 4.12Å; V346-K351 VanDerWaalsContact O-CE 3.32Å; V346-K351 WeakPolarHBondContact O-CE 3.34Å; D347-K351 PolarHBondContact O-N 2.76Å; K351-A354 PolarHBondContact O-N 3.12Å; K351-I355 VanDerWaalsContact O-CG1 3.25Å; K351-I355 WeakPolarHBondContact O-CG1 3.48Å; K351-I355 PolarHBondContact O-N 2.94Å; K351-T424 HydrophobicContact CD-CG2 4.19Å |
| 352 | V | 95.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 13% | 0.127 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -51.4 | -179.6 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | A350 A354 I355 Q356 Q428 E431 V432 | A350-V352 PolarHBondContact O-N 3.35Å; V352-A354 VanDerWaalsContact C-N 3.33Å; V352-A354 PolarHBondContact O-N 3.03Å; V352-I355 PolarHBondContact O-N 2.8Å; V352-Q356 WeakPolarHBondContact O-CG 3.41Å; V352-Q356 PolarHBondContact O-N 3.01Å; V352-Q428 HydrophobicContact CG2-CB 4.2Å; V352-Q428 HydrophobicContact CG2-CG 4.21Å; V352-E431 HydrophobicContact CG1-CB 3.78Å; V352-E431 HydrophobicContact CG2-CB 4.38Å; V352-V432 HydrophobicContact CG1-CG2 4.25Å |
| 353 | T | 95.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 47% | 0.466 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | A350 Q356 N357 | A350-T353 PolarHBondContact O-N 3.15Å; T353-Q356 PolarHBondContact O-N 2.91Å; T353-N357 VanDerWaalsContact O-CG 3.24Å; T353-N357 PolarHBondContact O-N 3.36Å; T353-N357 PolarHBondContact O-ND2 3.13Å |
| 354 | A | 95.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F343 V346 A350 K351 V352 N357 M358 | F343-A354 HydrophobicContact CE2-CB 4.4Å; V346-A354 HydrophobicContact CG1-CB 3.93Å; V346-A354 HydrophobicContact CG2-CB 4.48Å; A350-A354 WeakPolarHBondContact O-CB 3.33Å; A350-A354 PolarHBondContact O-N 2.87Å; K351-A354 PolarHBondContact O-N 3.12Å; V352-A354 VanDerWaalsContact C-N 3.33Å; V352-A354 PolarHBondContact O-N 3.03Å; A354-N357 PolarHBondContact O-N 3.29Å; A354-M358 HydrophobicContact CB-CE 4.45Å; A354-M358 VanDerWaalsContact O-CG 3.31Å; A354-M358 WeakPolarHBondContact O-CG 3.32Å; A354-M358 PolarHBondContact O-N 2.85Å; A354-M358 VanDerWaalsContact O-N 3.08Å |
| 355 | I | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 175.3 | -66.4 | 166.1 | 0 | 0 | 0 | 110.1 | F343 K351 V352 N357 M358 L359 F421 T424 L425 V432 | F343-I355 HydrophobicContact CE2-CD1 4.19Å; F343-I355 HydrophobicContact CE2-CG1 3.7Å; F343-I355 HydrophobicContact CZ-CD1 3.73Å; F343-I355 HydrophobicContact CZ-CG1 3.78Å; K351-I355 VanDerWaalsContact O-CG1 3.25Å; K351-I355 WeakPolarHBondContact O-CG1 3.48Å; K351-I355 PolarHBondContact O-N 2.94Å; V352-I355 PolarHBondContact O-N 2.8Å; I355-N357 VanDerWaalsContact C-N 3.3Å; I355-N357 PolarHBondContact O-N 3.46Å; I355-M358 WeakPolarHBondContact O-CB 3.47Å; I355-M358 PolarHBondContact O-N 2.88Å; I355-M358 VanDerWaalsContact O-N 3.08Å; I355-L359 HydrophobicContact CG2-CD1 4.02Å; I355-L359 HydrophobicContact CG2-CG 4.03Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 3.11Å; I355-F421 HydrophobicContact CG1-CE2 3.89Å; I355-F421 HydrophobicContact CG1-CZ 4.48Å; I355-F421 HydrophobicContact CG2-CZ 4.47Å; I355-T424 HydrophobicContact CD1-CG2 3.97Å; I355-L425 HydrophobicContact CG2-CD1 3.74Å; I355-V432 HydrophobicContact CB-CG2 4.13Å; I355-V432 HydrophobicContact CD1-CG2 4.27Å; I355-V432 HydrophobicContact CG2-CB 4.37Å; I355-V432 HydrophobicContact CG2-CG1 3.53Å; I355-V432 HydrophobicContact CG2-CG2 3.84Å |
| 356 | Q | 96.4 | Very high | 94.6 | Very high | 71 Ų | 71 | 56.8 Ų | 56.8 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.1 | -44.5 | 178.7 | -73.6 | 172.1 | -30 | 0 | 0 | 112.2 | V352 T353 M358 L359 A360 E431 | V352-Q356 WeakPolarHBondContact O-CG 3.41Å; V352-Q356 PolarHBondContact O-N 3.01Å; T353-Q356 PolarHBondContact O-N 2.91Å; Q356-M358 PolarHBondContact O-N 3.37Å; Q356-L359 PolarHBondContact O-N 2.92Å; Q356-A360 WeakPolarHBondContact O-CB 3.22Å; Q356-A360 PolarHBondContact O-N 3.2Å; Q356-E431 PolarHBondContact NE2-O 2.69Å |
| 357 | N | 95.3 | Very high | 94.9 | Very high | 104 Ų | 104 | 58.4 Ų | 58.4 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63 | -41 | 176.8 | -69.7 | -22.9 | 0 | 0 | 0 | 112.4 | T353 A354 I355 | T353-N357 VanDerWaalsContact O-CG 3.24Å; T353-N357 PolarHBondContact O-N 3.36Å; T353-N357 PolarHBondContact O-ND2 3.13Å; A354-N357 PolarHBondContact O-N 3.29Å; I355-N357 VanDerWaalsContact C-N 3.3Å; I355-N357 PolarHBondContact O-N 3.46Å |
| 358 | M | 94.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 175.2 | -67.9 | 176.8 | -158.1 | 0 | 0 | 111.1 | L336 D339 I340 F343 A354 I355 Q356 A360 M361 F421 | L336-M358 HydrophobicContact CD1-CB 4.19Å; L336-M358 WeakPolarHBondContact CD1-O 3.46Å; L336-M358 HydrophobicContact CD2-CB 4.13Å; D339-M358 HydrophobicContact CB-CE 3.75Å; D339-M358 HydrophobicContact CB-CG 4.29Å; D339-M358 HydrophobicContact CB-SD 3.93Å; I340-M358 HydrophobicContact CG1-SD 4.23Å; F343-M358 HydrophobicContact CD2-CE 4.06Å; A354-M358 HydrophobicContact CB-CE 4.45Å; A354-M358 VanDerWaalsContact O-CG 3.31Å; A354-M358 WeakPolarHBondContact O-CG 3.32Å; A354-M358 PolarHBondContact O-N 2.85Å; A354-M358 VanDerWaalsContact O-N 3.08Å; I355-M358 WeakPolarHBondContact O-CB 3.47Å; I355-M358 PolarHBondContact O-N 2.88Å; I355-M358 VanDerWaalsContact O-N 3.08Å; Q356-M358 PolarHBondContact O-N 3.37Å; M358-A360 VanDerWaalsContact C-N 3.31Å; M358-A360 PolarHBondContact O-N 3.3Å; M358-M361 WeakPolarHBondContact O-CB 3.42Å; M358-M361 PolarHBondContact O-N 2.85Å; M358-M361 VanDerWaalsContact O-N 3.17Å; M358-F421 HydrophobicContact SD-CE2 3.87Å; M358-F421 HydrophobicContact SD-CZ 4.43Å |
| 359 | L | 96.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -31 | -179.3 | -63.3 | -168.8 | 0 | 0 | 0 | 112.9 | L332 I355 Q356 M361 L362 Y367 L370 L425 V432 F433 | L332-L359 HydrophobicContact CD2-CD2 4.49Å; I355-L359 HydrophobicContact CG2-CD1 4.02Å; I355-L359 HydrophobicContact CG2-CG 4.03Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 3.11Å; Q356-L359 PolarHBondContact O-N 2.92Å; L359-M361 PolarHBondContact O-N 3.28Å; L359-L362 HydrophobicContact CD2-CD1 3.69Å; L359-L362 WeakPolarHBondContact O-CB 3.27Å; L359-L362 PolarHBondContact O-N 2.77Å; L359-L362 VanDerWaalsContact O-N 3.11Å; L359-Y367 HydrophobicContact CB-CD2 4.08Å; L359-Y367 HydrophobicContact CB-CE2 4Å; L359-Y367 HydrophobicContact CD1-CE2 4.36Å; L359-L370 HydrophobicContact CD2-CD2 3.5Å; L359-L425 HydrophobicContact CD1-CD1 4.26Å; L359-V432 HydrophobicContact CD1-CG1 3.42Å; L359-V432 VanDerWaalsContact CD1-CG1 3.42Å; L359-F433 HydrophobicContact CD1-CD1 4.3Å; L359-F433 HydrophobicContact CD1-CE1 3.54Å; L359-F433 HydrophobicContact CD1-CE2 4.43Å; L359-F433 HydrophobicContact CD1-CZ 3.62Å |
| 360 | A | 95.3 | Very high | 95.9 | Very high | 81 Ų | 81 | 44.3 Ų | 44.3 | 67% | 0.669 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q356 M358 | Q356-A360 WeakPolarHBondContact O-CB 3.22Å; Q356-A360 PolarHBondContact O-N 3.2Å; M358-A360 VanDerWaalsContact C-N 3.31Å; M358-A360 PolarHBondContact O-N 3.3Å |
| 361 | M | 93.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 45.5 Ų | 45.5 | 53% | 0.527 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.9 | 176 | -61.7 | -65.1 | -63.8 | 0 | 0 | 112.9 | L336 M358 L359 | L336-M361 HydrophobicContact CD2-CB 4.18Å; M358-M361 WeakPolarHBondContact O-CB 3.42Å; M358-M361 PolarHBondContact O-N 2.85Å; M358-M361 VanDerWaalsContact O-N 3.17Å; L359-M361 PolarHBondContact O-N 3.28Å |
| 362 | L | 96.4 | Very high | 96.3 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -71.9 | 144.5 | 179.9 | -71 | 175.7 | 0 | 0 | 0 | 111.2 | L332 T333 L336 L359 N366 L370 | L332-L362 HydrophobicContact CD2-CD1 4.44Å; T333-L362 HydrophobicContact CG2-CD2 3.78Å; L336-L362 HydrophobicContact CD1-CD1 4.46Å; L336-L362 HydrophobicContact CD1-CD2 3.54Å; L336-L362 HydrophobicContact CD1-CG 3.87Å; L336-L362 HydrophobicContact CG-CD2 4.33Å; L359-L362 HydrophobicContact CD2-CD1 3.69Å; L359-L362 WeakPolarHBondContact O-CB 3.27Å; L359-L362 PolarHBondContact O-N 2.77Å; L359-L362 VanDerWaalsContact O-N 3.11Å; L362-N366 HydrophobicContact CB-CB 4.27Å; L362-N366 HydrophobicContact CD2-CB 4.33Å; L362-L370 HydrophobicContact CD1-CD2 3.9Å |
| 363 | P | 96.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | trans | -55.5 | 153 | 164.3 | -22.6 | 32.6 | 0 | 0 | 0 | 111.8 | E365 N366 Y367 | P363-E365 VanDerWaalsContact C-N 3.3Å; P363-E365 PolarHBondContact O-N 3.09Å; P363-N366 HydrophobicContact CB-CB 4.4Å; P363-N366 WeakPolarHBondContact O-CB 3.18Å; P363-N366 PolarHBondContact O-N 3.46Å; P363-N366 VanDerWaalsContact O-N 3.11Å; P363-Y367 PolarHBondContact O-N 3.23Å | ||
| 364 | E | 95.3 | Very high | 96.6 | Very high | 110 Ų | 110 | 41.5 Ų | 41.5 | 51% | 0.514 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.3 | -43.6 | -176.1 | -172.4 | -167 | 159.3 | 0 | 0 | 112.2 | R252 Y367 T368 | R252-E364 IonicContact CZ-OE1 2.68Å; R252-E364 IonicContact CZ-OE2 3.27Å; R252-E364 IonicContact NH1-OE1 3.82Å; R252-E364 PolarHBondContact NH1-OE1 2.85Å; R252-E364 IonicContact NH1-OE2 3.41Å; R252-E364 PolarHBondContact NH1-OE2 3.04Å; R252-E364 IonicContact NH2-OE1 2.92Å; R252-E364 PolarHBondContact NH2-OE1 3.47Å; R252-E364 IonicContact NH2-OE2 3.68Å; E364-Y367 PolarHBondContact O-N 3.34Å; E364-T368 VanDerWaalsContact O-CB 3.29Å; E364-T368 WeakPolarHBondContact O-CB 3.29Å; E364-T368 PolarHBondContact O-N 3.26Å; E364-T368 PolarHBondContact O-OG1 3.13Å |
| 365 | E | 95.1 | Very high | 96.7 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 180 | -61.6 | 77.9 | -170.5 | 0 | 0 | 111.8 | L248 R252 P363 S369 | L248-E365 HydrophobicContact CB-CB 3.75Å; L248-E365 HydrophobicContact CB-CG 4.45Å; L248-E365 HydrophobicContact CD1-CB 4.36Å; R252-E365 HydrophobicContact CB-CG 4.37Å; R252-E365 WeakPolarHBondContact CD-OE1 3.2Å; R252-E365 IonicContact CZ-OE1 2.69Å; R252-E365 IonicContact NH1-OE1 3.88Å; R252-E365 PolarHBondContact NH1-OE1 3.24Å; P363-E365 VanDerWaalsContact C-N 3.3Å; P363-E365 PolarHBondContact O-N 3.09Å; E365-S369 WeakPolarHBondContact O-CB 3.49Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 3Å |
| 366 | N | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.1 | -49.1 | 177.7 | -69.1 | 71.4 | 0 | 0 | 0 | 110.7 | L331 L362 P363 S369 L370 | L331-N366 HydrophobicContact CD1-CB 4.35Å; L331-N366 PolarHBondContact O-ND2 2.92Å; L362-N366 HydrophobicContact CB-CB 4.27Å; L362-N366 HydrophobicContact CD2-CB 4.33Å; P363-N366 HydrophobicContact CB-CB 4.4Å; P363-N366 WeakPolarHBondContact O-CB 3.18Å; P363-N366 PolarHBondContact O-N 3.46Å; P363-N366 VanDerWaalsContact O-N 3.11Å; N366-S369 PolarHBondContact O-N 3.3Å; N366-L370 WeakPolarHBondContact O-CB 3.45Å; N366-L370 PolarHBondContact O-N 2.98Å |
| 367 | Y | 97.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 29% | 0.286 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.2 | -47.9 | 178.6 | 178 | -95.9 | 0 | 0 | 0 | 111.3 | L359 P363 E364 L370 K371 F433 | L359-Y367 HydrophobicContact CB-CD2 4.08Å; L359-Y367 HydrophobicContact CB-CE2 4Å; L359-Y367 HydrophobicContact CD1-CE2 4.36Å; P363-Y367 PolarHBondContact O-N 3.23Å; E364-Y367 PolarHBondContact O-N 3.34Å; Y367-L370 PolarHBondContact O-N 2.76Å; Y367-K371 HydrophobicContact CE1-CD 4.35Å; Y367-K371 WeakPolarHBondContact O-CB 3.35Å; Y367-K371 PolarHBondContact O-N 2.84Å; Y367-F433 HydrophobicContact CE2-CD1 4.21Å; Y367-F433 HydrophobicContact CE2-CE1 4.11Å |
| 368 | T | 96.9 | Very high | 97 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 28% | 0.282 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.3 | -43.7 | -178.1 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | A260 V261 E364 K371 F372 | A260-T368 HydrophobicContact CB-CG2 3.91Å; V261-T368 HydrophobicContact CG2-CG2 3.91Å; E364-T368 VanDerWaalsContact O-CB 3.29Å; E364-T368 WeakPolarHBondContact O-CB 3.29Å; E364-T368 PolarHBondContact O-N 3.26Å; E364-T368 PolarHBondContact O-OG1 3.13Å; T368-K371 PolarHBondContact O-N 3.35Å; T368-F372 WeakPolarHBondContact O-CB 3.43Å; T368-F372 PolarHBondContact O-N 3.37Å |
| 369 | S | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | A260 P262 M265 E365 N366 L373 | A260-S369 PolarHBondContact O-OG 2.93Å; P262-S369 WeakPolarHBondContact CD-OG 3.45Å; M265-S369 WeakPolarHBondContact CE-O 3.32Å; E365-S369 WeakPolarHBondContact O-CB 3.49Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 3Å; N366-S369 PolarHBondContact O-N 3.3Å; S369-L373 WeakPolarHBondContact O-CB 3.27Å; S369-L373 PolarHBondContact O-N 3.01Å |
| 370 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -48.5 | 175.4 | -178.8 | 71.9 | 0 | 0 | 0 | 111 | L331 L332 L359 L362 N366 Y367 F372 L373 I374 L402 L425 F433 | L331-L370 HydrophobicContact CD2-CB 4.04Å; L331-L370 HydrophobicContact CD2-CD1 3.95Å; L331-L370 HydrophobicContact CG-CB 4.35Å; L332-L370 HydrophobicContact CD2-CD1 4.03Å; L332-L370 HydrophobicContact CD2-CD2 3.57Å; L332-L370 HydrophobicContact CD2-CG 4.44Å; L359-L370 HydrophobicContact CD2-CD2 3.5Å; L362-L370 HydrophobicContact CD1-CD2 3.9Å; N366-L370 WeakPolarHBondContact O-CB 3.45Å; N366-L370 PolarHBondContact O-N 2.98Å; Y367-L370 PolarHBondContact O-N 2.76Å; L370-F372 PolarHBondContact O-N 2.87Å; L370-L373 PolarHBondContact O-N 3.1Å; L370-I374 HydrophobicContact CD1-CG1 4.11Å; L370-I374 HydrophobicContact CG-CG1 4.22Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 VanDerWaalsContact O-CG1 3.28Å; L370-I374 WeakPolarHBondContact O-CG1 3.23Å; L370-I374 PolarHBondContact O-N 2.8Å; L370-L402 HydrophobicContact CD1-CD2 4.23Å; L370-L425 HydrophobicContact CD1-CD2 4.34Å; L370-L425 HydrophobicContact CD2-CD2 4.36Å; L370-F433 HydrophobicContact CD2-CZ 4.38Å; L370-F433 HydrophobicContact CG-CZ 4.43Å |
| 371 | K | 97.6 | Very high | 97.4 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 28% | 0.278 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.9 | -50.5 | 177.6 | -179.9 | 173.5 | 175.2 | 169.5 | 0 | 110.8 | Y367 T368 L373 I374 E375 F433 | Y367-K371 HydrophobicContact CE1-CD 4.35Å; Y367-K371 WeakPolarHBondContact O-CB 3.35Å; Y367-K371 PolarHBondContact O-N 2.84Å; T368-K371 PolarHBondContact O-N 3.35Å; K371-L373 VanDerWaalsContact C-N 3.32Å; K371-L373 PolarHBondContact O-N 2.86Å; K371-I374 PolarHBondContact O-N 2.89Å; K371-E375 WeakPolarHBondContact CE-OE1 3.22Å; K371-E375 HydrophobicContact CG-CG 4.41Å; K371-E375 IonicContact NZ-OE1 3.94Å; K371-E375 WeakPolarHBondContact O-CB 3.45Å; K371-E375 WeakPolarHBondContact O-CG 3.48Å; K371-E375 PolarHBondContact O-N 3.03Å; K371-F433 HydrophobicContact CB-CD1 3.86Å; K371-F433 HydrophobicContact CB-CE1 3.79Å; K371-F433 HydrophobicContact CD-CB 4.43Å; K371-F433 HydrophobicContact CD-CD1 4Å; K371-F433 HydrophobicContact CG-CB 4.48Å; K371-F433 HydrophobicContact CG-CD1 3.74Å; K371-F433 HydrophobicContact CG-CE1 4.17Å; K371-F433 HydrophobicContact CG-CG 4.19Å |
| 372 | F | 98.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 36.3 Ų | 36.3 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.2 | -45.8 | 176.6 | 178.6 | -101.3 | 0 | 0 | 0 | 112.4 | V261 M265 V269 T368 L370 F376 | V261-F372 HydrophobicContact CG1-CB 4.47Å; V261-F372 HydrophobicContact CG1-CD1 3.57Å; V261-F372 HydrophobicContact CG1-CE1 3.85Å; V261-F372 HydrophobicContact CG1-CG 3.96Å; V261-F372 HydrophobicContact CG1-CZ 4.46Å; V261-F372 HydrophobicContact CG2-CB 3.95Å; V261-F372 HydrophobicContact CG2-CD2 4.45Å; V261-F372 HydrophobicContact CG2-CG 4.07Å; M265-F372 HydrophobicContact CB-CE1 4.38Å; M265-F372 HydrophobicContact CE-CD1 4.22Å; V269-F372 HydrophobicContact CB-CE1 3.71Å; V269-F372 HydrophobicContact CB-CZ 3.79Å; V269-F372 HydrophobicContact CG1-CE1 3.87Å; V269-F372 HydrophobicContact CG1-CE2 4.45Å; V269-F372 HydrophobicContact CG1-CZ 3.62Å; V269-F372 HydrophobicContact CG2-CD1 4.47Å; V269-F372 HydrophobicContact CG2-CE1 3.66Å; V269-F372 HydrophobicContact CG2-CZ 4.25Å; T368-F372 WeakPolarHBondContact O-CB 3.43Å; T368-F372 PolarHBondContact O-N 3.37Å; L370-F372 PolarHBondContact O-N 2.87Å; F372-F376 PolarHBondContact O-N 3.46Å |
| 373 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 177.5 | 177.9 | 67 | 0 | 0 | 0 | 112.1 | M265 L320 L324 L331 S369 L370 K371 F376 L377 F398 L402 | M265-L373 HydrophobicContact CE-CB 4.03Å; L320-L373 HydrophobicContact CD2-CD1 4.03Å; L324-L373 HydrophobicContact CD1-CD1 4.45Å; L324-L373 HydrophobicContact CD1-CD2 3.7Å; L324-L373 HydrophobicContact CD2-CD2 4.47Å; L331-L373 HydrophobicContact CD2-CD2 4.37Å; S369-L373 WeakPolarHBondContact O-CB 3.27Å; S369-L373 PolarHBondContact O-N 3.01Å; L370-L373 PolarHBondContact O-N 3.1Å; K371-L373 VanDerWaalsContact C-N 3.32Å; K371-L373 PolarHBondContact O-N 2.86Å; L373-F376 HydrophobicContact CD1-CD1 4.5Å; L373-F376 PolarHBondContact O-N 3.48Å; L373-L377 HydrophobicContact CD1-CD1 4.17Å; L373-L377 HydrophobicContact CD1-CG 4.14Å; L373-L377 HydrophobicContact CG-CD1 3.99Å; L373-L377 HydrophobicContact CG-CG 4.3Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.13Å; L373-L377 PolarHBondContact O-N 2.81Å; L373-F398 HydrophobicContact CD1-CE1 3.93Å; L373-F398 HydrophobicContact CD1-CZ 4.43Å; L373-F398 HydrophobicContact CD2-CD1 4.26Å; L373-F398 HydrophobicContact CD2-CE1 4.33Å; L373-L402 HydrophobicContact CD2-CD2 3.65Å |
| 374 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | -177 | -67 | -62.7 | 0 | 0 | 0 | 111 | L370 K371 F376 L377 V378 L425 L426 H429 F433 | L370-I374 HydrophobicContact CD1-CG1 4.11Å; L370-I374 HydrophobicContact CG-CG1 4.22Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 VanDerWaalsContact O-CG1 3.28Å; L370-I374 WeakPolarHBondContact O-CG1 3.23Å; L370-I374 PolarHBondContact O-N 2.8Å; K371-I374 PolarHBondContact O-N 2.89Å; I374-F376 VanDerWaalsContact C-N 3.29Å; I374-F376 PolarHBondContact O-N 3.31Å; I374-L377 PolarHBondContact O-N 3.35Å; I374-V378 HydrophobicContact CG2-CG2 4.42Å; I374-V378 VanDerWaalsContact O-CG2 3.27Å; I374-V378 WeakPolarHBondContact O-CG2 3.19Å; I374-V378 PolarHBondContact O-N 3.01Å; I374-L425 HydrophobicContact CD1-CD2 3.73Å; I374-L425 HydrophobicContact CD1-CG 4.03Å; I374-L425 HydrophobicContact CG1-CD2 3.9Å; I374-L425 HydrophobicContact CG1-CG 4.19Å; I374-L426 HydrophobicContact CD1-CD2 3.86Å; I374-L426 HydrophobicContact CD1-CG 4.4Å; I374-L426 HydrophobicContact CG2-CD2 4.22Å; I374-H429 HydrophobicContact CG2-CB 3.78Å; I374-F433 HydrophobicContact CB-CE2 3.99Å; I374-F433 HydrophobicContact CB-CZ 4.35Å; I374-F433 HydrophobicContact CG1-CE2 4.23Å; I374-F433 HydrophobicContact CG1-CZ 4.26Å; I374-F433 HydrophobicContact CG2-CD2 4.31Å; I374-F433 HydrophobicContact CG2-CE2 3.7Å |
| 375 | E | 97.4 | Very high | 97.8 | Very high | 86 Ų | 86 | 40.1 Ų | 40.1 | 40% | 0.402 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.3 | -42.9 | 174.8 | -74 | 174.5 | 171.2 | 0 | 0 | 111.6 | K371 Q379 | K371-E375 WeakPolarHBondContact CE-OE1 3.22Å; K371-E375 HydrophobicContact CG-CG 4.41Å; K371-E375 IonicContact NZ-OE1 3.94Å; K371-E375 WeakPolarHBondContact O-CB 3.45Å; K371-E375 WeakPolarHBondContact O-CG 3.48Å; K371-E375 PolarHBondContact O-N 3.03Å; E375-Q379 PolarHBondContact O-N 3.23Å |
| 376 | F | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 174.6 | 162.1 | -111.5 | 0 | 0 | 0 | 113.1 | V269 L272 M273 L277 F283 L320 F372 L373 I374 V378 Q379 V380 | V269-F376 HydrophobicContact CB-CG 4.43Å; V269-F376 HydrophobicContact CG1-CB 3.82Å; V269-F376 HydrophobicContact CG1-CD1 4.29Å; V269-F376 HydrophobicContact CG1-CD2 3.76Å; V269-F376 HydrophobicContact CG1-CE2 4.4Å; V269-F376 HydrophobicContact CG1-CG 3.68Å; V269-F376 HydrophobicContact CG2-CB 4.44Å; V269-F376 HydrophobicContact CG2-CD1 3.78Å; V269-F376 HydrophobicContact CG2-CE1 4.16Å; V269-F376 HydrophobicContact CG2-CG 4.02Å; L272-F376 HydrophobicContact CB-CE2 3.9Å; L272-F376 HydrophobicContact CB-CZ 3.63Å; L272-F376 HydrophobicContact CD1-CE1 4.49Å; L272-F376 HydrophobicContact CD1-CZ 4.01Å; L272-F376 HydrophobicContact CG-CZ 4.47Å; M273-F376 HydrophobicContact CE-CB 3.98Å; M273-F376 HydrophobicContact CE-CD2 3.54Å; M273-F376 HydrophobicContact CE-CG 4.24Å; M273-F376 HydrophobicContact CG-CD2 3.91Å; M273-F376 HydrophobicContact CG-CE2 4.18Å; M273-F376 HydrophobicContact SD-CD2 3.65Å; M273-F376 HydrophobicContact SD-CE2 4.11Å; L277-F376 HydrophobicContact CD2-CE2 4.42Å; F283-F376 HydrophobicContact CE1-CE1 4.45Å; F283-F376 AromaticContact CE2-CE1 3.89Å; F283-F376 HydrophobicContact CE2-CE1 3.89Å; F283-F376 AromaticContact CE2-CZ 3.93Å; F283-F376 HydrophobicContact CE2-CZ 3.93Å; F283-F376 AromaticContact CZ-CE1 3.42Å; F283-F376 HydrophobicContact CZ-CE1 3.42Å; F283-F376 VanDerWaalsContact CZ-CE1 3.42Å; F283-F376 AromaticContact CZ-CZ 3.63Å; F283-F376 HydrophobicContact CZ-CZ 3.63Å; L320-F376 HydrophobicContact CD2-CD1 4.47Å; L320-F376 HydrophobicContact CD2-CE1 4.04Å; F372-F376 PolarHBondContact O-N 3.46Å; L373-F376 HydrophobicContact CD1-CD1 4.5Å; L373-F376 PolarHBondContact O-N 3.48Å; I374-F376 VanDerWaalsContact C-N 3.29Å; I374-F376 PolarHBondContact O-N 3.31Å; F376-V378 PolarHBondContact O-N 3.43Å; F376-Q379 WeakPolarHBondContact O-CB 3.23Å; F376-Q379 PolarHBondContact O-N 2.84Å; F376-V380 HydrophobicContact CD2-CG2 4.2Å; F376-V380 HydrophobicContact CE1-CG2 4.11Å; F376-V380 HydrophobicContact CE2-CG2 3.66Å; F376-V380 HydrophobicContact CZ-CG2 3.6Å; F376-V380 PolarHBondContact O-N 2.8Å; F376-V380 VanDerWaalsContact O-N 3.08Å |
| 377 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -30.7 | -179.3 | -68.6 | -178.8 | 0 | 0 | 0 | 112.6 | F283 L373 I374 V380 S381 L394 F398 L426 | F283-L377 HydrophobicContact CE2-CD2 4.17Å; F283-L377 HydrophobicContact CZ-CD2 4.46Å; L373-L377 HydrophobicContact CD1-CD1 4.17Å; L373-L377 HydrophobicContact CD1-CG 4.14Å; L373-L377 HydrophobicContact CG-CD1 3.99Å; L373-L377 HydrophobicContact CG-CG 4.3Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.13Å; L373-L377 PolarHBondContact O-N 2.81Å; I374-L377 PolarHBondContact O-N 3.35Å; L377-V380 WeakPolarHBondContact O-CB 3.43Å; L377-V380 PolarHBondContact O-N 2.85Å; L377-S381 PolarHBondContact O-N 3.43Å; L377-L394 HydrophobicContact CB-CD1 4.42Å; L377-L394 HydrophobicContact CD2-CD2 4.4Å; L377-L394 WeakPolarHBondContact O-CD1 3.49Å; L377-F398 HydrophobicContact CD1-CB 4.42Å; L377-F398 HydrophobicContact CD1-CD1 4.04Å; L377-F398 HydrophobicContact CD1-CD2 3.74Å; L377-F398 HydrophobicContact CD1-CE1 4.23Å; L377-F398 HydrophobicContact CD1-CE2 3.96Å; L377-F398 HydrophobicContact CD1-CG 3.8Å; L377-F398 HydrophobicContact CD1-CZ 4.2Å; L377-F398 HydrophobicContact CD2-CD2 3.93Å; L377-F398 HydrophobicContact CD2-CE1 4.39Å; L377-F398 HydrophobicContact CD2-CE2 3.35Å; L377-F398 HydrophobicContact CD2-CZ 3.61Å; L377-F398 HydrophobicContact CG-CE2 4.3Å; L377-F398 HydrophobicContact CG-CZ 4.47Å; L377-L426 HydrophobicContact CB-CD2 3.64Å; L377-L426 HydrophobicContact CD1-CD2 4.29Å |
| 378 | V | 97.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 172.1 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | I374 F376 V380 S381 A382 L426 H429 | I374-V378 HydrophobicContact CG2-CG2 4.42Å; I374-V378 VanDerWaalsContact O-CG2 3.27Å; I374-V378 WeakPolarHBondContact O-CG2 3.19Å; I374-V378 PolarHBondContact O-N 3.01Å; F376-V378 PolarHBondContact O-N 3.43Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.11Å; V378-S381 PolarHBondContact O-N 3.15Å; V378-S381 VanDerWaalsContact O-N 3.15Å; V378-S381 PolarHBondContact O-OG 3.31Å; V378-A382 PolarHBondContact O-N 3.27Å; V378-L426 HydrophobicContact CG2-CD2 4.34Å; V378-H429 VanDerWaalsContact CG1-CE1 3.5Å; V378-H429 WeakPolarHBondContact CG1-CE1 3.49Å; V378-H429 HydrophobicContact CG2-CB 3.97Å; V378-H429 VanDerWaalsContact CG2-CG 3.45Å; V378-H429 WeakPolarHBondContact CG2-ND1 3.35Å |
| 379 | Q | 98.1 | Very high | 97.8 | Very high | 99 Ų | 99 | 41.5 Ų | 41.5 | 46% | 0.463 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 175.3 | -62.5 | -163.9 | 32.2 | 0 | 0 | 112.2 | M273 L277 E375 F376 S381 A382 | M273-Q379 HydrophobicContact CE-CB 4.15Å; M273-Q379 HydrophobicContact CE-CG 4Å; M273-Q379 VanDerWaalsContact CE-NE2 3.29Å; M273-Q379 HydrophobicContact SD-CB 4.23Å; M273-Q379 PolarHBondContact SD-OE1 3.17Å; M273-Q379 VanDerWaalsContact SD-OE1 3.33Å; L277-Q379 HydrophobicContact CD2-CB 4.45Å; E375-Q379 PolarHBondContact O-N 3.23Å; F376-Q379 WeakPolarHBondContact O-CB 3.23Å; F376-Q379 PolarHBondContact O-N 2.84Å; Q379-S381 VanDerWaalsContact C-N 3.35Å; Q379-A382 WeakPolarHBondContact O-CB 3.43Å; Q379-A382 PolarHBondContact O-N 3.28Å |
| 380 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 171.9 | 178 | 0 | 0 | 0 | 0 | 110.5 | L277 I282 F283 F376 L377 V378 A382 Q383 N387 M389 L394 | L277-V380 HydrophobicContact CD2-CG2 3.89Å; I282-V380 HydrophobicContact CG2-CG1 3.8Å; F283-V380 HydrophobicContact CD2-CG1 4.43Å; F283-V380 HydrophobicContact CE2-CG1 4.33Å; F283-V380 HydrophobicContact CE2-CG2 4.04Å; F376-V380 HydrophobicContact CD2-CG2 4.2Å; F376-V380 HydrophobicContact CE1-CG2 4.11Å; F376-V380 HydrophobicContact CE2-CG2 3.66Å; F376-V380 HydrophobicContact CZ-CG2 3.6Å; F376-V380 PolarHBondContact O-N 2.8Å; F376-V380 VanDerWaalsContact O-N 3.08Å; L377-V380 WeakPolarHBondContact O-CB 3.43Å; L377-V380 PolarHBondContact O-N 2.85Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.11Å; V380-A382 VanDerWaalsContact C-N 3.28Å; V380-A382 PolarHBondContact O-N 2.77Å; V380-Q383 PolarHBondContact O-N 3.33Å; V380-N387 PolarHBondContact O-ND2 3.49Å; V380-M389 HydrophobicContact CG1-CB 4.37Å; V380-L394 HydrophobicContact CB-CD1 4.33Å; V380-L394 HydrophobicContact CG1-CD1 4.22Å; V380-L394 HydrophobicContact CG1-CD2 4.17Å |
| 381 | S | 97.9 | Very high | 97.7 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -29.5 | -179.3 | 81.3 | 0 | 0 | 0 | 0 | 113.7 | L377 V378 Q379 Q383 S384 M389 N391 | L377-S381 PolarHBondContact O-N 3.43Å; V378-S381 PolarHBondContact O-N 3.15Å; V378-S381 VanDerWaalsContact O-N 3.15Å; V378-S381 PolarHBondContact O-OG 3.31Å; Q379-S381 VanDerWaalsContact C-N 3.35Å; S381-Q383 PolarHBondContact O-N 2.96Å; S381-S384 WeakPolarHBondContact O-CB 3.44Å; S381-S384 PolarHBondContact O-N 3.07Å; S381-S384 PolarHBondContact O-OG 2.92Å; S381-M389 WeakPolarHBondContact CA-O 3.2Å; S381-N391 WeakPolarHBondContact CB-OD1 3.45Å; S381-N391 PolarHBondContact OG-OD1 2.96Å; S381-N391 VanDerWaalsContact OG-OD1 3.06Å |
| 382 | A | 97.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 56% | 0.562 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.7 | -30.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V378 Q379 V380 | V378-A382 PolarHBondContact O-N 3.27Å; Q379-A382 WeakPolarHBondContact O-CB 3.43Å; Q379-A382 PolarHBondContact O-N 3.28Å; V380-A382 VanDerWaalsContact C-N 3.28Å; V380-A382 PolarHBondContact O-N 2.77Å |
| 383 | Q | 98.2 | Very high | 97.5 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 20.6 | 175.5 | -54.3 | -57.2 | 43.6 | 0 | 0 | 114.1 | L277 V380 S381 E385 I386 N387 | L277-Q383 HydrophobicContact CB-CG 4.36Å; L277-Q383 WeakPolarHBondContact O-CB 3.37Å; V380-Q383 PolarHBondContact O-N 3.33Å; S381-Q383 PolarHBondContact O-N 2.96Å; Q383-E385 PolarHBondContact O-N 3.06Å; Q383-E385 VanDerWaalsContact O-N 3.15Å; Q383-I386 PolarHBondContact O-N 2.88Å; Q383-N387 VanDerWaalsContact O-CG 3.27Å; Q383-N387 PolarHBondContact O-N 3.31Å; Q383-N387 PolarHBondContact O-ND2 3.02Å |
| 384 | S | 97.6 | Very high | 97.4 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -20.2 | -176.9 | 59.2 | 0 | 0 | 0 | 0 | 115.2 | S381 I386 N387 K388 | S381-S384 WeakPolarHBondContact O-CB 3.44Å; S381-S384 PolarHBondContact O-N 3.07Å; S381-S384 PolarHBondContact O-OG 2.92Å; S384-I386 PolarHBondContact O-N 3.5Å; S384-N387 WeakPolarHBondContact CA-OD1 3.41Å; S384-K388 WeakPolarHBondContact O-CA 3.26Å; S384-K388 PolarHBondContact O-N 3.47Å |
| 385 | E | 97.7 | Very high | 97.3 | Very high | 157 Ų | 157 | 45.9 Ų | 45.9 | 73% | 0.734 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.9 | -30.6 | 171.1 | -68.1 | -57.3 | 146 | 0 | 0 | 112.3 | Q383 K388 | Q383-E385 PolarHBondContact O-N 3.06Å; Q383-E385 VanDerWaalsContact O-N 3.15Å; E385-K388 PolarHBondContact O-NZ 3.19Å |
| 386 | I | 97.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 41% | 0.41 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -95.6 | -60 | 178.6 | -54.8 | 174.1 | 0 | 0 | 0 | 109.5 | E278 Q383 S384 K388 | E278-I386 HydrophobicContact CB-CG2 3.99Å; E278-I386 HydrophobicContact CG-CD1 4.1Å; E278-I386 HydrophobicContact CG-CG2 4.4Å; E278-I386 WeakPolarHBondContact O-CG2 3.48Å; Q383-I386 PolarHBondContact O-N 2.88Å; S384-I386 PolarHBondContact O-N 3.5Å; I386-K388 VanDerWaalsContact C-N 3.28Å; I386-K388 PolarHBondContact O-N 3.23Å |
| 387 | N | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77 | -10.3 | -172.5 | 70.7 | 38.1 | 0 | 0 | 0 | 114.2 | L277 I279 G281 I282 V380 Q383 S384 M389 | L277-N387 WeakPolarHBondContact O-CB 3.06Å; L277-N387 PolarHBondContact O-ND2 2.77Å; I279-N387 VanDerWaalsContact O-CB 3.3Å; I279-N387 WeakPolarHBondContact O-CB 3.37Å; G281-N387 PolarHBondContact N-O 3.22Å; I282-N387 HydrophobicContact CG2-CB 4.26Å; V380-N387 PolarHBondContact O-ND2 3.49Å; Q383-N387 VanDerWaalsContact O-CG 3.27Å; Q383-N387 PolarHBondContact O-N 3.31Å; Q383-N387 PolarHBondContact O-ND2 3.02Å; S384-N387 WeakPolarHBondContact CA-OD1 3.41Å; N387-M389 VanDerWaalsContact C-N 3.27Å; N387-M389 PolarHBondContact O-N 3.45Å; N387-M389 WeakPolarHBondContact OD1-CA 3.43Å; N387-M389 VanDerWaalsContact OD1-CB 3.3Å; N387-M389 WeakPolarHBondContact OD1-CB 2.98Å; N387-M389 PolarHBondContact OD1-N 2.97Å |
| 388 | K | 96.1 | Very high | 96.8 | Very high | 106 Ų | 106 | 47 Ų | 47 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | trans | 66.7 | 15.7 | 179.7 | -45.8 | -55.4 | 179.4 | -173.1 | 0 | 115.8 | E280 S384 E385 I386 N393 | E280-K388 HydrophobicContact CG-CG 3.98Å; S384-K388 WeakPolarHBondContact O-CA 3.26Å; S384-K388 PolarHBondContact O-N 3.47Å; E385-K388 PolarHBondContact O-NZ 3.19Å; I386-K388 VanDerWaalsContact C-N 3.28Å; I386-K388 PolarHBondContact O-N 3.23Å; K388-N393 PolarHBondContact O-ND2 3.15Å | ||
| 389 | M | 96.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | trans | -112.2 | 77.4 | -176 | -62.3 | -61 | -60.9 | 0 | 0 | 112.2 | I282 R284 V380 S381 N387 N393 L394 V397 | I282-M389 HydrophobicContact CG2-CG 4.13Å; I282-M389 WeakPolarHBondContact O-CE 3.44Å; I282-M389 VanDerWaalsContact O-CG 3.22Å; I282-M389 WeakPolarHBondContact O-CG 3.22Å; R284-M389 HydrophobicContact CB-CE 4.1Å; R284-M389 HydrophobicContact CB-SD 3.82Å; V380-M389 HydrophobicContact CG1-CB 4.37Å; S381-M389 WeakPolarHBondContact CA-O 3.2Å; N387-M389 VanDerWaalsContact C-N 3.27Å; N387-M389 PolarHBondContact O-N 3.45Å; N387-M389 WeakPolarHBondContact OD1-CA 3.43Å; N387-M389 VanDerWaalsContact OD1-CB 3.3Å; N387-M389 WeakPolarHBondContact OD1-CB 2.98Å; N387-M389 PolarHBondContact OD1-N 2.97Å; M389-N393 HydrophobicContact CE-CB 3.83Å; M389-N393 HydrophobicContact SD-CB 4.1Å; M389-L394 HydrophobicContact CB-CD2 4Å; M389-L394 HydrophobicContact CB-CG 4.18Å; M389-L394 HydrophobicContact CE-CD2 3.85Å; M389-L394 HydrophobicContact CE-CG 4.39Å; M389-V397 HydrophobicContact CE-CG2 4.24Å | ||
| 390 | N | 97.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 35% | 0.348 | 24% | 0.239 | S | C | . | . | trans | -71.8 | 172.4 | 170.3 | 65.6 | 34.3 | 0 | 0 | 0 | 112.3 | T392 N393 L394 | N390-T392 PolarHBondContact O-N 2.91Å; N390-T392 VanDerWaalsContact O-N 3.12Å; N390-T392 WeakPolarHBondContact OD1-CB 3.35Å; N390-T392 PolarHBondContact OD1-N 3.27Å; N390-T392 VanDerWaalsContact OD1-N 3.08Å; N390-N393 PolarHBondContact O-N 2.9Å; N390-N393 PolarHBondContact OD1-N 3.11Å; N390-L394 WeakPolarHBondContact O-CG 3.41Å; N390-L394 PolarHBondContact O-N 3.34Å | ||
| 391 | N | 97.8 | Very high | 96.5 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55 | -32.4 | -180 | -72.2 | -12.3 | 0 | 0 | 0 | 114.1 | S381 A395 R423 L426 D427 | S381-N391 WeakPolarHBondContact CB-OD1 3.45Å; S381-N391 PolarHBondContact OG-OD1 2.96Å; S381-N391 VanDerWaalsContact OG-OD1 3.06Å; N391-A395 WeakPolarHBondContact O-CB 3.31Å; N391-A395 PolarHBondContact O-N 3.01Å; N391-R423 HydrophobicContact CB-CG 4.46Å; N391-L426 HydrophobicContact CB-CB 4.05Å; N391-L426 HydrophobicContact CB-CD1 4.26Å; N391-D427 VanDerWaalsContact CB-OD1 3.29Å; N391-D427 WeakPolarHBondContact CB-OD1 3.26Å; N391-D427 PolarHBondContact ND2-OD1 3.08Å |
| 392 | T | 96.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 39% | 0.387 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.6 | -45.9 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 111 | N390 A395 V396 R423 | N390-T392 PolarHBondContact O-N 2.91Å; N390-T392 VanDerWaalsContact O-N 3.12Å; N390-T392 WeakPolarHBondContact OD1-CB 3.35Å; N390-T392 PolarHBondContact OD1-N 3.27Å; N390-T392 VanDerWaalsContact OD1-N 3.08Å; T392-A395 PolarHBondContact O-N 2.93Å; T392-V396 WeakPolarHBondContact O-CG2 3.5Å; T392-V396 PolarHBondContact O-N 3.41Å; T392-R423 WeakPolarHBondContact OG1-CD 3.17Å |
| 393 | N | 93.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 32% | 0.316 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 178.3 | -70.1 | -12.3 | 0 | 0 | 0 | 111.6 | K388 M389 N390 V396 V397 | K388-N393 PolarHBondContact O-ND2 3.15Å; M389-N393 HydrophobicContact CE-CB 3.83Å; M389-N393 HydrophobicContact SD-CB 4.1Å; N390-N393 PolarHBondContact O-N 2.9Å; N390-N393 PolarHBondContact OD1-N 3.11Å; N393-V396 PolarHBondContact O-N 3.07Å; N393-V397 PolarHBondContact O-N 3.29Å |
| 394 | L | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 175.9 | -69.9 | 173.9 | 0 | 0 | 0 | 111.5 | F283 L377 V380 M389 N390 V396 V397 F398 L426 | F283-L394 HydrophobicContact CD2-CD2 3.94Å; L377-L394 HydrophobicContact CB-CD1 4.42Å; L377-L394 HydrophobicContact CD2-CD2 4.4Å; L377-L394 WeakPolarHBondContact O-CD1 3.49Å; V380-L394 HydrophobicContact CB-CD1 4.33Å; V380-L394 HydrophobicContact CG1-CD1 4.22Å; V380-L394 HydrophobicContact CG1-CD2 4.17Å; M389-L394 HydrophobicContact CB-CD2 4Å; M389-L394 HydrophobicContact CB-CG 4.18Å; M389-L394 HydrophobicContact CE-CD2 3.85Å; M389-L394 HydrophobicContact CE-CG 4.39Å; N390-L394 WeakPolarHBondContact O-CG 3.41Å; N390-L394 PolarHBondContact O-N 3.34Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.87Å; L394-V397 WeakPolarHBondContact O-CG2 3.36Å; L394-V397 PolarHBondContact O-N 3.13Å; L394-V397 VanDerWaalsContact O-N 3.15Å; L394-F398 HydrophobicContact CD2-CE2 4.47Å; L394-F398 WeakPolarHBondContact O-CB 3.47Å; L394-F398 PolarHBondContact O-N 3.31Å; L394-L426 HydrophobicContact CB-CD1 4.04Å |
| 395 | A | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N391 T392 V397 G399 N419 T422 R423 | N391-A395 WeakPolarHBondContact O-CB 3.31Å; N391-A395 PolarHBondContact O-N 3.01Å; T392-A395 PolarHBondContact O-N 2.93Å; A395-V397 VanDerWaalsContact C-N 3.3Å; A395-V397 PolarHBondContact O-N 3.13Å; A395-G399 WeakPolarHBondContact O-CA 3.35Å; A395-G399 PolarHBondContact O-N 3.27Å; A395-N419 WeakPolarHBondContact CB-O 3.47Å; A395-N419 PolarHBondContact O-OD1 3.02Å; A395-T422 HydrophobicContact CB-CG2 4.03Å; A395-R423 HydrophobicContact CB-CB 3.62Å |
| 396 | V | 92.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 50% | 0.497 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | T392 N393 L394 | T392-V396 WeakPolarHBondContact O-CG2 3.5Å; T392-V396 PolarHBondContact O-N 3.41Å; N393-V396 PolarHBondContact O-N 3.07Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.87Å |
| 397 | V | 93.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -87.6 | -27.3 | -178.6 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | F283 M389 N393 L394 A395 N401 | F283-V397 HydrophobicContact CB-CG2 3.95Å; M389-V397 HydrophobicContact CE-CG2 4.24Å; N393-V397 PolarHBondContact O-N 3.29Å; L394-V397 WeakPolarHBondContact O-CG2 3.36Å; L394-V397 PolarHBondContact O-N 3.13Å; L394-V397 VanDerWaalsContact O-N 3.15Å; A395-V397 VanDerWaalsContact C-N 3.3Å; A395-V397 PolarHBondContact O-N 3.13Å; V397-N401 PolarHBondContact O-ND2 3.45Å |
| 398 | F | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -94.8 | -33.1 | -179.3 | -86.5 | -83.6 | 0 | 0 | 0 | 114.2 | F283 K321 L324 L373 L377 L394 N401 L402 T422 | F283-F398 HydrophobicContact CB-CE2 4.04Å; F283-F398 AromaticContact CD1-CE2 3.58Å; F283-F398 HydrophobicContact CD1-CE2 3.58Å; F283-F398 AromaticContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD2-CE2 4.03Å; F283-F398 HydrophobicContact CE1-CE2 4.07Å; F283-F398 AromaticContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE2-CE2 4.46Å; F283-F398 AromaticContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CZ 4.02Å; F283-F398 HydrophobicContact CZ-CE2 4.49Å; F283-F398 HydrophobicContact CZ-CZ 4.24Å; K321-F398 HydrophobicContact CD-CZ 4.49Å; K321-F398 HydrophobicContact CG-CE1 3.93Å; K321-F398 HydrophobicContact CG-CZ 3.91Å; L324-F398 HydrophobicContact CD1-CD1 4.12Å; L324-F398 HydrophobicContact CD1-CE1 3.89Å; L373-F398 HydrophobicContact CD1-CE1 3.93Å; L373-F398 HydrophobicContact CD1-CZ 4.43Å; L373-F398 HydrophobicContact CD2-CD1 4.26Å; L373-F398 HydrophobicContact CD2-CE1 4.33Å; L377-F398 HydrophobicContact CD1-CB 4.42Å; L377-F398 HydrophobicContact CD1-CD1 4.04Å; L377-F398 HydrophobicContact CD1-CD2 3.74Å; L377-F398 HydrophobicContact CD1-CE1 4.23Å; L377-F398 HydrophobicContact CD1-CE2 3.96Å; L377-F398 HydrophobicContact CD1-CG 3.8Å; L377-F398 HydrophobicContact CD1-CZ 4.2Å; L377-F398 HydrophobicContact CD2-CD2 3.93Å; L377-F398 HydrophobicContact CD2-CE1 4.39Å; L377-F398 HydrophobicContact CD2-CE2 3.35Å; L377-F398 HydrophobicContact CD2-CZ 3.61Å; L377-F398 HydrophobicContact CG-CE2 4.3Å; L377-F398 HydrophobicContact CG-CZ 4.47Å; L394-F398 HydrophobicContact CD2-CE2 4.47Å; L394-F398 WeakPolarHBondContact O-CB 3.47Å; L394-F398 PolarHBondContact O-N 3.31Å; F398-N401 CarbonylContact O-C 3.48Å; F398-N401 WeakPolarHBondContact O-CA 3.16Å; F398-N401 PolarHBondContact O-N 3.21Å; F398-L402 HydrophobicContact CB-CD1 4.33Å; F398-L402 WeakPolarHBondContact O-CG 3.48Å; F398-L402 PolarHBondContact O-N 3.45Å; F398-T422 HydrophobicContact CB-CG2 4.39Å |
| 399 | G | 96.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -42.9 | -56.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A395 N401 L402 L403 I418 T422 | A395-G399 WeakPolarHBondContact O-CA 3.35Å; A395-G399 PolarHBondContact O-N 3.27Å; G399-N401 PolarHBondContact O-N 2.98Å; G399-L402 PolarHBondContact O-N 3.08Å; G399-L403 PolarHBondContact O-N 2.93Å; G399-I418 WeakPolarHBondContact O-CG2 3.28Å; G399-T422 WeakPolarHBondContact CA-OG1 3.01Å |
| 400 | P | 94.4 | Very high | 88.5 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -70 | -9.5 | 179.4 | 27.4 | -35.5 | 0 | 0 | 0 | 115.1 | I415 | P400-I415 HydrophobicContact CB-CD1 3.96Å; P400-I415 HydrophobicContact CG-CD1 4.32Å |
| 401 | N | 95.8 | Very high | 87.3 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -98.3 | -9 | 172.3 | -53.8 | -82.2 | 0 | 0 | 0 | 112 | K321 L324 R325 V397 F398 G399 | K321-N401 PolarHBondContact O-OD1 2.68Å; L324-N401 HydrophobicContact CB-CB 4.12Å; R325-N401 WeakPolarHBondContact CB-OD1 3.33Å; R325-N401 PolarHBondContact NH1-OD1 3.18Å; V397-N401 PolarHBondContact O-ND2 3.45Å; F398-N401 CarbonylContact O-C 3.48Å; F398-N401 WeakPolarHBondContact O-CA 3.16Å; F398-N401 PolarHBondContact O-N 3.21Å; G399-N401 PolarHBondContact O-N 2.98Å |
| 402 | L | 97.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -99.5 | -33.3 | 177 | -64.9 | 178.8 | 0 | 0 | 0 | 112.4 | P330 L331 L332 L370 L373 F398 G399 T422 | P330-L402 WeakPolarHBondContact CB-O 3.38Å; L331-L402 HydrophobicContact CB-CD2 4.38Å; L331-L402 HydrophobicContact CD2-CD2 3.85Å; L331-L402 PolarHBondContact N-O 3.09Å; L332-L402 WeakPolarHBondContact CB-O 3.31Å; L332-L402 HydrophobicContact CD1-CB 3.77Å; L332-L402 HydrophobicContact CG-CB 4.24Å; L332-L402 PolarHBondContact N-O 3.1Å; L332-L402 VanDerWaalsContact N-O 3.07Å; L370-L402 HydrophobicContact CD1-CD2 4.23Å; L373-L402 HydrophobicContact CD2-CD2 3.65Å; F398-L402 HydrophobicContact CB-CD1 4.33Å; F398-L402 WeakPolarHBondContact O-CG 3.48Å; F398-L402 PolarHBondContact O-N 3.45Å; G399-L402 PolarHBondContact O-N 3.08Å; L402-T422 HydrophobicContact CD1-CG2 3.7Å |
| 403 | L | 95.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -147.4 | 136.7 | 175.8 | -169.9 | 68.5 | 0 | 0 | 0 | 110.7 | P330 L332 T333 Y337 I340 G399 I418 | P330-L403 HydrophobicContact CB-CD1 4.13Å; P330-L403 HydrophobicContact CG-CD1 3.98Å; L332-L403 HydrophobicContact CB-CB 4.45Å; L332-L403 HydrophobicContact CB-CD1 4.24Å; L332-L403 HydrophobicContact CD1-CB 4.28Å; T333-L403 WeakPolarHBondContact O-CD1 3.46Å; Y337-L403 HydrophobicContact CD2-CD1 3.95Å; Y337-L403 HydrophobicContact CD2-CD2 3.8Å; Y337-L403 HydrophobicContact CD2-CG 3.83Å; Y337-L403 HydrophobicContact CE2-CD2 4.37Å; Y337-L403 HydrophobicContact CE2-CG 4.36Å; Y337-L403 HydrophobicContact CG-CD2 4.47Å; I340-L403 HydrophobicContact CB-CD2 3.8Å; I340-L403 HydrophobicContact CD1-CD2 3.79Å; I340-L403 HydrophobicContact CG1-CD2 4.4Å; I340-L403 HydrophobicContact CG2-CD2 3.58Å; G399-L403 PolarHBondContact O-N 2.93Å; L403-I418 HydrophobicContact CB-CG2 4.27Å; L403-I418 HydrophobicContact CD2-CD1 4.4Å; L403-I418 HydrophobicContact CD2-CG1 4.14Å; L403-I418 HydrophobicContact CG-CD1 4.48Å | ||
| 404 | W | 88.6 | Confident | 84.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | trans | -140 | 156.2 | 168.6 | 56 | 86.8 | 0 | 0 | 0 | 109.2 | L324 P330 Y334 T411 | L324-W404 WeakPolarHBondContact O-CH2 3.35Å; P330-W404 VanDerWaalsContact CA-CH2 3.41Å; P330-W404 HydrophobicContact CB-CD2 4Å; P330-W404 HydrophobicContact CB-CE3 3.86Å; P330-W404 HydrophobicContact CB-CH2 3.96Å; P330-W404 HydrophobicContact CB-CZ2 4.08Å; P330-W404 HydrophobicContact CB-CZ3 3.83Å; P330-W404 HydrophobicContact CG-CD2 4.42Å; P330-W404 HydrophobicContact CG-CZ2 4.45Å; Y334-W404 WeakPolarHBondContact CE1-O 3.38Å; Y334-W404 PolarHBondContact OH-NE1 2.87Å; Y334-W404 VanDerWaalsContact OH-NE1 3.07Å; W404-T411 HydrophobicContact CB-CG2 3.93Å | ||
| 405 | G | 78.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | trans | -78 | 160.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y337 D407 T411 | Y337-G405 VanDerWaalsContact CE2-CA 3.44Å; G405-D407 PolarHBondContact O-N 2.96Å; G405-T411 PolarHBondContact N-OG1 3.07Å; G405-T411 PolarHBondContact O-OG1 3.28Å | ||
| 406 | Q | 74.5 | Confident | 83.8 | Confident | 154 Ų | 154 | 44.4 Ų | 44.4 | 72% | 0.72 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -60 | -17.7 | 178.2 | -59.3 | 179.6 | -6.8 | 0 | 0 | 113.3 | Y334 M410 | Y334-Q406 HydrophobicContact CD1-CG 4.21Å; Y334-Q406 HydrophobicContact CE1-CG 4.03Å; Q406-M410 HydrophobicContact CB-CE 3.66Å; Q406-M410 HydrophobicContact CG-CE 4.36Å |
| 407 | D | 73.8 | Confident | 83.9 | Confident | 52 Ų | 52 | 42 Ų | 42 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -129.5 | 164.2 | 166.7 | 72.2 | 54 | 0 | 0 | 0 | 111.9 | G405 A409 M410 T411 | G405-D407 PolarHBondContact O-N 2.96Å; D407-A409 VanDerWaalsContact C-N 3.27Å; D407-A409 PolarHBondContact O-N 3.2Å; D407-A409 VanDerWaalsContact OD1-CA 3.3Å; D407-A409 WeakPolarHBondContact OD1-CA 3.34Å; D407-A409 VanDerWaalsContact OD1-CB 3.3Å; D407-A409 WeakPolarHBondContact OD1-CB 3.4Å; D407-A409 PolarHBondContact OD1-N 2.88Å; D407-M410 PolarHBondContact O-N 3.36Å; D407-M410 PolarHBondContact OD1-N 2.69Å; D407-T411 PolarHBondContact O-N 3.03Å; D407-T411 VanDerWaalsContact O-N 3.15Å; D407-T411 PolarHBondContact O-OG1 3.35Å |
| 408 | A | 65.9 | Low | 83.9 | Confident | 79 Ų | 79 | 40.6 Ų | 40.6 | 65% | 0.653 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.5 | -24.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L412 | A408-L412 VanDerWaalsContact O-CB 3.27Å; A408-L412 WeakPolarHBondContact O-CB 3.47Å; A408-L412 PolarHBondContact O-N 2.89Å |
| 409 | A | 63.1 | Low | 83.8 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.3 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D407 L412 S413 | D407-A409 VanDerWaalsContact C-N 3.27Å; D407-A409 PolarHBondContact O-N 3.2Å; D407-A409 VanDerWaalsContact OD1-CA 3.3Å; D407-A409 WeakPolarHBondContact OD1-CA 3.34Å; D407-A409 VanDerWaalsContact OD1-CB 3.3Å; D407-A409 WeakPolarHBondContact OD1-CB 3.4Å; D407-A409 PolarHBondContact OD1-N 2.88Å; A409-L412 PolarHBondContact O-N 3.49Å; A409-S413 PolarHBondContact O-N 3.17Å; A409-S413 PolarHBondContact O-OG 2.71Å |
| 410 | M | 71.2 | Confident | 83.7 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 171.7 | -75.1 | -158.9 | -74.8 | 0 | 0 | 111.1 | Y337 Q406 D407 L412 S413 A414 | Y337-M410 PolarHBondContact OH-O 3.32Å; Y337-M410 VanDerWaalsContact OH-O 3.11Å; Q406-M410 HydrophobicContact CB-CE 3.66Å; Q406-M410 HydrophobicContact CG-CE 4.36Å; D407-M410 PolarHBondContact O-N 3.36Å; D407-M410 PolarHBondContact OD1-N 2.69Å; M410-L412 VanDerWaalsContact C-N 3.3Å; M410-L412 PolarHBondContact O-N 2.9Å; M410-S413 PolarHBondContact O-N 2.89Å; M410-S413 PolarHBondContact O-OG 3.48Å; M410-A414 WeakPolarHBondContact O-CB 3.35Å; M410-A414 PolarHBondContact O-N 2.96Å |
| 411 | T | 72.1 | Confident | 83.9 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 175.9 | -53 | 0 | 0 | 0 | 0 | 111.7 | W404 G405 D407 A414 I415 | W404-T411 HydrophobicContact CB-CG2 3.93Å; G405-T411 PolarHBondContact N-OG1 3.07Å; G405-T411 PolarHBondContact O-OG1 3.28Å; D407-T411 PolarHBondContact O-N 3.03Å; D407-T411 VanDerWaalsContact O-N 3.15Å; D407-T411 PolarHBondContact O-OG1 3.35Å; T411-A414 PolarHBondContact O-N 3.24Å; T411-I415 PolarHBondContact O-N 3.36Å |
| 412 | L | 73.3 | Confident | 84 | Confident | 116 Ų | 116 | 42.2 Ų | 42.2 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -69.8 | -37.9 | -177.3 | -174.7 | 63.6 | 0 | 0 | 0 | 112.6 | A408 A409 M410 A414 I415 | A408-L412 VanDerWaalsContact O-CB 3.27Å; A408-L412 WeakPolarHBondContact O-CB 3.47Å; A408-L412 PolarHBondContact O-N 2.89Å; A409-L412 PolarHBondContact O-N 3.49Å; M410-L412 VanDerWaalsContact C-N 3.3Å; M410-L412 PolarHBondContact O-N 2.9Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-I415 WeakPolarHBondContact O-CG2 3.33Å |
| 413 | S | 74.7 | Confident | 84 | Confident | 97 Ų | 97 | 47.3 Ų | 47.3 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.4 | -31.3 | 176 | 64.5 | 0 | 0 | 0 | 0 | 112 | A409 M410 | A409-S413 PolarHBondContact O-N 3.17Å; A409-S413 PolarHBondContact O-OG 2.71Å; M410-S413 PolarHBondContact O-N 2.89Å; M410-S413 PolarHBondContact O-OG 3.48Å |
| 414 | A | 83.8 | Confident | 84.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -90.3 | -3.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y337 V341 M410 T411 L412 G416 P417 I418 | Y337-A414 WeakPolarHBondContact OH-CB 3.41Å; V341-A414 HydrophobicContact CG1-CB 4.44Å; V341-A414 HydrophobicContact CG2-CB 3.63Å; M410-A414 WeakPolarHBondContact O-CB 3.35Å; M410-A414 PolarHBondContact O-N 2.96Å; T411-A414 PolarHBondContact O-N 3.24Å; L412-A414 VanDerWaalsContact C-N 3.31Å; A414-G416 VanDerWaalsContact C-N 3.29Å; A414-G416 PolarHBondContact O-N 3.49Å; A414-P417 WeakPolarHBondContact O-CD 3.31Å; A414-I418 HydrophobicContact CB-CD1 3.74Å; A414-I418 HydrophobicContact CB-CG1 4.2Å; A414-I418 WeakPolarHBondContact O-CB 3.44Å; A414-I418 WeakPolarHBondContact O-CG1 3.35Å; A414-I418 PolarHBondContact O-N 3.42Å |
| 415 | I | 86.6 | Confident | 84.5 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60 | -37.3 | -170.4 | -162.9 | 62.3 | 0 | 0 | 0 | 113.6 | P400 T411 L412 N419 | P400-I415 HydrophobicContact CB-CD1 3.96Å; P400-I415 HydrophobicContact CG-CD1 4.32Å; T411-I415 PolarHBondContact O-N 3.36Å; L412-I415 WeakPolarHBondContact O-CG2 3.33Å; I415-N419 WeakPolarHBondContact O-CB 3.44Å; I415-N419 PolarHBondContact O-N 2.85Å; I415-N419 PolarHBondContact O-ND2 3.02Å; I415-N419 PolarHBondContact O-OD1 3.12Å |
| 416 | G | 89.3 | Confident | 85.4 | Confident | 44 Ų | 44 | 46 Ų | 46 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -56.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A414 I418 N419 N420 | A414-G416 VanDerWaalsContact C-N 3.29Å; A414-G416 PolarHBondContact O-N 3.49Å; G416-I418 PolarHBondContact O-N 3.45Å; G416-N419 PolarHBondContact O-N 2.85Å; G416-N420 WeakPolarHBondContact O-CB 3.28Å; G416-N420 PolarHBondContact O-N 2.63Å |
| 417 | P | 93.9 | Very high | 86.5 | Confident | 31 Ų | 31 | 41.6 Ų | 41.6 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.1 | -45.8 | 172.3 | -30.2 | 34.4 | 0 | 0 | 0 | 114.6 | V341 A414 N419 N420 F421 | V341-P417 WeakPolarHBondContact O-CB 3.45Å; A414-P417 WeakPolarHBondContact O-CD 3.31Å; P417-N419 PolarHBondContact O-N 3.25Å; P417-N420 WeakPolarHBondContact O-CB 3.13Å; P417-N420 PolarHBondContact O-N 2.82Å; P417-N420 VanDerWaalsContact O-N 3.17Å; P417-F421 PolarHBondContact O-N 2.91Å |
| 418 | I | 94.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 179.7 | -67.9 | 168.6 | 0 | 0 | 0 | 110.6 | G399 L403 A414 G416 N420 F421 T422 | G399-I418 WeakPolarHBondContact O-CG2 3.28Å; L403-I418 HydrophobicContact CB-CG2 4.27Å; L403-I418 HydrophobicContact CD2-CD1 4.4Å; L403-I418 HydrophobicContact CD2-CG1 4.14Å; L403-I418 HydrophobicContact CG-CD1 4.48Å; A414-I418 HydrophobicContact CB-CD1 3.74Å; A414-I418 HydrophobicContact CB-CG1 4.2Å; A414-I418 WeakPolarHBondContact O-CB 3.44Å; A414-I418 WeakPolarHBondContact O-CG1 3.35Å; A414-I418 PolarHBondContact O-N 3.42Å; G416-I418 PolarHBondContact O-N 3.45Å; I418-N420 VanDerWaalsContact C-N 3.28Å; I418-N420 PolarHBondContact O-N 3.24Å; I418-F421 PolarHBondContact O-N 3.04Å; I418-T422 PolarHBondContact O-N 3.18Å; I418-T422 PolarHBondContact O-OG1 3.4Å |
| 419 | N | 94.9 | Very high | 88.9 | Confident | 27 Ų | 27 | 41 Ų | 41 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -35.3 | 178.4 | -67 | -7.9 | 0 | 0 | 0 | 111.6 | A395 I415 G416 P417 R423 | A395-N419 WeakPolarHBondContact CB-O 3.47Å; A395-N419 PolarHBondContact O-OD1 3.02Å; I415-N419 WeakPolarHBondContact O-CB 3.44Å; I415-N419 PolarHBondContact O-N 2.85Å; I415-N419 PolarHBondContact O-ND2 3.02Å; I415-N419 PolarHBondContact O-OD1 3.12Å; G416-N419 PolarHBondContact O-N 2.85Å; P417-N419 PolarHBondContact O-N 3.25Å; N419-R423 WeakPolarHBondContact O-CB 3.45Å; N419-R423 PolarHBondContact O-N 2.71Å |
| 420 | N | 95.6 | Very high | 90.3 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 175.9 | -172.6 | -79.8 | 0 | 0 | 0 | 112 | G416 P417 I418 R423 T424 | G416-N420 WeakPolarHBondContact O-CB 3.28Å; G416-N420 PolarHBondContact O-N 2.63Å; P417-N420 WeakPolarHBondContact O-CB 3.13Å; P417-N420 PolarHBondContact O-N 2.82Å; P417-N420 VanDerWaalsContact O-N 3.17Å; I418-N420 VanDerWaalsContact C-N 3.28Å; I418-N420 PolarHBondContact O-N 3.24Å; N420-R423 PolarHBondContact O-N 3.31Å; N420-T424 PolarHBondContact O-N 3.21Å; N420-T424 PolarHBondContact O-OG1 3.25Å |
| 421 | F | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -50.6 | 175 | 177.6 | -93.4 | 0 | 0 | 0 | 111 | L332 I340 F343 I355 M358 P417 I418 R423 T424 L425 | L332-F421 HydrophobicContact CD1-CD1 4.25Å; L332-F421 HydrophobicContact CD1-CE1 3.91Å; L332-F421 HydrophobicContact CD2-CE1 4.4Å; I340-F421 HydrophobicContact CB-CG 4.45Å; I340-F421 HydrophobicContact CD1-CD1 4.37Å; I340-F421 HydrophobicContact CD1-CE1 4.05Å; I340-F421 HydrophobicContact CD1-CZ 4.26Å; I340-F421 HydrophobicContact CG1-CD1 4.16Å; I340-F421 HydrophobicContact CG1-CD2 4.11Å; I340-F421 HydrophobicContact CG1-CE1 4.05Å; I340-F421 HydrophobicContact CG1-CE2 3.97Å; I340-F421 HydrophobicContact CG1-CG 4.2Å; I340-F421 HydrophobicContact CG1-CZ 3.95Å; I340-F421 HydrophobicContact CG2-CB 3.8Å; I340-F421 HydrophobicContact CG2-CD1 3.97Å; I340-F421 HydrophobicContact CG2-CD2 4.28Å; I340-F421 HydrophobicContact CG2-CG 3.75Å; F343-F421 HydrophobicContact CB-CD2 4.15Å; F343-F421 HydrophobicContact CD1-CB 4.24Å; F343-F421 AromaticContact CD1-CD2 3.86Å; F343-F421 HydrophobicContact CD1-CD2 3.86Å; F343-F421 AromaticContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CE2 4.29Å; F343-F421 HydrophobicContact CE1-CD2 4.22Å; F343-F421 HydrophobicContact CE2-CD2 4.31Å; F343-F421 HydrophobicContact CE2-CE2 4.47Å; F343-F421 AromaticContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CE2 4.49Å; F343-F421 HydrophobicContact CZ-CD2 4.43Å; I355-F421 HydrophobicContact CG1-CE2 3.89Å; I355-F421 HydrophobicContact CG1-CZ 4.48Å; I355-F421 HydrophobicContact CG2-CZ 4.47Å; M358-F421 HydrophobicContact SD-CE2 3.87Å; M358-F421 HydrophobicContact SD-CZ 4.43Å; P417-F421 PolarHBondContact O-N 2.91Å; I418-F421 PolarHBondContact O-N 3.04Å; F421-R423 VanDerWaalsContact C-N 3.31Å; F421-R423 PolarHBondContact O-N 2.52Å; F421-T424 PolarHBondContact O-N 2.79Å; F421-T424 VanDerWaalsContact O-N 3.11Å; F421-L425 HydrophobicContact CE1-CD2 4.34Å; F421-L425 WeakPolarHBondContact O-CB 3.34Å; F421-L425 PolarHBondContact O-N 3.14Å |
| 422 | T | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -42 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | A395 F398 G399 L402 I418 L425 L426 | A395-T422 HydrophobicContact CB-CG2 4.03Å; F398-T422 HydrophobicContact CB-CG2 4.39Å; G399-T422 WeakPolarHBondContact CA-OG1 3.01Å; L402-T422 HydrophobicContact CD1-CG2 3.7Å; I418-T422 PolarHBondContact O-N 3.18Å; I418-T422 PolarHBondContact O-OG1 3.4Å; T422-L425 PolarHBondContact O-N 3.47Å; T422-L426 HydrophobicContact CG2-CD1 4.45Å; T422-L426 WeakPolarHBondContact O-CG 3.14Å; T422-L426 PolarHBondContact O-N 3.06Å; T422-L426 VanDerWaalsContact O-N 3.11Å |
| 423 | R | 98.1 | Very high | 93.2 | Very high | 106 Ų | 106 | 43.6 Ų | 43.6 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 175.2 | -176.9 | -167.4 | 152.6 | -164.4 | -2.9 | 111.3 | N391 T392 A395 N419 N420 F421 L425 L426 D427 | N391-R423 HydrophobicContact CB-CG 4.46Å; T392-R423 WeakPolarHBondContact OG1-CD 3.17Å; A395-R423 HydrophobicContact CB-CB 3.62Å; N419-R423 WeakPolarHBondContact O-CB 3.45Å; N419-R423 PolarHBondContact O-N 2.71Å; N420-R423 PolarHBondContact O-N 3.31Å; F421-R423 VanDerWaalsContact C-N 3.31Å; F421-R423 PolarHBondContact O-N 2.52Å; R423-L425 VanDerWaalsContact C-N 3.27Å; R423-L425 PolarHBondContact O-N 3.1Å; R423-L426 PolarHBondContact O-N 3.14Å; R423-L426 VanDerWaalsContact O-N 3.16Å; R423-D427 IonicContact CZ-OD2 3.62Å; R423-D427 IonicContact NE-OD2 2.99Å; R423-D427 PolarHBondContact NE-OD2 3.42Å; R423-D427 IonicContact NH2-OD2 3.44Å; R423-D427 PolarHBondContact NH2-OD2 3.36Å; R423-D427 WeakPolarHBondContact O-CB 2.98Å; R423-D427 PolarHBondContact O-N 2.98Å |
| 424 | T | 97.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | -179.2 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | F343 K351 I355 N420 F421 L426 D427 Q428 | F343-T424 HydrophobicContact CE1-CG2 3.91Å; F343-T424 HydrophobicContact CZ-CG2 3.99Å; K351-T424 HydrophobicContact CD-CG2 4.19Å; I355-T424 HydrophobicContact CD1-CG2 3.97Å; N420-T424 PolarHBondContact O-N 3.21Å; N420-T424 PolarHBondContact O-OG1 3.25Å; F421-T424 PolarHBondContact O-N 2.79Å; F421-T424 VanDerWaalsContact O-N 3.11Å; T424-L426 VanDerWaalsContact C-N 3.35Å; T424-L426 PolarHBondContact O-N 3.15Å; T424-D427 PolarHBondContact O-N 3.32Å; T424-Q428 HydrophobicContact CG2-CG 4.23Å; T424-Q428 WeakPolarHBondContact O-CB 3.18Å; T424-Q428 WeakPolarHBondContact O-CG 3.45Å; T424-Q428 PolarHBondContact O-N 2.82Å |
| 425 | L | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.1 | -178.3 | 62.2 | 0 | 0 | 0 | 112.3 | I355 L359 L370 I374 F421 T422 R423 H429 V432 F433 | I355-L425 HydrophobicContact CG2-CD1 3.74Å; L359-L425 HydrophobicContact CD1-CD1 4.26Å; L370-L425 HydrophobicContact CD1-CD2 4.34Å; L370-L425 HydrophobicContact CD2-CD2 4.36Å; I374-L425 HydrophobicContact CD1-CD2 3.73Å; I374-L425 HydrophobicContact CD1-CG 4.03Å; I374-L425 HydrophobicContact CG1-CD2 3.9Å; I374-L425 HydrophobicContact CG1-CG 4.19Å; F421-L425 HydrophobicContact CE1-CD2 4.34Å; F421-L425 WeakPolarHBondContact O-CB 3.34Å; F421-L425 PolarHBondContact O-N 3.14Å; T422-L425 PolarHBondContact O-N 3.47Å; R423-L425 VanDerWaalsContact C-N 3.27Å; R423-L425 PolarHBondContact O-N 3.1Å; L425-H429 VanDerWaalsContact O-CA 3.3Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.45Å; L425-H429 PolarHBondContact O-N 3.43Å; L425-V432 HydrophobicContact CD1-CB 4.46Å; L425-V432 HydrophobicContact CD1-CG1 3.81Å; L425-F433 HydrophobicContact CD1-CE2 3.66Å; L425-F433 HydrophobicContact CD1-CZ 3.92Å; L425-F433 HydrophobicContact CG-CE2 4.31Å |
| 426 | L | 97.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.2 | -45.8 | 174.2 | -66.8 | 166.6 | 0 | 0 | 0 | 111.8 | I374 L377 V378 N391 L394 T422 R423 T424 Q428 H429 | I374-L426 HydrophobicContact CD1-CD2 3.86Å; I374-L426 HydrophobicContact CD1-CG 4.4Å; I374-L426 HydrophobicContact CG2-CD2 4.22Å; L377-L426 HydrophobicContact CB-CD2 3.64Å; L377-L426 HydrophobicContact CD1-CD2 4.29Å; V378-L426 HydrophobicContact CG2-CD2 4.34Å; N391-L426 HydrophobicContact CB-CB 4.05Å; N391-L426 HydrophobicContact CB-CD1 4.26Å; L394-L426 HydrophobicContact CB-CD1 4.04Å; T422-L426 HydrophobicContact CG2-CD1 4.45Å; T422-L426 WeakPolarHBondContact O-CG 3.14Å; T422-L426 PolarHBondContact O-N 3.06Å; T422-L426 VanDerWaalsContact O-N 3.11Å; R423-L426 PolarHBondContact O-N 3.14Å; R423-L426 VanDerWaalsContact O-N 3.16Å; T424-L426 VanDerWaalsContact C-N 3.35Å; T424-L426 PolarHBondContact O-N 3.15Å; L426-Q428 PolarHBondContact O-N 3.32Å; L426-H429 PolarHBondContact O-N 3.47Å; L426-H429 PolarHBondContact O-ND1 2.71Å; L426-H429 VanDerWaalsContact O-ND1 3.08Å |
| 427 | D | 96.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -30.1 | -179.1 | -72.5 | -14.3 | 0 | 0 | 0 | 112 | N391 R423 T424 | N391-D427 VanDerWaalsContact CB-OD1 3.29Å; N391-D427 WeakPolarHBondContact CB-OD1 3.26Å; N391-D427 PolarHBondContact ND2-OD1 3.08Å; R423-D427 IonicContact CZ-OD2 3.62Å; R423-D427 IonicContact NE-OD2 2.99Å; R423-D427 PolarHBondContact NE-OD2 3.42Å; R423-D427 IonicContact NH2-OD2 3.44Å; R423-D427 PolarHBondContact NH2-OD2 3.36Å; R423-D427 WeakPolarHBondContact O-CB 2.98Å; R423-D427 PolarHBondContact O-N 2.98Å; T424-D427 PolarHBondContact O-N 3.32Å |
| 428 | Q | 95.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 15 | -175.8 | -57.7 | -67.4 | -79.2 | 0 | 0 | 113.3 | V352 T424 L426 Y430 E431 V432 | V352-Q428 HydrophobicContact CG2-CB 4.2Å; V352-Q428 HydrophobicContact CG2-CG 4.21Å; T424-Q428 HydrophobicContact CG2-CG 4.23Å; T424-Q428 WeakPolarHBondContact O-CB 3.18Å; T424-Q428 WeakPolarHBondContact O-CG 3.45Å; T424-Q428 PolarHBondContact O-N 2.82Å; L426-Q428 PolarHBondContact O-N 3.32Å; Q428-Y430 PolarHBondContact O-N 3.27Å; Q428-Y430 VanDerWaalsContact O-N 3.12Å; Q428-E431 PolarHBondContact O-N 3.46Å; Q428-E431 VanDerWaalsContact O-N 3.08Å; Q428-V432 HydrophobicContact CB-CG2 4.1Å; Q428-V432 WeakPolarHBondContact O-CG2 3.09Å; Q428-V432 PolarHBondContact O-N 3.36Å |
| 429 | H | 94.5 | Very high | 92.1 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.6 | -39.3 | -171.2 | 74.3 | -76.3 | 0 | 0 | 0 | 113.4 | I374 V378 L425 L426 E431 V432 F433 | I374-H429 HydrophobicContact CG2-CB 3.78Å; V378-H429 VanDerWaalsContact CG1-CE1 3.5Å; V378-H429 WeakPolarHBondContact CG1-CE1 3.49Å; V378-H429 HydrophobicContact CG2-CB 3.97Å; V378-H429 VanDerWaalsContact CG2-CG 3.45Å; V378-H429 WeakPolarHBondContact CG2-ND1 3.35Å; L425-H429 VanDerWaalsContact O-CA 3.3Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.45Å; L425-H429 PolarHBondContact O-N 3.43Å; L426-H429 PolarHBondContact O-N 3.47Å; L426-H429 PolarHBondContact O-ND1 2.71Å; L426-H429 VanDerWaalsContact O-ND1 3.08Å; H429-E431 PolarHBondContact O-N 3.3Å; H429-V432 PolarHBondContact O-N 2.85Å; H429-F433 HydrophobicContact CB-CD2 4.29Å; H429-F433 WeakPolarHBondContact O-CD2 3.46Å; H429-F433 PolarHBondContact O-N 2.93Å |
| 430 | Y | 92.3 | Very high | 92 | Very high | 171 Ų | 171 | 56.5 Ų | 56.5 | 67% | 0.671 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | -178.9 | -177.2 | -96 | 0 | 0 | 0 | 111.1 | Q428 S434 | Q428-Y430 PolarHBondContact O-N 3.27Å; Q428-Y430 VanDerWaalsContact O-N 3.12Å; Y430-S434 VanDerWaalsContact O-CB 3.25Å; Y430-S434 WeakPolarHBondContact O-CB 3.34Å; Y430-S434 PolarHBondContact O-N 3.09Å; Y430-S434 PolarHBondContact O-OG 3.25Å |
| 431 | E | 93.6 | Very high | 91.7 | Very high | 104 Ų | 104 | 56.3 Ų | 56.3 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -74.2 | -34.8 | 179.9 | -60 | -178.7 | -144.9 | 0 | 0 | 111.8 | V352 Q356 Q428 H429 | V352-E431 HydrophobicContact CG1-CB 3.78Å; V352-E431 HydrophobicContact CG2-CB 4.38Å; Q356-E431 PolarHBondContact NE2-O 2.69Å; Q428-E431 PolarHBondContact O-N 3.46Å; Q428-E431 VanDerWaalsContact O-N 3.08Å; H429-E431 PolarHBondContact O-N 3.3Å |
| 432 | V | 93.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.5 | -43.2 | -177.9 | 169.7 | 0 | 0 | 0 | 0 | 112.6 | V352 I355 L359 L425 Q428 H429 | V352-V432 HydrophobicContact CG1-CG2 4.25Å; I355-V432 HydrophobicContact CB-CG2 4.13Å; I355-V432 HydrophobicContact CD1-CG2 4.27Å; I355-V432 HydrophobicContact CG2-CB 4.37Å; I355-V432 HydrophobicContact CG2-CG1 3.53Å; I355-V432 HydrophobicContact CG2-CG2 3.84Å; L359-V432 HydrophobicContact CD1-CG1 3.42Å; L359-V432 VanDerWaalsContact CD1-CG1 3.42Å; L425-V432 HydrophobicContact CD1-CB 4.46Å; L425-V432 HydrophobicContact CD1-CG1 3.81Å; Q428-V432 HydrophobicContact CB-CG2 4.1Å; Q428-V432 WeakPolarHBondContact O-CG2 3.09Å; Q428-V432 PolarHBondContact O-N 3.36Å; H429-V432 PolarHBondContact O-N 2.85Å |
| 433 | F | 90.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 64.9 Ų | 64.9 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -102.2 | 3.6 | -173.8 | -65.8 | -76.8 | 0 | 0 | 0 | 114.3 | L359 Y367 L370 K371 I374 L425 H429 | L359-F433 HydrophobicContact CD1-CD1 4.3Å; L359-F433 HydrophobicContact CD1-CE1 3.54Å; L359-F433 HydrophobicContact CD1-CE2 4.43Å; L359-F433 HydrophobicContact CD1-CZ 3.62Å; Y367-F433 HydrophobicContact CE2-CD1 4.21Å; Y367-F433 HydrophobicContact CE2-CE1 4.11Å; L370-F433 HydrophobicContact CD2-CZ 4.38Å; L370-F433 HydrophobicContact CG-CZ 4.43Å; K371-F433 HydrophobicContact CB-CD1 3.86Å; K371-F433 HydrophobicContact CB-CE1 3.79Å; K371-F433 HydrophobicContact CD-CB 4.43Å; K371-F433 HydrophobicContact CD-CD1 4Å; K371-F433 HydrophobicContact CG-CB 4.48Å; K371-F433 HydrophobicContact CG-CD1 3.74Å; K371-F433 HydrophobicContact CG-CE1 4.17Å; K371-F433 HydrophobicContact CG-CG 4.19Å; I374-F433 HydrophobicContact CB-CE2 3.99Å; I374-F433 HydrophobicContact CB-CZ 4.35Å; I374-F433 HydrophobicContact CG1-CE2 4.23Å; I374-F433 HydrophobicContact CG1-CZ 4.26Å; I374-F433 HydrophobicContact CG2-CD2 4.31Å; I374-F433 HydrophobicContact CG2-CE2 3.7Å; L425-F433 HydrophobicContact CD1-CE2 3.66Å; L425-F433 HydrophobicContact CD1-CZ 3.92Å; L425-F433 HydrophobicContact CG-CE2 4.31Å; H429-F433 HydrophobicContact CB-CD2 4.29Å; H429-F433 WeakPolarHBondContact O-CD2 3.46Å; H429-F433 PolarHBondContact O-N 2.93Å |
| 434 | S | 78.1 | Confident | 90.1 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | trans | -61.8 | 142.7 | 171.2 | -81.3 | 0 | 0 | 0 | 0 | 111 | Y430 | Y430-S434 VanDerWaalsContact O-CB 3.25Å; Y430-S434 WeakPolarHBondContact O-CB 3.34Å; Y430-S434 PolarHBondContact O-N 3.09Å; Y430-S434 PolarHBondContact O-OG 3.25Å | ||
| 435 | P | 54 | Low | 89.5 | Confident | 198 Ų | 198 | 65.6 Ų | 65.6 | 100% | 1.286 | 34% | 0.342 | S | S | * | . | trans | -68.4 | 0 | -177.4 | 28.8 | -35.6 | 0 | 0 | 0 | 114.5 |
Retrieved 435 of 435 residues in 2392.9 ms
(Link to these results)