| 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 | 35.9 | Very low | 31.1 | Very low | 244 Ų | 244 | 147.8 Ų | 147.8 | 100% | 1.202 | 84% | 0.843 | S | S | * | * | 0 | 120.8 | 0 | -80.3 | 174.4 | 168 | 0 | 0 | 108 | |||||
| 2 | A | 34.7 | Very low | 31.4 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | 41.2 | 110.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 3 | N | 25.9 | Very low | 31.4 | Very low | 146 Ų | 146 | 153.7 Ų | 153.7 | 78% | 0.781 | 85% | 0.848 | S | S | * | * | cis | 80.7 | 119.7 | 35.8 | -136.4 | 17.4 | 0 | 0 | 0 | 116.7 | ||||
| 4 | L | 29.6 | Very low | 31.2 | Very low | 152 Ų | 152 | 158.1 Ų | 158.1 | 80% | 0.796 | 86% | 0.855 | S | S | * | * | trans | 75.3 | 131.3 | 151.7 | -73.6 | 152.2 | 0 | 0 | 0 | 122.2 | ||||
| 5 | G | 28.2 | Very low | 31.2 | Very low | 71 Ų | 71 | 160.2 Ų | 160.2 | 73% | 0.732 | 85% | 0.853 | S | S | * | * | trans | 170.6 | 50.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 6 | T | 31.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 165.3 Ų | 165.3 | 81% | 0.81 | 86% | 0.857 | S | S | * | * | trans | -71.2 | 123.1 | 173.8 | -29.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | L | 31.6 | Very low | 30.9 | Very low | 165 Ų | 165 | 167.7 Ų | 167.7 | 86% | 0.864 | 86% | 0.859 | S | S | * | * | trans | -104.6 | 109.7 | 174.2 | -130.7 | 92.8 | 0 | 0 | 0 | 110.5 | ||||
| 8 | Q | 30 | Very low | 30.7 | Very low | 180 Ų | 180 | 164.3 Ų | 164.3 | 84% | 0.841 | 85% | 0.853 | S | S | * | * | trans | -82.6 | 131.3 | 168.9 | -81.5 | 175.1 | -33.5 | 0 | 0 | 110.3 | ||||
| 9 | L | 31 | Very low | 30.6 | Very low | 172 Ų | 172 | 162.8 Ų | 162.8 | 90% | 0.901 | 86% | 0.857 | S | S | * | * | trans | -94.1 | 118.6 | 170.5 | -78.9 | 158.8 | 0 | 0 | 0 | 109.7 | ||||
| 10 | L | 31.7 | Very low | 30.5 | Very low | 156 Ų | 156 | 163.1 Ų | 163.1 | 82% | 0.817 | 86% | 0.858 | S | S | * | * | trans | -106.1 | 148.6 | 168.4 | -87.8 | 161.1 | 0 | 0 | 0 | 110 | ||||
| 11 | P | 31.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 160.7 Ų | 160.7 | 70% | 0.695 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -84 | 157.2 | -168.9 | 33.8 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 12 | P | 34.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 133.1 | -178.8 | 30.6 | -31.7 | 0 | 0 | 0 | 112.9 | ||
| 13 | R | 30.9 | Very low | 30.2 | Very low | 244 Ų | 244 | 157.4 Ų | 157.4 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 136.5 | 172.8 | -76.7 | 177.8 | 171.3 | 169.2 | -3 | 111.8 | ||
| 14 | F | 28.3 | Very low | 30.4 | Very low | 215 Ų | 215 | 157.3 Ų | 157.3 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 127 | 167.9 | -92.1 | -100.7 | 0 | 0 | 0 | 112.1 | ||
| 15 | K | 31.8 | Very low | 30.6 | Very low | 190 Ų | 190 | 157.2 Ų | 157.2 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 123.4 | 166.4 | -82.3 | -177 | 175.9 | 179.7 | 0 | 110 | ||
| 16 | R | 27.1 | Very low | 30.7 | Very low | 242 Ų | 242 | 165.2 Ų | 165.2 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.5 | 165.9 | -78.1 | 176.7 | 172.5 | 177.8 | -3.2 | 109.3 | ||
| 17 | F | 29.9 | Very low | 31 | Very low | 206 Ų | 206 | 165.7 Ų | 165.7 | 90% | 0.904 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 123.7 | 165.8 | -89.1 | -87.6 | 0 | 0 | 0 | 109.6 | ||
| 18 | S | 28.3 | Very low | 31.2 | Very low | 107 Ų | 107 | 164.2 Ų | 164.2 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 149.7 | 175.4 | -49 | 0 | 0 | 0 | 0 | 110.7 | ||
| 19 | C | 27.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 159.2 Ų | 159.2 | 92% | 0.919 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 131.1 | 177.3 | -77.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 20 | L | 29.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 159.4 Ų | 159.4 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 118.1 | 161.9 | -93.9 | 146.3 | 0 | 0 | 0 | 108.9 | ||
| 21 | S | 28.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 158.2 Ų | 158.2 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -80 | 133.8 | 164.9 | 42.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 22 | L | 30.3 | Very low | 32.8 | Very low | 163 Ų | 163 | 159.2 Ų | 159.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -119.3 | 149.5 | 168.8 | -80.1 | 169.5 | 0 | 0 | 0 | 110.1 | ||||
| 23 | P | 35.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 158.2 Ų | 158.2 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -94.9 | 164.4 | -159.2 | 34 | -26.6 | 0 | 0 | 0 | 114.5 | ||||
| 24 | N | 30.6 | Very low | 33.6 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | trans | -49.9 | 130.5 | -180 | -69.4 | -31.2 | 0 | 0 | 0 | 114.7 | ||||
| 25 | I | 32.9 | Very low | 34.1 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -125.2 | 115.2 | 159.2 | -66.7 | 173.1 | 0 | 0 | 0 | 107.2 | I27 | I25-I27 HydrophobicContact CG2-CD1 4.21Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å | ||
| 26 | W | 31.1 | Very low | 34.5 | Very low | 238 Ų | 238 | 143.5 Ų | 143.5 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -90.9 | 120.1 | 172.9 | -80.4 | 78.1 | 0 | 0 | 0 | 109.1 | ||||
| 27 | I | 37.1 | Very low | 35.3 | Very low | 143 Ų | 143 | 138 Ų | 138 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -132.5 | 116.6 | 164.3 | -60.9 | 179.3 | 0 | 0 | 0 | 108.7 | I25 | I25-I27 HydrophobicContact CG2-CD1 4.21Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å | ||
| 28 | T | 37.5 | Very low | 35.9 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -2 | 114.2 | 164.2 | 56.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 29 | G | 40.9 | Very low | 36.7 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | 43.3 | 93.2 | 124.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 30 | M | 33.8 | Very low | 37.7 | Very low | 177 Ų | 177 | 133 Ų | 133 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -159.8 | 140.5 | 134.2 | -79.6 | -153.6 | 161.1 | 0 | 0 | 109.3 | V32 | M30-V32 PolarHBondContact O-N 3.35Š| ||
| 31 | P | 38.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -80.1 | 114.3 | -179.9 | 30.9 | -29.8 | 0 | 0 | 0 | 110.7 | ||||
| 32 | V | 43.1 | Very low | 39.8 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | trans | -90.1 | 128.9 | 169 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | M30 A34 | M30-V32 PolarHBondContact O-N 3.35Å; V32-A34 PolarHBondContact O-N 2.93Å | ||
| 33 | P | 41.3 | Very low | 40.8 | Very low | 107 Ų | 107 | 122 Ų | 122 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -66.3 | 129.8 | 178.7 | 25.7 | -31.1 | 0 | 0 | 0 | 110.2 | T35 | P33-T35 PolarHBondContact O-N 2.81Š| ||
| 34 | A | 41.2 | Very low | 42 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | -68 | 90.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V32 S36 | V32-A34 PolarHBondContact O-N 2.93Å; A34-S36 PolarHBondContact O-N 3.26Å | ||
| 35 | T | 39.2 | Very low | 43.3 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -78.9 | 99.4 | 161.5 | 52.7 | 0 | 0 | 0 | 0 | 107.9 | P33 V37 | P33-T35 PolarHBondContact O-N 2.81Å; T35-V37 PolarHBondContact O-N 3.15Å; T35-V37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | S | 40.5 | Very low | 44.8 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -63.5 | 106 | 168.4 | 45 | 0 | 0 | 0 | 0 | 109.1 | A34 P38 | A34-S36 PolarHBondContact O-N 3.26Å; S36-P38 WeakPolarHBondContact O-CD 3.26Å | ||
| 37 | V | 43.7 | Very low | 46.7 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -70 | 120.2 | 164.8 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | T35 C39 | T35-V37 PolarHBondContact O-N 3.15Å; T35-V37 VanDerWaalsContact O-N 3.09Å; V37-C39 PolarHBondContact O-N 2.95Å; V37-C39 VanDerWaalsContact O-N 3.13Å | ||
| 38 | P | 43.2 | Very low | 48.4 | Very low | 112 Ų | 112 | 113.8 Ų | 113.8 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -68.2 | 115.9 | 175.6 | -1.3 | 13.5 | 0 | 0 | 0 | 108.6 | S36 | S36-P38 WeakPolarHBondContact O-CD 3.26Š| ||
| 39 | C | 44 | Very low | 50.1 | Low | 114 Ų | 114 | 114.3 Ų | 114.3 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | -64.5 | 124 | 167.3 | -165.2 | 0 | 0 | 0 | 0 | 107.7 | V37 S41 | V37-C39 PolarHBondContact O-N 2.95Å; V37-C39 VanDerWaalsContact O-N 3.13Å; C39-S41 PolarHBondContact O-N 3.48Å | ||
| 40 | P | 49.1 | Very low | 51.7 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | trans | -65.6 | 106.1 | -180 | 25.3 | -31.5 | 0 | 0 | 0 | 108.7 | A42 | P40-A42 VanDerWaalsContact C-N 3.33Å; P40-A42 PolarHBondContact O-N 3.43Å | ||
| 41 | S | 50.8 | Low | 53.9 | Low | 116 Ų | 116 | 111.9 Ų | 111.9 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | trans | -68 | 93.9 | 171.3 | 55.1 | 0 | 0 | 0 | 0 | 108.3 | C39 G43 | C39-S41 PolarHBondContact O-N 3.48Å; S41-G43 VanDerWaalsContact C-N 3.35Å; S41-G43 PolarHBondContact O-N 3.06Å | ||
| 42 | A | 52.8 | Low | 55.8 | Low | 64 Ų | 64 | 110.9 Ų | 110.9 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | trans | -63.2 | 100.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | P40 | P40-A42 VanDerWaalsContact C-N 3.33Å; P40-A42 PolarHBondContact O-N 3.43Å | ||
| 43 | G | 50.9 | Low | 57.6 | Low | 35 Ų | 35 | 110.6 Ų | 110.6 | 36% | 0.361 | 66% | 0.657 | S | S | . | * | trans | -54.4 | 148.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S41 H45 R46 T47 | S41-G43 VanDerWaalsContact C-N 3.35Å; S41-G43 PolarHBondContact O-N 3.06Å; G43-H45 PolarHBondContact O-N 3.49Å; G43-R46 WeakPolarHBondContact O-CB 3.43Å; G43-R46 PolarHBondContact O-N 3.42Å; G43-T47 PolarHBondContact O-N 2.84Å; G43-T47 PolarHBondContact O-OG1 3.14Å | ||
| 44 | P | 60.5 | Low | 59.4 | Low | 104 Ų | 104 | 109.4 Ų | 109.4 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -54.4 | -29.7 | -170.7 | 18.3 | -31.2 | 0 | 0 | 0 | 113.7 | R46 M48 | P44-R46 PolarHBondContact O-N 2.82Å; P44-M48 WeakPolarHBondContact O-CB 3.24Å; P44-M48 PolarHBondContact O-N 3.23Å |
| 45 | H | 57 | Low | 61.3 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 65% | 0.648 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.4 | -31.2 | 174.3 | -71.5 | -69.4 | 0 | 0 | 0 | 114.4 | G43 K49 | G43-H45 PolarHBondContact O-N 3.49Å; H45-K49 VanDerWaalsContact O-CG 3.3Å; H45-K49 WeakPolarHBondContact O-CG 3.28Å; H45-K49 PolarHBondContact O-N 3.3Å |
| 46 | R | 65.4 | Low | 63.3 | Low | 191 Ų | 191 | 106.3 Ų | 106.3 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -76.6 | -41.1 | 179.9 | -148.3 | 176.4 | -170.9 | -174.8 | 2.3 | 110.3 | G43 P44 K49 V50 | G43-R46 WeakPolarHBondContact O-CB 3.43Å; G43-R46 PolarHBondContact O-N 3.42Å; P44-R46 PolarHBondContact O-N 2.82Å; R46-K49 PolarHBondContact O-N 3.15Å; R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.97Å; R46-V50 VanDerWaalsContact O-N 3.09Å |
| 47 | T | 70.1 | Confident | 65.1 | Low | 69 Ų | 69 | 102.8 Ų | 102.8 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.5 | -42 | 175.7 | -20.9 | 0 | 0 | 0 | 0 | 111.4 | G43 V50 L51 | G43-T47 PolarHBondContact O-N 2.84Å; G43-T47 PolarHBondContact O-OG1 3.14Å; T47-V50 PolarHBondContact O-N 2.79Å; T47-L51 WeakPolarHBondContact O-CG 3.34Å; T47-L51 PolarHBondContact O-N 3.41Å |
| 48 | M | 73.3 | Confident | 66.6 | Low | 111 Ų | 111 | 99.6 Ų | 99.6 | 55% | 0.547 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.1 | -39.1 | 177 | -170.3 | 149.8 | 65.4 | 0 | 0 | 112.9 | P44 L51 L52 | P44-M48 WeakPolarHBondContact O-CB 3.24Å; P44-M48 PolarHBondContact O-N 3.23Å; M48-L51 PolarHBondContact O-N 3.26Å; M48-L52 HydrophobicContact CG-CD1 4.23Å; M48-L52 WeakPolarHBondContact O-CB 3.23Å; M48-L52 WeakPolarHBondContact O-CG 3.4Å; M48-L52 PolarHBondContact O-N 3.01Å |
| 49 | K | 72.6 | Confident | 67.9 | Low | 144 Ų | 144 | 100.8 Ų | 100.8 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -40.3 | 173.5 | -76.6 | 177 | -178.3 | -176.8 | 0 | 112.4 | H45 R46 L53 | H45-K49 VanDerWaalsContact O-CG 3.3Å; H45-K49 WeakPolarHBondContact O-CG 3.28Å; H45-K49 PolarHBondContact O-N 3.3Å; R46-K49 PolarHBondContact O-N 3.15Å; K49-L53 WeakPolarHBondContact O-CB 3.45Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.46Å; K49-L53 PolarHBondContact O-N 3.43Å |
| 50 | V | 74.9 | Confident | 69.2 | Low | 84 Ų | 84 | 101.7 Ų | 101.7 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.2 | -42.5 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | R46 T47 L53 T54 | R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.97Å; R46-V50 VanDerWaalsContact O-N 3.09Å; T47-V50 PolarHBondContact O-N 2.79Å; V50-L53 PolarHBondContact O-N 3.44Å; V50-T54 HydrophobicContact CG1-CG2 4.32Å; V50-T54 WeakPolarHBondContact O-CB 3.15Å; V50-T54 VanDerWaalsContact O-CG2 3.29Å; V50-T54 WeakPolarHBondContact O-CG2 3.44Å; V50-T54 PolarHBondContact O-N 3.15Å; V50-T54 PolarHBondContact O-OG1 2.87Å |
| 51 | L | 79.4 | Confident | 70.2 | Confident | 117 Ų | 117 | 101 Ų | 101 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.7 | -41.1 | 175.6 | -78.9 | 165.9 | 0 | 0 | 0 | 112.6 | T47 M48 T54 G55 | T47-L51 WeakPolarHBondContact O-CG 3.34Å; T47-L51 PolarHBondContact O-N 3.41Å; M48-L51 PolarHBondContact O-N 3.26Å; L51-T54 WeakPolarHBondContact CA-OG1 3.39Å; L51-T54 PolarHBondContact O-OG1 2.84Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; L51-G55 PolarHBondContact O-N 2.87Å |
| 52 | L | 78.3 | Confident | 70.8 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.1 | -44.6 | 175.5 | -78.6 | 165.7 | 0 | 0 | 0 | 112 | M48 G55 L56 | M48-L52 HydrophobicContact CG-CD1 4.23Å; M48-L52 WeakPolarHBondContact O-CB 3.23Å; M48-L52 WeakPolarHBondContact O-CG 3.4Å; M48-L52 PolarHBondContact O-N 3.01Å; L52-G55 PolarHBondContact O-N 2.84Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 PolarHBondContact O-N 2.78Å |
| 53 | L | 80.6 | Confident | 71.4 | Confident | 123 Ų | 123 | 103.8 Ų | 103.8 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.8 | -38 | 178.9 | -73.8 | 170.2 | 0 | 0 | 0 | 112.6 | K49 V50 G57 | K49-L53 WeakPolarHBondContact O-CB 3.45Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.46Å; K49-L53 PolarHBondContact O-N 3.43Å; V50-L53 PolarHBondContact O-N 3.44Å; L53-G57 PolarHBondContact O-N 3.22Å |
| 54 | T | 79.9 | Confident | 71.9 | Confident | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.8 | -38 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | V50 L51 G57 A58 | V50-T54 HydrophobicContact CG1-CG2 4.32Å; V50-T54 WeakPolarHBondContact O-CB 3.15Å; V50-T54 VanDerWaalsContact O-CG2 3.29Å; V50-T54 WeakPolarHBondContact O-CG2 3.44Å; V50-T54 PolarHBondContact O-N 3.15Å; V50-T54 PolarHBondContact O-OG1 2.87Å; L51-T54 WeakPolarHBondContact CA-OG1 3.39Å; L51-T54 PolarHBondContact O-OG1 2.84Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; T54-G57 PolarHBondContact O-N 2.98Å; T54-A58 VanDerWaalsContact O-CB 3.3Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.93Å |
| 55 | G | 81.3 | Confident | 72.1 | Confident | 37 Ų | 37 | 109.4 Ų | 109.4 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -49.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L51 L52 G57 A58 L59 | L51-G55 PolarHBondContact O-N 2.87Å; L52-G55 PolarHBondContact O-N 2.84Å; G55-G57 VanDerWaalsContact C-N 3.31Å; G55-G57 PolarHBondContact O-N 2.77Å; G55-A58 PolarHBondContact O-N 3.25Å; G55-L59 WeakPolarHBondContact O-CB 3.42Å; G55-L59 PolarHBondContact O-N 3.35Å |
| 56 | L | 81.2 | Confident | 72.3 | Confident | 124 Ų | 124 | 109 Ų | 109 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.8 | -41.1 | 172.3 | -96.5 | 144.9 | 0 | 0 | 0 | 111.8 | L52 F60 | L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 PolarHBondContact O-N 2.78Å; L56-F60 WeakPolarHBondContact O-CB 3.48Å; L56-F60 PolarHBondContact O-N 3.44Å |
| 57 | G | 77.9 | Confident | 72.5 | Confident | 38 Ų | 38 | 102.9 Ų | 102.9 | 39% | 0.392 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L53 T54 G55 F61 | L53-G57 PolarHBondContact O-N 3.22Å; T54-G57 PolarHBondContact O-N 2.98Å; G55-G57 VanDerWaalsContact C-N 3.31Å; G55-G57 PolarHBondContact O-N 2.77Å; G57-F61 VanDerWaalsContact O-CB 3.29Å; G57-F61 WeakPolarHBondContact O-CB 3.41Å; G57-F61 PolarHBondContact O-N 3Å |
| 58 | A | 74.5 | Confident | 73.2 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.4 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | T54 G55 F61 A62 | T54-A58 VanDerWaalsContact O-CB 3.3Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.93Å; G55-A58 PolarHBondContact O-N 3.25Å; A58-F61 PolarHBondContact O-N 3.18Å; A58-A62 WeakPolarHBondContact O-CB 3.24Å; A58-A62 PolarHBondContact O-N 3.28Å |
| 59 | L | 72.6 | Confident | 74.1 | Confident | 136 Ų | 136 | 103.1 Ų | 103.1 | 71% | 0.712 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 176.5 | -137.4 | 112.2 | 0 | 0 | 0 | 111.4 | G55 F61 A62 Y63 | G55-L59 WeakPolarHBondContact O-CB 3.42Å; G55-L59 PolarHBondContact O-N 3.35Å; L59-F61 VanDerWaalsContact C-N 3.31Å; L59-F61 PolarHBondContact O-N 3.29Å; L59-A62 PolarHBondContact O-N 3.31Å; L59-Y63 VanDerWaalsContact O-CB 3.28Å; L59-Y63 WeakPolarHBondContact O-CB 3.32Å; L59-Y63 PolarHBondContact O-N 3.1Å |
| 60 | F | 71.3 | Confident | 75.1 | Confident | 133 Ų | 133 | 100.5 Ų | 100.5 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | 171.7 | -178.7 | -86.4 | 0 | 0 | 0 | 110.6 | L56 Y64 | L56-F60 WeakPolarHBondContact O-CB 3.48Å; L56-F60 PolarHBondContact O-N 3.44Å; F60-Y64 AromaticContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CE2 4.37Å; F60-Y64 AromaticContact CD2-CD2 3.92Å; F60-Y64 HydrophobicContact CD2-CD2 3.92Å; F60-Y64 AromaticContact CD2-CE2 3.68Å; F60-Y64 HydrophobicContact CD2-CE2 3.68Å; F60-Y64 AromaticContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CE2 4Å; F60-Y64 AromaticContact CE2-CD2 3.76Å; F60-Y64 HydrophobicContact CE2-CD2 3.76Å; F60-Y64 AromaticContact CE2-CE2 3.27Å; F60-Y64 HydrophobicContact CE2-CE2 3.27Å; F60-Y64 AromaticContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CE2 4.22Å; F60-Y64 AromaticContact CZ-CD2 3.59Å; F60-Y64 HydrophobicContact CZ-CD2 3.59Å; F60-Y64 AromaticContact CZ-CE2 3.44Å; F60-Y64 HydrophobicContact CZ-CE2 3.44Å; F60-Y64 VanDerWaalsContact CZ-CE2 3.44Å; F60-Y64 WeakPolarHBondContact O-CB 3.49Å; F60-Y64 VanDerWaalsContact O-CD2 3.23Å; F60-Y64 WeakPolarHBondContact O-CD2 3.47Å; F60-Y64 PolarHBondContact O-N 3.05Å; F60-Y64 VanDerWaalsContact O-N 3.09Å |
| 61 | F | 68.3 | Low | 76 | Confident | 102 Ų | 102 | 99.7 Ų | 99.7 | 45% | 0.447 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -47 | 178.4 | -152.8 | -88.5 | 0 | 0 | 0 | 111.4 | G57 A58 L59 Y63 Y64 W65 | G57-F61 VanDerWaalsContact O-CB 3.29Å; G57-F61 WeakPolarHBondContact O-CB 3.41Å; G57-F61 PolarHBondContact O-N 3Å; A58-F61 PolarHBondContact O-N 3.18Å; L59-F61 VanDerWaalsContact C-N 3.31Å; L59-F61 PolarHBondContact O-N 3.29Å; F61-Y63 PolarHBondContact O-N 2.78Å; F61-Y64 PolarHBondContact O-N 2.9Å; F61-W65 HydrophobicContact CD1-CB 4.2Å; F61-W65 HydrophobicContact CD1-CD2 4.38Å; F61-W65 HydrophobicContact CD1-CE3 4.23Å; F61-W65 HydrophobicContact CD1-CG 4.39Å; F61-W65 HydrophobicContact CE1-CB 4.29Å; F61-W65 AromaticContact CE1-CD2 3.62Å; F61-W65 HydrophobicContact CE1-CD2 3.62Å; F61-W65 AromaticContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CE3 3.43Å; F61-W65 VanDerWaalsContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CG 4.01Å; F61-W65 AromaticContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE2-CE3 4.17Å; F61-W65 HydrophobicContact CE2-CZ3 4.23Å; F61-W65 HydrophobicContact CZ-CD2 4.04Å; F61-W65 AromaticContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CH2 4.2Å; F61-W65 AromaticContact CZ-CZ3 3.49Å; F61-W65 HydrophobicContact CZ-CZ3 3.49Å; F61-W65 VanDerWaalsContact CZ-CZ3 3.49Å; F61-W65 WeakPolarHBondContact O-CB 3.26Å; F61-W65 PolarHBondContact O-N 2.93Å |
| 62 | A | 63.6 | Low | 76.7 | Confident | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A58 L59 Y64 W65 D66 | A58-A62 WeakPolarHBondContact O-CB 3.24Å; A58-A62 PolarHBondContact O-N 3.28Å; L59-A62 PolarHBondContact O-N 3.31Å; A62-Y64 VanDerWaalsContact C-N 3.27Å; A62-Y64 PolarHBondContact O-N 3.44Å; A62-W65 PolarHBondContact O-N 2.91Å; A62-D66 PolarHBondContact O-N 2.88Å; A62-D66 VanDerWaalsContact O-N 3.07Å |
| 63 | Y | 65 | Low | 77.5 | Confident | 180 Ų | 180 | 94.3 Ų | 94.3 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -32 | 178.1 | -178.1 | -97.4 | 0 | 0 | 0 | 113.4 | L59 F61 | L59-Y63 VanDerWaalsContact O-CB 3.28Å; L59-Y63 WeakPolarHBondContact O-CB 3.32Å; L59-Y63 PolarHBondContact O-N 3.1Å; F61-Y63 PolarHBondContact O-N 2.78Å |
| 64 | Y | 62.4 | Low | 78.3 | Confident | 104 Ų | 104 | 88.4 Ų | 88.4 | 41% | 0.408 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -93 | -10.9 | 179.5 | -82.4 | -61.9 | 0 | 0 | 0 | 114.8 | F60 F61 A62 R305 | F60-Y64 AromaticContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CE2 4.37Å; F60-Y64 AromaticContact CD2-CD2 3.92Å; F60-Y64 HydrophobicContact CD2-CD2 3.92Å; F60-Y64 AromaticContact CD2-CE2 3.68Å; F60-Y64 HydrophobicContact CD2-CE2 3.68Å; F60-Y64 AromaticContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CE2 4Å; F60-Y64 AromaticContact CE2-CD2 3.76Å; F60-Y64 HydrophobicContact CE2-CD2 3.76Å; F60-Y64 AromaticContact CE2-CE2 3.27Å; F60-Y64 HydrophobicContact CE2-CE2 3.27Å; F60-Y64 AromaticContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CE2 4.22Å; F60-Y64 AromaticContact CZ-CD2 3.59Å; F60-Y64 HydrophobicContact CZ-CD2 3.59Å; F60-Y64 AromaticContact CZ-CE2 3.44Å; F60-Y64 HydrophobicContact CZ-CE2 3.44Å; F60-Y64 VanDerWaalsContact CZ-CE2 3.44Å; F60-Y64 WeakPolarHBondContact O-CB 3.49Å; F60-Y64 VanDerWaalsContact O-CD2 3.23Å; F60-Y64 WeakPolarHBondContact O-CD2 3.47Å; F60-Y64 PolarHBondContact O-N 3.05Å; F60-Y64 VanDerWaalsContact O-N 3.09Å; F61-Y64 PolarHBondContact O-N 2.9Å; A62-Y64 VanDerWaalsContact C-N 3.27Å; A62-Y64 PolarHBondContact O-N 3.44Å; Y64-R305 PolarHBondContact OH-NH2 3.07Å; Y64-R305 VanDerWaalsContact OH-NH2 3.17Å |
| 65 | W | 64.9 | Low | 79.1 | Confident | 154 Ų | 154 | 91.6 Ų | 91.6 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -110 | -24.8 | -173.2 | -154.6 | -81.3 | 0 | 0 | 0 | 113.6 | F61 A62 D67 W302 | F61-W65 HydrophobicContact CD1-CB 4.2Å; F61-W65 HydrophobicContact CD1-CD2 4.38Å; F61-W65 HydrophobicContact CD1-CE3 4.23Å; F61-W65 HydrophobicContact CD1-CG 4.39Å; F61-W65 HydrophobicContact CE1-CB 4.29Å; F61-W65 AromaticContact CE1-CD2 3.62Å; F61-W65 HydrophobicContact CE1-CD2 3.62Å; F61-W65 AromaticContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CE3 3.43Å; F61-W65 VanDerWaalsContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CG 4.01Å; F61-W65 AromaticContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE2-CE3 4.17Å; F61-W65 HydrophobicContact CE2-CZ3 4.23Å; F61-W65 HydrophobicContact CZ-CD2 4.04Å; F61-W65 AromaticContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CH2 4.2Å; F61-W65 AromaticContact CZ-CZ3 3.49Å; F61-W65 HydrophobicContact CZ-CZ3 3.49Å; F61-W65 VanDerWaalsContact CZ-CZ3 3.49Å; F61-W65 WeakPolarHBondContact O-CB 3.26Å; F61-W65 PolarHBondContact O-N 2.93Å; A62-W65 PolarHBondContact O-N 2.91Å; W65-D67 PolarHBondContact O-N 2.96Å; W65-W302 AromaticContact CZ3-CD1 3.93Å; W65-W302 HydrophobicContact CZ3-CG 4.33Å |
| 66 | D | 61.3 | Low | 79.9 | Confident | 132 Ų | 132 | 91.4 Ų | 91.4 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | trans | -86.1 | 106 | 173.8 | -147.6 | 9.4 | 0 | 0 | 0 | 109.3 | A62 | A62-D66 PolarHBondContact O-N 2.88Å; A62-D66 VanDerWaalsContact O-N 3.07Å | ||
| 67 | D | 70.4 | Confident | 80.7 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 33% | 0.326 | 46% | 0.461 | S | S | . | . | trans | -92.8 | 131.5 | 169.2 | 53.1 | 34 | 0 | 0 | 0 | 109.4 | W65 F69 R289 T293 | W65-D67 PolarHBondContact O-N 2.96Å; D67-F69 HydrophobicContact CB-CB 4.45Å; D67-F69 PolarHBondContact O-N 3.46Å; D67-R289 IonicContact OD1-CZ 3.77Å; D67-R289 IonicContact OD1-NH1 3.79Å; D67-R289 PolarHBondContact OD1-NH1 2.83Å; D67-R289 WeakPolarHBondContact OD2-CD 3.38Å; D67-R289 IonicContact OD2-NH1 2.75Å; D67-R289 PolarHBondContact OD2-NH1 2.85Å; D67-T293 HydrophobicContact CB-CG2 4.38Å | ||
| 68 | N | 84.1 | Confident | 81.7 | Confident | 154 Ų | 154 | 86.6 Ų | 86.6 | 82% | 0.824 | 45% | 0.452 | S | S | * | . | trans | -73.6 | 39.1 | 173.5 | -69.9 | -15.8 | 0 | 0 | 0 | 111.4 | D70 | N68-D70 PolarHBondContact O-N 2.75Š| ||
| 69 | F | 92.1 | Very high | 82.9 | Confident | 32 Ų | 32 | 83.7 Ų | 83.7 | 14% | 0.14 | 43% | 0.428 | C | S | . | . | trans | -73.3 | 111.8 | -177.3 | 174.1 | -111.5 | 0 | 0 | 0 | 110.1 | D67 P71 L74 L99 I288 R289 A292 T293 | D67-F69 HydrophobicContact CB-CB 4.45Å; D67-F69 PolarHBondContact O-N 3.46Å; F69-P71 HydrophobicContact CD1-CG 4.35Å; F69-P71 HydrophobicContact CE1-CB 4.38Å; F69-P71 HydrophobicContact CE1-CG 3.91Å; F69-P71 WeakPolarHBondContact O-CD 3.36Å; F69-L74 HydrophobicContact CE2-CD1 3.8Å; F69-L74 HydrophobicContact CZ-CD1 4.01Å; F69-L99 HydrophobicContact CZ-CD1 4.38Å; F69-I288 HydrophobicContact CE2-CG2 4.35Å; F69-I288 HydrophobicContact CZ-CG2 4.42Å; F69-R289 HydrophobicContact CB-CB 4.45Å; F69-R289 HydrophobicContact CB-CG 4.16Å; F69-R289 HydrophobicContact CD1-CG 3.75Å; F69-R289 HydrophobicContact CD2-CB 4.19Å; F69-R289 HydrophobicContact CD2-CG 3.88Å; F69-R289 HydrophobicContact CE1-CG 4.06Å; F69-R289 HydrophobicContact CE2-CG 4.2Å; F69-R289 HydrophobicContact CG-CB 4.22Å; F69-R289 HydrophobicContact CG-CG 3.63Å; F69-R289 HydrophobicContact CZ-CG 4.28Å; F69-A292 HydrophobicContact CD2-CB 3.8Å; F69-A292 HydrophobicContact CE2-CB 3.71Å; F69-T293 HydrophobicContact CB-CG2 4.02Å | ||
| 70 | D | 93.2 | Very high | 84.2 | Confident | 89 Ų | 89 | 77.2 Ų | 77.2 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | trans | -96.5 | 113.4 | 170.2 | 176.8 | 14 | 0 | 0 | 0 | 110.1 | N68 A72 S73 | N68-D70 PolarHBondContact O-N 2.75Å; D70-A72 PolarHBondContact O-N 3.1Å; D70-A72 WeakPolarHBondContact OD1-CB 3.34Å; D70-A72 PolarHBondContact OD1-N 3.49Å; D70-S73 WeakPolarHBondContact O-CB 3.38Å; D70-S73 PolarHBondContact O-N 3.36Å; D70-S73 VanDerWaalsContact O-N 3.14Å; D70-S73 PolarHBondContact O-OG 3.03Å | ||
| 71 | P | 93.1 | Very high | 85.5 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -56 | -31.7 | 174.8 | -24.9 | 34.8 | 0 | 0 | 0 | 113.9 | F69 S73 L74 L99 | F69-P71 HydrophobicContact CD1-CG 4.35Å; F69-P71 HydrophobicContact CE1-CB 4.38Å; F69-P71 HydrophobicContact CE1-CG 3.91Å; F69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-S73 PolarHBondContact O-N 3.18Å; P71-L74 PolarHBondContact O-N 3.34Å; P71-L99 HydrophobicContact CB-CD2 3.78Å |
| 72 | A | 94.3 | Very high | 86.9 | Confident | 58 Ų | 58 | 66 Ų | 66 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -67.4 | -24.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D70 L74 Q75 | D70-A72 PolarHBondContact O-N 3.1Å; D70-A72 WeakPolarHBondContact OD1-CB 3.34Å; D70-A72 PolarHBondContact OD1-N 3.49Å; A72-L74 PolarHBondContact O-N 3.18Å; A72-Q75 WeakPolarHBondContact O-CB 3.37Å; A72-Q75 PolarHBondContact O-N 3.35Å; A72-Q75 VanDerWaalsContact O-N 3.08Å |
| 73 | S | 95.3 | Very high | 88.4 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -61.1 | -15.6 | 175.7 | 71.7 | 0 | 0 | 0 | 0 | 114.3 | D70 P71 | D70-S73 WeakPolarHBondContact O-CB 3.38Å; D70-S73 PolarHBondContact O-N 3.36Å; D70-S73 VanDerWaalsContact O-N 3.14Å; D70-S73 PolarHBondContact O-OG 3.03Å; P71-S73 PolarHBondContact O-N 3.18Å |
| 74 | L | 97.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -103.9 | -6 | 179.5 | -69.5 | 173.4 | 0 | 0 | 0 | 113.6 | F69 P71 A72 G76 A77 Y96 L99 S101 Y157 I288 A292 | F69-L74 HydrophobicContact CE2-CD1 3.8Å; F69-L74 HydrophobicContact CZ-CD1 4.01Å; P71-L74 PolarHBondContact O-N 3.34Å; A72-L74 PolarHBondContact O-N 3.18Å; L74-G76 PolarHBondContact O-N 3.31Å; L74-A77 HydrophobicContact CD2-CB 4.43Å; L74-A77 WeakPolarHBondContact O-CB 3.45Å; L74-A77 PolarHBondContact O-N 3.36Å; L74-Y96 HydrophobicContact CD1-CE1 4.28Å; L74-Y96 HydrophobicContact CD2-CD1 4.48Å; L74-Y96 HydrophobicContact CD2-CE1 3.96Å; L74-L99 CarbonylContact C-O 3.56Å; L74-L99 HydrophobicContact CB-CB 4.05Å; L74-L99 HydrophobicContact CD1-CD1 3.66Å; L74-S101 WeakPolarHBondContact O-CA 3.49Å; L74-S101 PolarHBondContact O-OG 3.14Å; L74-Y157 HydrophobicContact CD2-CD2 4.31Å; L74-Y157 HydrophobicContact CD2-CE1 4.15Å; L74-Y157 HydrophobicContact CD2-CE2 3.59Å; L74-Y157 VanDerWaalsContact CD2-CZ 3.5Å; L74-I288 HydrophobicContact CD1-CG2 3.31Å; L74-A292 HydrophobicContact CD1-CB 4.28Å; L74-A292 HydrophobicContact CD2-CB 4.41Å; L74-A292 HydrophobicContact CG-CB 4.38Å |
| 75 | Q | 97.9 | Very high | 91.1 | Very high | 149 Ų | 149 | 51.4 Ų | 51.4 | 70% | 0.696 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 124.4 | 176.9 | -171.3 | 169.6 | 6.8 | 0 | 0 | 110 | A72 A77 L99 | A72-Q75 WeakPolarHBondContact O-CB 3.37Å; A72-Q75 PolarHBondContact O-N 3.35Å; A72-Q75 VanDerWaalsContact O-N 3.08Å; Q75-A77 PolarHBondContact O-N 3.43Å; Q75-L99 WeakPolarHBondContact CA-O 3.42Å; Q75-L99 PolarHBondContact N-O 3.14Å |
| 76 | G | 97.9 | Very high | 92.1 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -4.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L74 G100 H102 | L74-G76 PolarHBondContact O-N 3.31Å; G76-G100 PolarHBondContact N-O 3.42Å; G76-H102 PolarHBondContact O-ND1 2.99Å |
| 77 | A | 98.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | trans | -60.6 | 138.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L74 Q75 V79 S101 H102 Y157 | L74-A77 HydrophobicContact CD2-CB 4.43Å; L74-A77 WeakPolarHBondContact O-CB 3.45Å; L74-A77 PolarHBondContact O-N 3.36Å; Q75-A77 PolarHBondContact O-N 3.43Å; A77-V79 HydrophobicContact CB-CG2 4.46Å; A77-S101 CarbonylContact O-C 3.56Å; A77-S101 WeakPolarHBondContact O-CA 3.41Å; A77-S101 WeakPolarHBondContact O-CB 3.37Å; A77-H102 PolarHBondContact O-N 3.26Å; A77-Y157 HydrophobicContact CB-CD2 4.09Å; A77-Y157 HydrophobicContact CB-CE2 3.92Å | ||
| 78 | R | 98.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 37 Ų | 37 | 21% | 0.208 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 108.7 | -177.6 | -59.3 | 166.2 | -62.4 | 170.1 | 5.4 | 109.7 | L152 G153 G154 D156 Y157 | R78-L152 HydrophobicContact CB-CB 4.09Å; R78-L152 HydrophobicContact CB-CD1 4.02Å; R78-L152 VanDerWaalsContact CD-O 3.23Å; R78-L152 WeakPolarHBondContact CD-O 3.34Å; R78-L152 HydrophobicContact CG-CB 4.12Å; R78-G153 PolarHBondContact NH1-O 3.28Å; R78-G154 WeakPolarHBondContact CB-O 3.36Å; R78-G154 WeakPolarHBondContact CD-O 3.28Å; R78-D156 WeakPolarHBondContact CB-OD2 3.33Å; R78-D156 WeakPolarHBondContact CG-OD2 3.21Å; R78-D156 IonicContact CZ-OD1 3.52Å; R78-D156 IonicContact CZ-OD2 3.81Å; R78-D156 PolarHBondContact N-OD2 2.97Å; R78-D156 IonicContact NE-OD1 3.46Å; R78-D156 PolarHBondContact NE-OD1 3.04Å; R78-D156 IonicContact NE-OD2 2.96Å; R78-D156 PolarHBondContact NE-OD2 3.18Å; R78-D156 IonicContact NH2-OD1 3.2Å; R78-D156 PolarHBondContact NH2-OD1 3.16Å; R78-D156 IonicContact NH2-OD2 3.78Å; R78-D156 PolarHBondContact O-N 3.24Å; R78-Y157 PolarHBondContact O-N 2.97Å |
| 79 | V | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.8 | -170.1 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | A77 Y96 H102 L103 V104 Y157 V159 | A77-V79 HydrophobicContact CB-CG2 4.46Å; V79-Y96 HydrophobicContact CG1-CD1 4.4Å; V79-Y96 HydrophobicContact CG1-CD2 4.11Å; V79-Y96 HydrophobicContact CG1-CE1 4.24Å; V79-Y96 HydrophobicContact CG1-CE2 3.96Å; V79-Y96 HydrophobicContact CG1-CG 4.34Å; V79-Y96 HydrophobicContact CG2-CD1 3.91Å; V79-Y96 HydrophobicContact CG2-CE1 3.97Å; V79-Y96 HydrophobicContact CG2-CG 4.44Å; V79-H102 PolarHBondContact N-O 3.29Å; V79-L103 HydrophobicContact CB-CD2 3.76Å; V79-L103 HydrophobicContact CG1-CD2 4.13Å; V79-L103 HydrophobicContact CG2-CD2 4.36Å; V79-V104 PolarHBondContact O-N 2.82Å; V79-Y157 WeakPolarHBondContact CA-O 3.45Å; V79-Y157 HydrophobicContact CG2-CD2 4.14Å; V79-Y157 HydrophobicContact CG2-CG 4.36Å; V79-V159 HydrophobicContact CG1-CG2 3.97Å |
| 80 | L | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.9 | 164.9 | 172.4 | 55.2 | 0 | 0 | 0 | 109.4 | V104 V144 V145 A148 L155 Y157 L158 V159 | L80-V104 HydrophobicContact CD1-CB 4.11Å; L80-V104 HydrophobicContact CD1-CG1 3.75Å; L80-V144 HydrophobicContact CD1-CG1 3.92Å; L80-V144 HydrophobicContact CD2-CG1 4.1Å; L80-V145 HydrophobicContact CD2-CG2 3.99Å; L80-A148 HydrophobicContact CB-CB 4.23Å; L80-A148 HydrophobicContact CD1-CB 4.09Å; L80-A148 HydrophobicContact CD2-CB 3.89Å; L80-A148 HydrophobicContact CG-CB 4.29Å; L80-L155 HydrophobicContact CB-CD1 4.37Å; L80-L155 HydrophobicContact CB-CD2 3.76Å; L80-L155 HydrophobicContact CD2-CD1 4.36Å; L80-Y157 PolarHBondContact N-O 3.37Å; L80-L158 HydrophobicContact CB-CD1 4.15Å; L80-L158 HydrophobicContact CD2-CD1 3.76Å; L80-L158 HydrophobicContact CG-CD1 3.84Å; L80-V159 PolarHBondContact O-N 3.29Å |
| 81 | L | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120.9 | -177.8 | 173.9 | 60.6 | 0 | 0 | 0 | 111.9 | A84 G89 L92 A93 V104 L105 T106 V159 N161 | L81-A84 HydrophobicContact CD2-CB 4.17Å; L81-A84 HydrophobicContact CG-CB 4.06Å; L81-G89 WeakPolarHBondContact CD2-O 3.34Å; L81-L92 HydrophobicContact CD1-CB 4.18Å; L81-L92 HydrophobicContact CD1-CD1 3.92Å; L81-L92 HydrophobicContact CD2-CB 3.72Å; L81-A93 HydrophobicContact CD2-CB 3.8Å; L81-V104 PolarHBondContact N-O 2.9Å; L81-L105 HydrophobicContact CB-CD2 3.97Å; L81-L105 HydrophobicContact CD2-CD2 4.02Å; L81-L105 HydrophobicContact CG-CD2 4.38Å; L81-T106 PolarHBondContact O-N 3.09Å; L81-V159 HydrophobicContact CD1-CB 3.67Å; L81-V159 HydrophobicContact CD1-CG1 3.5Å; L81-N161 HydrophobicContact CD1-CB 4.35Å |
| 82 | T | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.8 | 178.1 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | A84 T106 V159 L160 N161 H162 L192 | T82-A84 VanDerWaalsContact C-N 3.34Å; T82-T106 CarbonylContact C-O 3.58Å; T82-T106 HydrophobicContact CG2-CG2 3.65Å; T82-V159 PolarHBondContact N-O 3.46Å; T82-V159 PolarHBondContact OG1-O 3.2Å; T82-V159 VanDerWaalsContact OG1-O 3.06Å; T82-L160 HydrophobicContact CG2-CD2 4.35Å; T82-L160 WeakPolarHBondContact OG1-CA 3.26Å; T82-N161 WeakPolarHBondContact O-CB 3.49Å; T82-N161 PolarHBondContact O-ND2 3.48Å; T82-N161 VanDerWaalsContact O-ND2 3.1Å; T82-N161 PolarHBondContact OG1-N 3.34Å; T82-H162 VanDerWaalsContact CB-ND1 3.27Å; T82-H162 WeakPolarHBondContact CB-ND1 3.41Å; T82-H162 PolarHBondContact O-N 2.95Å; T82-H162 PolarHBondContact OG1-N 3.18Å; T82-H162 PolarHBondContact OG1-ND1 3.36Å; T82-L192 HydrophobicContact CG2-CD1 3.85Å |
| 83 | G | 95.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 22 Ų | 22 | 9% | 0.093 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 68 | 34.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N85 G89 T106 N161 | G83-N85 VanDerWaalsContact C-N 3.27Å; G83-N85 PolarHBondContact O-N 2.97Å; G83-G89 WeakPolarHBondContact O-CA 3.5Å; G83-T106 PolarHBondContact N-O 3.01Å; G83-N161 PolarHBondContact O-ND2 3.47Å |
| 84 | A | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 3.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L81 T82 L105 T106 L113 | L81-A84 HydrophobicContact CD2-CB 4.17Å; L81-A84 HydrophobicContact CG-CB 4.06Å; T82-A84 VanDerWaalsContact C-N 3.34Å; A84-L105 HydrophobicContact CB-CB 3.89Å; A84-L105 HydrophobicContact CB-CD1 4.42Å; A84-L105 HydrophobicContact CB-CD2 4.05Å; A84-L105 HydrophobicContact CB-CG 4.35Å; A84-T106 PolarHBondContact N-O 2.92Å; A84-T106 VanDerWaalsContact N-O 3.14Å; A84-L113 HydrophobicContact CB-CD2 4.15Å |
| 85 | N | 88.3 | Confident | 95.3 | Very high | 26 Ų | 26 | 21.6 Ų | 21.6 | 14% | 0.139 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -18.6 | -173.4 | 59.7 | -31.2 | 0 | 0 | 0 | 114.6 | G83 A107 L112 L113 | G83-N85 VanDerWaalsContact C-N 3.27Å; G83-N85 PolarHBondContact O-N 2.97Å; N85-A107 HydrophobicContact CB-CB 3.54Å; N85-L112 HydrophobicContact CB-CB 3.81Å; N85-L112 HydrophobicContact CB-CD1 4.29Å; N85-L113 HydrophobicContact CB-CD2 4.49Å |
| 86 | A | 86.3 | Confident | 95.3 | Very high | 13 Ų | 13 | 14.5 Ų | 14.5 | 11% | 0.107 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -168.6 | 167.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G89 E90 R262 | A86-G89 PolarHBondContact O-N 3.5Å; A86-E90 PolarHBondContact O-N 3.23Å; A86-R262 VanDerWaalsContact CB-CZ 3.5Å |
| 87 | G | 85.8 | Confident | 95.4 | Very high | 31 Ų | 31 | 13 Ų | 13 | 32% | 0.32 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | 64.3 | -136 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | G89 E90 E91 | G87-G89 VanDerWaalsContact C-N 3.25Å; G87-G89 PolarHBondContact O-N 3.07Å; G87-E90 PolarHBondContact O-N 3.1Å; G87-E91 WeakPolarHBondContact O-CG 3.5Å; G87-E91 PolarHBondContact O-N 3.18Å |
| 88 | V | 88.6 | Confident | 95.3 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.4 | -32.2 | -179.7 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | E91 L92 L257 R260 A283 A284 | V88-E91 PolarHBondContact O-N 3.06Å; V88-L92 HydrophobicContact CG1-CD1 3.84Å; V88-L92 HydrophobicContact CG1-CG 3.99Å; V88-L92 VanDerWaalsContact O-CB 3.28Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 WeakPolarHBondContact O-CG 3.39Å; V88-L92 PolarHBondContact O-N 2.83Å; V88-L257 HydrophobicContact CG1-CD1 4.32Å; V88-R260 VanDerWaalsContact CB-CZ 3.49Å; V88-R260 VanDerWaalsContact CG2-NE 3.35Å; V88-A283 HydrophobicContact CG2-CB 4.4Å; V88-A284 HydrophobicContact CG1-CB 4.23Å |
| 89 | G | 92.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L81 G83 A86 G87 L92 A93 N161 | L81-G89 WeakPolarHBondContact CD2-O 3.34Å; G83-G89 WeakPolarHBondContact O-CA 3.5Å; A86-G89 PolarHBondContact O-N 3.5Å; G87-G89 VanDerWaalsContact C-N 3.25Å; G87-G89 PolarHBondContact O-N 3.07Å; G89-L92 PolarHBondContact O-N 3.32Å; G89-A93 PolarHBondContact O-N 3.4Å; G89-N161 WeakPolarHBondContact CA-ND2 3.47Å |
| 90 | E | 94.6 | Very high | 95.2 | Very high | 40 Ų | 40 | 18.4 Ų | 18.4 | 19% | 0.187 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | 173.3 | 170.2 | 177.7 | -152.7 | 0 | 0 | 111.2 | A86 G87 L92 A93 Y94 V116 | A86-E90 PolarHBondContact O-N 3.23Å; G87-E90 PolarHBondContact O-N 3.1Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.83Å; E90-A93 WeakPolarHBondContact O-CB 3.38Å; E90-A93 PolarHBondContact O-N 3.34Å; E90-A93 VanDerWaalsContact O-N 3.14Å; E90-Y94 HydrophobicContact CG-CD2 4Å; E90-Y94 HydrophobicContact CG-CE1 4.19Å; E90-Y94 HydrophobicContact CG-CE2 3.27Å; E90-Y94 WeakPolarHBondContact CG-OH 3.48Å; E90-Y94 PolarHBondContact O-N 3.49Å; E90-Y94 PolarHBondContact OE1-OH 2.95Å; E90-V116 HydrophobicContact CB-CG2 4.35Å; E90-V116 HydrophobicContact CG-CG2 3.99Å |
| 91 | E | 95.7 | Very high | 95.2 | Very high | 43 Ų | 43 | 18.4 Ų | 18.4 | 20% | 0.201 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64 | -36 | 177.4 | -68.2 | -61 | 153.9 | 0 | 0 | 112.8 | G87 V88 Y94 H95 P281 A284 | G87-E91 WeakPolarHBondContact O-CG 3.5Å; G87-E91 PolarHBondContact O-N 3.18Å; V88-E91 PolarHBondContact O-N 3.06Å; E91-Y94 PolarHBondContact O-N 3.05Å; E91-H95 PolarHBondContact O-CD2 3.26Å; E91-H95 PolarHBondContact O-N 3.29Å; E91-P281 HydrophobicContact CG-CG 4.27Å; E91-A284 HydrophobicContact CB-CB 3.59Å |
| 92 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 171.7 | -77.9 | 169.7 | 0 | 0 | 0 | 110.4 | L81 V88 G89 E90 Y94 H95 Y96 V159 N161 A284 V287 I288 | L81-L92 HydrophobicContact CD1-CB 4.18Å; L81-L92 HydrophobicContact CD1-CD1 3.92Å; L81-L92 HydrophobicContact CD2-CB 3.72Å; V88-L92 HydrophobicContact CG1-CD1 3.84Å; V88-L92 HydrophobicContact CG1-CG 3.99Å; V88-L92 VanDerWaalsContact O-CB 3.28Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 WeakPolarHBondContact O-CG 3.39Å; V88-L92 PolarHBondContact O-N 2.83Å; G89-L92 PolarHBondContact O-N 3.32Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.83Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.31Å; L92-H95 PolarHBondContact O-N 3.05Å; L92-Y96 HydrophobicContact CD2-CE2 4.4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.22Å; L92-Y96 PolarHBondContact O-N 2.99Å; L92-V159 HydrophobicContact CD1-CG1 4.13Å; L92-N161 HydrophobicContact CD1-CB 4.27Å; L92-A284 HydrophobicContact CD2-CB 3.98Å; L92-A284 WeakPolarHBondContact CD2-O 3.3Å; L92-A284 HydrophobicContact CG-CB 3.95Å; L92-V287 HydrophobicContact CD1-CG1 4.38Å; L92-V287 HydrophobicContact CD2-CB 3.96Å; L92-V287 HydrophobicContact CD2-CG1 3.81Å; L92-I288 HydrophobicContact CD2-CD1 3.9Å; L92-I288 HydrophobicContact CD2-CG1 3.54Å |
| 93 | A | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L81 G89 E90 A97 L105 V116 C120 | L81-A93 HydrophobicContact CD2-CB 3.8Å; G89-A93 PolarHBondContact O-N 3.4Å; E90-A93 WeakPolarHBondContact O-CB 3.38Å; E90-A93 PolarHBondContact O-N 3.34Å; E90-A93 VanDerWaalsContact O-N 3.14Å; A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 3.46Å; A93-L105 HydrophobicContact CB-CD1 4Å; A93-L105 HydrophobicContact CB-CD2 3.93Å; A93-V116 HydrophobicContact CB-CG1 3.77Å; A93-C120 PolarHBondContact O-SG 3.37Å; A93-C120 VanDerWaalsContact O-SG 3.4Å |
| 94 | Y | 98.2 | Very high | 95.4 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 178 | -63.9 | -18.1 | 0 | 0 | 0 | 113.2 | E90 E91 L92 A97 R98 V116 N119 L123 | E90-Y94 HydrophobicContact CG-CD2 4Å; E90-Y94 HydrophobicContact CG-CE1 4.19Å; E90-Y94 HydrophobicContact CG-CE2 3.27Å; E90-Y94 WeakPolarHBondContact CG-OH 3.48Å; E90-Y94 PolarHBondContact O-N 3.49Å; E90-Y94 PolarHBondContact OE1-OH 2.95Å; E91-Y94 PolarHBondContact O-N 3.05Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.31Å; Y94-A97 WeakPolarHBondContact O-CB 3.44Å; Y94-A97 PolarHBondContact O-N 3.01Å; Y94-R98 WeakPolarHBondContact O-CG 3.27Å; Y94-R98 PolarHBondContact O-N 2.93Å; Y94-V116 HydrophobicContact CD1-CG1 4.49Å; Y94-V116 HydrophobicContact CE1-CB 4.43Å; Y94-V116 HydrophobicContact CE1-CG1 3.83Å; Y94-N119 HydrophobicContact CD1-CB 4.27Å; Y94-N119 HydrophobicContact CE1-CB 3.44Å; Y94-N119 VanDerWaalsContact CE1-CB 3.44Å; Y94-N119 PolarHBondContact OH-ND2 3.47Å; Y94-L123 HydrophobicContact CD1-CD1 3.73Å; Y94-L123 HydrophobicContact CG-CD1 3.74Å |
| 95 | H | 98 | Very high | 95.6 | Very high | 30 Ų | 30 | 19.8 Ų | 19.8 | 14% | 0.139 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.1 | -46.6 | 175.8 | -78.1 | -57.8 | 0 | 0 | 0 | 112.2 | E91 L92 A97 R98 L99 P281 I288 | E91-H95 PolarHBondContact O-CD2 3.26Å; E91-H95 PolarHBondContact O-N 3.29Å; L92-H95 PolarHBondContact O-N 3.05Å; H95-A97 PolarHBondContact O-N 2.79Å; H95-R98 PolarHBondContact O-N 2.95Å; H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CD1 3.3Å; H95-L99 WeakPolarHBondContact O-CG 3.27Å; H95-L99 PolarHBondContact O-N 3.08Å; H95-P281 PolarHBondContact NE2-O 3.29Å; H95-I288 HydrophobicContact CB-CD1 3.26Å |
| 96 | Y | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.3 | -37.1 | 173.8 | -80.1 | -62.9 | 0 | 0 | 0 | 112 | L74 V79 L92 L99 G100 S101 L103 V159 I288 | L74-Y96 HydrophobicContact CD1-CE1 4.28Å; L74-Y96 HydrophobicContact CD2-CD1 4.48Å; L74-Y96 HydrophobicContact CD2-CE1 3.96Å; V79-Y96 HydrophobicContact CG1-CD1 4.4Å; V79-Y96 HydrophobicContact CG1-CD2 4.11Å; V79-Y96 HydrophobicContact CG1-CE1 4.24Å; V79-Y96 HydrophobicContact CG1-CE2 3.96Å; V79-Y96 HydrophobicContact CG1-CG 4.34Å; V79-Y96 HydrophobicContact CG2-CD1 3.91Å; V79-Y96 HydrophobicContact CG2-CE1 3.97Å; V79-Y96 HydrophobicContact CG2-CG 4.44Å; L92-Y96 HydrophobicContact CD2-CE2 4.4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.22Å; L92-Y96 PolarHBondContact O-N 2.99Å; Y96-L99 CarbonylContact O-C 3.58Å; Y96-L99 PolarHBondContact O-N 3.06Å; Y96-G100 PolarHBondContact O-N 2.79Å; Y96-S101 WeakPolarHBondContact O-CB 3.49Å; Y96-S101 PolarHBondContact O-N 3.23Å; Y96-S101 PolarHBondContact O-OG 3.39Å; Y96-L103 HydrophobicContact CG-CD2 4.14Å; Y96-V159 HydrophobicContact CE2-CG2 4.04Å; Y96-I288 HydrophobicContact CD1-CD1 4.45Å; Y96-I288 HydrophobicContact CD2-CD1 3.95Å; Y96-I288 HydrophobicContact CD2-CG1 4.24Å; Y96-I288 HydrophobicContact CE1-CD1 4.47Å; Y96-I288 HydrophobicContact CE1-CG1 4.2Å; Y96-I288 HydrophobicContact CE1-CG2 4.12Å; Y96-I288 HydrophobicContact CE2-CD1 3.95Å; Y96-I288 HydrophobicContact CE2-CG1 3.72Å; Y96-I288 HydrophobicContact CG-CD1 4.19Å |
| 97 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A93 Y94 H95 L99 G100 L103 C120 L123 A125 | A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 3.46Å; Y94-A97 WeakPolarHBondContact O-CB 3.44Å; Y94-A97 PolarHBondContact O-N 3.01Å; H95-A97 PolarHBondContact O-N 2.79Å; A97-L99 PolarHBondContact O-N 2.98Å; A97-G100 PolarHBondContact O-N 2.92Å; A97-L103 HydrophobicContact CB-CD1 4.11Å; A97-C120 HydrophobicContact CB-CB 3.77Å; A97-L123 HydrophobicContact CB-CB 4.04Å; A97-A125 HydrophobicContact CB-CB 3.71Å; A97-A125 PolarHBondContact O-N 2.93Å |
| 98 | R | 98 | Very high | 96.9 | Very high | 129 Ų | 129 | 22.9 Ų | 22.9 | 49% | 0.487 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -63 | -28.7 | 176.7 | -69.9 | 178.4 | -167.5 | 108.4 | 3.5 | 112.8 | Y94 H95 G100 L123 | Y94-R98 WeakPolarHBondContact O-CG 3.27Å; Y94-R98 PolarHBondContact O-N 2.93Å; H95-R98 PolarHBondContact O-N 2.95Å; R98-G100 PolarHBondContact O-N 2.74Å; R98-L123 HydrophobicContact CG-CB 4.1Å; R98-L123 HydrophobicContact CG-CD2 4.17Å; R98-L123 HydrophobicContact CG-CG 4.5Å |
| 99 | L | 97.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 25 Ų | 25 | 18% | 0.178 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.8 | 177.8 | -65.4 | 163.4 | 0 | 0 | 0 | 112.6 | F69 P71 L74 Q75 H95 Y96 A97 I288 | F69-L99 HydrophobicContact CZ-CD1 4.38Å; P71-L99 HydrophobicContact CB-CD2 3.78Å; L74-L99 CarbonylContact C-O 3.56Å; L74-L99 HydrophobicContact CB-CB 4.05Å; L74-L99 HydrophobicContact CD1-CD1 3.66Å; Q75-L99 WeakPolarHBondContact CA-O 3.42Å; Q75-L99 PolarHBondContact N-O 3.14Å; H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CD1 3.3Å; H95-L99 WeakPolarHBondContact O-CG 3.27Å; H95-L99 PolarHBondContact O-N 3.08Å; Y96-L99 CarbonylContact O-C 3.58Å; Y96-L99 PolarHBondContact O-N 3.06Å; A97-L99 PolarHBondContact O-N 2.98Å; L99-I288 HydrophobicContact CD1-CG2 4.01Å |
| 100 | G | 97.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 12% | 0.124 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 20 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G76 Y96 A97 R98 P126 | G76-G100 PolarHBondContact N-O 3.42Å; Y96-G100 PolarHBondContact O-N 2.79Å; A97-G100 PolarHBondContact O-N 2.92Å; R98-G100 PolarHBondContact O-N 2.74Å; G100-P126 WeakPolarHBondContact O-CD 3.41Å; G100-P126 WeakPolarHBondContact O-CG 3.47Å |
| 101 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -74.9 | 153.7 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | L74 A77 Y96 | L74-S101 WeakPolarHBondContact O-CA 3.49Å; L74-S101 PolarHBondContact O-OG 3.14Å; A77-S101 CarbonylContact O-C 3.56Å; A77-S101 WeakPolarHBondContact O-CA 3.41Å; A77-S101 WeakPolarHBondContact O-CB 3.37Å; Y96-S101 WeakPolarHBondContact O-CB 3.49Å; Y96-S101 PolarHBondContact O-N 3.23Å; Y96-S101 PolarHBondContact O-OG 3.39Å | ||
| 102 | H | 98.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.7 | 166.9 | -57.4 | 149.7 | 0 | 0 | 0 | 110 | G76 A77 V79 K127 L152 | G76-H102 PolarHBondContact O-ND1 2.99Å; A77-H102 PolarHBondContact O-N 3.26Å; V79-H102 PolarHBondContact N-O 3.29Å; H102-K127 WeakPolarHBondContact CA-O 3.49Å; H102-K127 HydrophobicContact CB-CB 4.15Å; H102-L152 HydrophobicContact CB-CD2 3.8Å |
| 103 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.8 | -167 | -65.2 | 171.4 | 0 | 0 | 0 | 112.4 | V79 Y96 A97 L105 C120 A125 K127 V128 F129 | V79-L103 HydrophobicContact CB-CD2 3.76Å; V79-L103 HydrophobicContact CG1-CD2 4.13Å; V79-L103 HydrophobicContact CG2-CD2 4.36Å; Y96-L103 HydrophobicContact CG-CD2 4.14Å; A97-L103 HydrophobicContact CB-CD1 4.11Å; L103-L105 HydrophobicContact CB-CD2 4.13Å; L103-L105 HydrophobicContact CB-CG 4.48Å; L103-C120 HydrophobicContact CD1-CB 4.4Å; L103-A125 HydrophobicContact CD1-CB 4.38Å; L103-K127 PolarHBondContact N-O 2.92Å; L103-V128 HydrophobicContact CB-CG1 4.1Å; L103-V128 HydrophobicContact CB-CG2 4.37Å; L103-V128 HydrophobicContact CD1-CG2 4.33Å; L103-V128 WeakPolarHBondContact O-CA 3.18Å; L103-F129 PolarHBondContact O-N 2.95Å |
| 104 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.8 | 157.4 | 172.2 | 0 | 0 | 0 | 0 | 107.8 | V79 L80 L81 F129 I131 F147 A148 K151 L152 | V79-V104 PolarHBondContact O-N 2.82Å; L80-V104 HydrophobicContact CD1-CB 4.11Å; L80-V104 HydrophobicContact CD1-CG1 3.75Å; L81-V104 PolarHBondContact N-O 2.9Å; V104-F129 WeakPolarHBondContact CA-O 3.43Å; V104-F129 HydrophobicContact CG2-CB 4.15Å; V104-F129 HydrophobicContact CG2-CD2 4.29Å; V104-I131 HydrophobicContact CG1-CG2 4.37Å; V104-F147 HydrophobicContact CG1-CD1 3.9Å; V104-F147 HydrophobicContact CG1-CE1 4.13Å; V104-A148 HydrophobicContact CB-CB 4.06Å; V104-A148 HydrophobicContact CG1-CB 3.95Å; V104-A148 HydrophobicContact CG2-CB 4.1Å; V104-K151 HydrophobicContact CG2-CB 4.32Å; V104-L152 HydrophobicContact CB-CD1 4.25Å; V104-L152 HydrophobicContact CG2-CD1 3.64Å; V104-L152 HydrophobicContact CG2-CD2 4.02Å; V104-L152 HydrophobicContact CG2-CG 3.64Å |
| 105 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.1 | -176.7 | -54.5 | -173.1 | 0 | 0 | 0 | 110.6 | L81 A84 A93 L103 L113 V116 V117 V128 F129 Y130 I131 | L81-L105 HydrophobicContact CB-CD2 3.97Å; L81-L105 HydrophobicContact CD2-CD2 4.02Å; L81-L105 HydrophobicContact CG-CD2 4.38Å; A84-L105 HydrophobicContact CB-CB 3.89Å; A84-L105 HydrophobicContact CB-CD1 4.42Å; A84-L105 HydrophobicContact CB-CD2 4.05Å; A84-L105 HydrophobicContact CB-CG 4.35Å; A93-L105 HydrophobicContact CB-CD1 4Å; A93-L105 HydrophobicContact CB-CD2 3.93Å; L103-L105 HydrophobicContact CB-CD2 4.13Å; L103-L105 HydrophobicContact CB-CG 4.48Å; L105-L113 HydrophobicContact CB-CD2 4.13Å; L105-V116 HydrophobicContact CD1-CG1 3.7Å; L105-V117 HydrophobicContact CD1-CG2 3.96Å; L105-V128 HydrophobicContact CD1-CG1 4.18Å; L105-V128 HydrophobicContact CG-CG1 4.39Å; L105-F129 PolarHBondContact N-O 3.06Å; L105-Y130 CarbonylContact O-C 3.6Å; L105-Y130 WeakPolarHBondContact O-CA 3.39Å; L105-Y130 WeakPolarHBondContact O-CB 3.35Å; L105-I131 PolarHBondContact O-N 3Å |
| 106 | T | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.9 | 174.7 | -172 | 0 | 0 | 0 | 0 | 113.3 | L81 T82 G83 A84 I131 M135 V144 | L81-T106 PolarHBondContact O-N 3.09Å; T82-T106 CarbonylContact C-O 3.58Å; T82-T106 HydrophobicContact CG2-CG2 3.65Å; G83-T106 PolarHBondContact N-O 3.01Å; A84-T106 PolarHBondContact N-O 2.92Å; A84-T106 VanDerWaalsContact N-O 3.14Å; T106-I131 VanDerWaalsContact CA-O 3.3Å; T106-I131 WeakPolarHBondContact CA-O 3.43Å; T106-I131 VanDerWaalsContact CB-O 3.27Å; T106-I131 WeakPolarHBondContact CB-O 3.18Å; T106-I131 PolarHBondContact OG1-O 3.38Å; T106-M135 HydrophobicContact CG2-CE 3.86Å; T106-V144 HydrophobicContact CG2-CG1 3.84Å |
| 107 | A | 96.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 169.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | N85 L113 A132 A133 | N85-A107 HydrophobicContact CB-CB 3.54Å; A107-L113 HydrophobicContact CB-CD1 4.09Å; A107-L113 HydrophobicContact CB-CD2 3.83Å; A107-L113 HydrophobicContact CB-CG 3.96Å; A107-L113 WeakPolarHBondContact O-CD1 3.49Å; A107-A132 VanDerWaalsContact O-CA 3.27Å; A107-A132 WeakPolarHBondContact O-CA 3.37Å; A107-A133 CarbonylContact C-O 3.51Å; A107-A133 PolarHBondContact O-N 3.41Å |
| 108 | H | 92.5 | Very high | 96.9 | Very high | 127 Ų | 127 | 41.8 Ų | 41.8 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -77.6 | -26.9 | -179.3 | 64.2 | -90.8 | 0 | 0 | 0 | 113.6 | E110 A133 D134 | H108-E110 PolarHBondContact O-N 3.11Å; H108-A133 WeakPolarHBondContact CA-O 3.35Å; H108-A133 PolarHBondContact N-O 3.37Å; H108-D134 HydrophobicContact CB-CB 4.49Å |
| 109 | T | 92.8 | Very high | 96.9 | Very high | 46 Ų | 46 | 38 Ų | 38 | 28% | 0.282 | 21% | 0.207 | S | C | . | . | trans | -93 | 101.3 | -177.9 | -34.9 | 0 | 0 | 0 | 0 | 111.7 | A111 L112 L113 | T109-A111 PolarHBondContact O-N 3.19Å; T109-L112 HydrophobicContact CG2-CB 4.33Å; T109-L112 HydrophobicContact CG2-CD1 3.98Å; T109-L112 HydrophobicContact CG2-CG 3.89Å; T109-L112 PolarHBondContact O-N 2.67Å; T109-L113 PolarHBondContact O-N 3.07Å | ||
| 110 | E | 95.5 | Very high | 96.9 | Very high | 90 Ų | 90 | 36.3 Ų | 36.3 | 42% | 0.421 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.6 | -46.8 | -176.7 | -175.4 | 170.5 | -169.2 | 0 | 0 | 113.6 | H108 L112 L113 Q114 Y130 A132 | H108-E110 PolarHBondContact O-N 3.11Å; E110-L112 PolarHBondContact O-N 3.28Å; E110-L113 WeakPolarHBondContact O-CA 3.14Å; E110-L113 WeakPolarHBondContact O-CB 3.34Å; E110-L113 PolarHBondContact O-N 3.07Å; E110-Q114 HydrophobicContact CG-CG 4.28Å; E110-Q114 PolarHBondContact O-N 3.17Å; E110-Q114 PolarHBondContact OE1-NE2 3.37Å; E110-Y130 HydrophobicContact CG-CE2 3.74Å; E110-Y130 VanDerWaalsContact OE1-CE2 3.28Å; E110-Y130 WeakPolarHBondContact OE1-CE2 3.29Å; E110-Y130 PolarHBondContact OE1-OH 3.43Å; E110-A132 HydrophobicContact CB-CB 3.91Å; E110-A132 HydrophobicContact CG-CB 4.35Å |
| 111 | A | 95.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 43 Ų | 43 | 59% | 0.587 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.1 | -36.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | T109 K115 | T109-A111 PolarHBondContact O-N 3.19Å; A111-K115 PolarHBondContact O-N 3.43Å |
| 112 | L | 93.2 | Very high | 96.9 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.7 | -38.9 | 175.5 | -66.8 | -179.7 | 0 | 0 | 0 | 111.6 | N85 T109 E110 K115 V116 | N85-L112 HydrophobicContact CB-CB 3.81Å; N85-L112 HydrophobicContact CB-CD1 4.29Å; T109-L112 HydrophobicContact CG2-CB 4.33Å; T109-L112 HydrophobicContact CG2-CD1 3.98Å; T109-L112 HydrophobicContact CG2-CG 3.89Å; T109-L112 PolarHBondContact O-N 2.67Å; E110-L112 PolarHBondContact O-N 3.28Å; L112-K115 WeakPolarHBondContact O-CB 3.47Å; L112-K115 PolarHBondContact O-N 3.12Å; L112-V116 WeakPolarHBondContact O-CG2 3.35Å; L112-V116 PolarHBondContact O-N 3.29Å; L112-V116 VanDerWaalsContact O-N 3.1Å |
| 113 | L | 95.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 174.9 | -74.7 | 172.8 | 0 | 0 | 0 | 111.9 | A84 N85 L105 A107 T109 E110 K115 V116 V117 Y130 A132 | A84-L113 HydrophobicContact CB-CD2 4.15Å; N85-L113 HydrophobicContact CB-CD2 4.49Å; L105-L113 HydrophobicContact CB-CD2 4.13Å; A107-L113 HydrophobicContact CB-CD1 4.09Å; A107-L113 HydrophobicContact CB-CD2 3.83Å; A107-L113 HydrophobicContact CB-CG 3.96Å; A107-L113 WeakPolarHBondContact O-CD1 3.49Å; T109-L113 PolarHBondContact O-N 3.07Å; E110-L113 WeakPolarHBondContact O-CA 3.14Å; E110-L113 WeakPolarHBondContact O-CB 3.34Å; E110-L113 PolarHBondContact O-N 3.07Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 2.98Å; L113-V116 PolarHBondContact O-N 2.84Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.3Å; L113-Y130 HydrophobicContact CB-CD2 4.24Å; L113-Y130 HydrophobicContact CB-CG 4.39Å; L113-Y130 HydrophobicContact CD1-CD2 4.27Å; L113-A132 HydrophobicContact CD1-CB 4.41Å |
| 114 | Q | 97.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 54.5 Ų | 54.5 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.2 | -41.8 | 178.8 | -72.8 | 179 | -9.8 | 0 | 0 | 111.7 | E110 V117 G118 Y130 | E110-Q114 HydrophobicContact CG-CG 4.28Å; E110-Q114 PolarHBondContact O-N 3.17Å; E110-Q114 PolarHBondContact OE1-NE2 3.37Å; Q114-V117 PolarHBondContact O-N 2.81Å; Q114-G118 PolarHBondContact O-N 2.79Å; Q114-Y130 HydrophobicContact CG-CE1 3.91Å; Q114-Y130 HydrophobicContact CG-CE2 4.27Å; Q114-Y130 PolarHBondContact NE2-OH 3.1Å |
| 115 | K | 96.9 | Very high | 96.5 | Very high | 129 Ų | 129 | 55 Ų | 55 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.7 | -48.8 | 173.6 | -178.3 | -174.8 | 174.8 | -172 | 0 | 111.7 | A111 L112 L113 V117 G118 N119 | A111-K115 PolarHBondContact O-N 3.43Å; L112-K115 WeakPolarHBondContact O-CB 3.47Å; L112-K115 PolarHBondContact O-N 3.12Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 2.98Å; K115-V117 VanDerWaalsContact C-N 3.35Å; K115-V117 PolarHBondContact O-N 3.15Å; K115-G118 PolarHBondContact O-N 2.62Å; K115-N119 PolarHBondContact O-N 3.14Å |
| 116 | V | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | -179.9 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | E90 A93 Y94 L105 L112 L113 G118 N119 C120 | E90-V116 HydrophobicContact CB-CG2 4.35Å; E90-V116 HydrophobicContact CG-CG2 3.99Å; A93-V116 HydrophobicContact CB-CG1 3.77Å; Y94-V116 HydrophobicContact CD1-CG1 4.49Å; Y94-V116 HydrophobicContact CE1-CB 4.43Å; Y94-V116 HydrophobicContact CE1-CG1 3.83Å; L105-V116 HydrophobicContact CD1-CG1 3.7Å; L112-V116 WeakPolarHBondContact O-CG2 3.35Å; L112-V116 PolarHBondContact O-N 3.29Å; L112-V116 VanDerWaalsContact O-N 3.1Å; L113-V116 PolarHBondContact O-N 2.84Å; V116-G118 PolarHBondContact O-N 3.4Å; V116-N119 PolarHBondContact O-N 2.98Å; V116-C120 PolarHBondContact O-N 3.07Å; V116-C120 PolarHBondContact O-SG 3.3Å; V116-C120 VanDerWaalsContact O-SG 3.32Å |
| 117 | V | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.5 | 170 | 0 | 0 | 0 | 0 | 111.7 | L105 L113 Q114 K115 N119 C120 R121 V128 Y130 | L105-V117 HydrophobicContact CD1-CG2 3.96Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.3Å; Q114-V117 PolarHBondContact O-N 2.81Å; K115-V117 VanDerWaalsContact C-N 3.35Å; K115-V117 PolarHBondContact O-N 3.15Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 2.95Å; V117-C120 PolarHBondContact O-N 2.86Å; V117-R121 WeakPolarHBondContact O-CG 3.31Å; V117-R121 PolarHBondContact O-N 2.96Å; V117-V128 HydrophobicContact CB-CG1 4.15Å; V117-V128 HydrophobicContact CG1-CB 4.21Å; V117-V128 HydrophobicContact CG1-CG1 3.84Å; V117-V128 HydrophobicContact CG2-CG1 3.88Å; V117-Y130 HydrophobicContact CG2-CD1 3.87Å; V117-Y130 HydrophobicContact CG2-CG 4.17Å |
| 118 | G | 97.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q114 K115 V116 K122 | Q114-G118 PolarHBondContact O-N 2.79Å; K115-G118 PolarHBondContact O-N 2.62Å; V116-G118 PolarHBondContact O-N 3.4Å; G118-K122 WeakPolarHBondContact O-CG 3.22Å; G118-K122 PolarHBondContact O-N 3.03Å |
| 119 | N | 97.9 | Very high | 96.7 | Very high | 48 Ų | 48 | 60.7 Ų | 60.7 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.2 | -42.3 | 175.9 | -73.1 | -18.2 | 0 | 0 | 0 | 112.6 | Y94 K115 V116 V117 R121 K122 L123 | Y94-N119 HydrophobicContact CD1-CB 4.27Å; Y94-N119 HydrophobicContact CE1-CB 3.44Å; Y94-N119 VanDerWaalsContact CE1-CB 3.44Å; Y94-N119 PolarHBondContact OH-ND2 3.47Å; K115-N119 PolarHBondContact O-N 3.14Å; V116-N119 PolarHBondContact O-N 2.98Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 2.95Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 3.26Å; N119-K122 WeakPolarHBondContact O-CB 3.11Å; N119-K122 PolarHBondContact O-N 2.93Å; N119-K122 VanDerWaalsContact O-N 3.14Å; N119-L123 WeakPolarHBondContact O-CB 3.49Å; N119-L123 VanDerWaalsContact O-CG 3.26Å; N119-L123 WeakPolarHBondContact O-CG 3.32Å; N119-L123 PolarHBondContact O-N 3.26Å |
| 120 | C | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.9 | -40.4 | 175.2 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | A93 A97 L103 V116 V117 L123 G124 A125 V128 | A93-C120 PolarHBondContact O-SG 3.37Å; A93-C120 VanDerWaalsContact O-SG 3.4Å; A97-C120 HydrophobicContact CB-CB 3.77Å; L103-C120 HydrophobicContact CD1-CB 4.4Å; V116-C120 PolarHBondContact O-N 3.07Å; V116-C120 PolarHBondContact O-SG 3.3Å; V116-C120 VanDerWaalsContact O-SG 3.32Å; V117-C120 PolarHBondContact O-N 2.86Å; C120-L123 PolarHBondContact O-N 3.33Å; C120-G124 PolarHBondContact O-N 3.36Å; C120-A125 HydrophobicContact CB-CB 4.34Å; C120-A125 WeakPolarHBondContact O-CB 3.47Å; C120-A125 PolarHBondContact O-N 2.78Å; C120-A125 VanDerWaalsContact O-N 3.15Å; C120-V128 HydrophobicContact CB-CG1 4.09Å; C120-V128 HydrophobicContact CB-CG2 3.88Å |
| 121 | R | 97.9 | Very high | 97.1 | Very high | 152 Ų | 152 | 58.9 Ų | 58.9 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 174.8 | -70.1 | 174.6 | -175.7 | 169.3 | 2.2 | 111.8 | V117 N119 L123 G124 V128 | V117-R121 WeakPolarHBondContact O-CG 3.31Å; V117-R121 PolarHBondContact O-N 2.96Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 3.26Å; R121-L123 PolarHBondContact O-N 3.37Å; R121-G124 PolarHBondContact O-N 3.14Å; R121-G124 VanDerWaalsContact O-N 3.15Å; R121-V128 HydrophobicContact CG-CB 4.43Å; R121-V128 HydrophobicContact CG-CG2 4.35Å; R121-V128 PolarHBondContact NH2-O 3.47Å |
| 122 | K | 98.1 | Very high | 97.3 | Very high | 174 Ų | 174 | 57.5 Ų | 57.5 | 76% | 0.757 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.2 | -29.1 | 175.4 | -68.7 | 173.8 | -176.8 | 178.7 | 0 | 113 | G118 N119 G124 | G118-K122 WeakPolarHBondContact O-CG 3.22Å; G118-K122 PolarHBondContact O-N 3.03Å; N119-K122 WeakPolarHBondContact O-CB 3.11Å; N119-K122 PolarHBondContact O-N 2.93Å; N119-K122 VanDerWaalsContact O-N 3.14Å; K122-G124 VanDerWaalsContact C-N 3.29Å |
| 123 | L | 97.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 55 Ų | 55 | 29% | 0.293 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.6 | 178.8 | -69.4 | 173.2 | 0 | 0 | 0 | 114 | Y94 A97 R98 N119 C120 R121 | Y94-L123 HydrophobicContact CD1-CD1 3.73Å; Y94-L123 HydrophobicContact CG-CD1 3.74Å; A97-L123 HydrophobicContact CB-CB 4.04Å; R98-L123 HydrophobicContact CG-CB 4.1Å; R98-L123 HydrophobicContact CG-CD2 4.17Å; R98-L123 HydrophobicContact CG-CG 4.5Å; N119-L123 WeakPolarHBondContact O-CB 3.49Å; N119-L123 VanDerWaalsContact O-CG 3.26Å; N119-L123 WeakPolarHBondContact O-CG 3.32Å; N119-L123 PolarHBondContact O-N 3.26Å; C120-L123 PolarHBondContact O-N 3.33Å; R121-L123 PolarHBondContact O-N 3.37Å |
| 124 | G | 94 | Very high | 97.4 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | 12.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | C120 R121 K122 P126 | C120-G124 PolarHBondContact O-N 3.36Å; R121-G124 PolarHBondContact O-N 3.14Å; R121-G124 VanDerWaalsContact O-N 3.15Å; K122-G124 VanDerWaalsContact C-N 3.29Å; G124-P126 WeakPolarHBondContact O-CD 3.28Å |
| 125 | A | 96.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | trans | -64.1 | 124 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A97 L103 C120 K127 V128 | A97-A125 HydrophobicContact CB-CB 3.71Å; A97-A125 PolarHBondContact O-N 2.93Å; L103-A125 HydrophobicContact CD1-CB 4.38Å; C120-A125 HydrophobicContact CB-CB 4.34Å; C120-A125 WeakPolarHBondContact O-CB 3.47Å; C120-A125 PolarHBondContact O-N 2.78Å; C120-A125 VanDerWaalsContact O-N 3.15Å; A125-K127 PolarHBondContact O-N 3.32Å; A125-V128 HydrophobicContact CB-CG2 3.17Å | ||
| 126 | P | 96.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -67.5 | -36 | -176.1 | -18.9 | 29.7 | 0 | 0 | 0 | 113.2 | G100 G124 | G100-P126 WeakPolarHBondContact O-CD 3.41Å; G100-P126 WeakPolarHBondContact O-CG 3.47Å; G124-P126 WeakPolarHBondContact O-CD 3.28Å |
| 127 | K | 97.9 | Very high | 97.1 | Very high | 104 Ų | 104 | 51.9 Ų | 51.9 | 45% | 0.452 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.4 | 178 | -63 | -178.6 | -177.4 | 178.5 | 0 | 109.4 | H102 L103 A125 F129 | H102-K127 WeakPolarHBondContact CA-O 3.49Å; H102-K127 HydrophobicContact CB-CB 4.15Å; L103-K127 PolarHBondContact N-O 2.92Å; A125-K127 PolarHBondContact O-N 3.32Å; K127-F129 HydrophobicContact CB-CE2 3.99Å; K127-F129 HydrophobicContact CB-CZ 4.5Å |
| 128 | V | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 118.6 | 176.5 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | L103 L105 V117 C120 R121 A125 | L103-V128 HydrophobicContact CB-CG1 4.1Å; L103-V128 HydrophobicContact CB-CG2 4.37Å; L103-V128 HydrophobicContact CD1-CG2 4.33Å; L103-V128 WeakPolarHBondContact O-CA 3.18Å; L105-V128 HydrophobicContact CD1-CG1 4.18Å; L105-V128 HydrophobicContact CG-CG1 4.39Å; V117-V128 HydrophobicContact CB-CG1 4.15Å; V117-V128 HydrophobicContact CG1-CB 4.21Å; V117-V128 HydrophobicContact CG1-CG1 3.84Å; V117-V128 HydrophobicContact CG2-CG1 3.88Å; C120-V128 HydrophobicContact CB-CG1 4.09Å; C120-V128 HydrophobicContact CB-CG2 3.88Å; R121-V128 HydrophobicContact CG-CB 4.43Å; R121-V128 HydrophobicContact CG-CG2 4.35Å; R121-V128 PolarHBondContact NH2-O 3.47Å; A125-V128 HydrophobicContact CB-CG2 3.17Å |
| 129 | F | 98.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 163 | 175.4 | -52 | -77.2 | 0 | 0 | 0 | 110 | L103 V104 L105 K127 F147 K151 L152 | L103-F129 PolarHBondContact O-N 2.95Å; V104-F129 WeakPolarHBondContact CA-O 3.43Å; V104-F129 HydrophobicContact CG2-CB 4.15Å; V104-F129 HydrophobicContact CG2-CD2 4.29Å; L105-F129 PolarHBondContact N-O 3.06Å; K127-F129 HydrophobicContact CB-CE2 3.99Å; K127-F129 HydrophobicContact CB-CZ 4.5Å; F129-F147 HydrophobicContact CB-CE1 4.08Å; F129-F147 HydrophobicContact CB-CZ 4.42Å; F129-K151 HydrophobicContact CD1-CD 4.25Å; F129-K151 HydrophobicContact CD2-CB 3.76Å; F129-K151 HydrophobicContact CD2-CG 4.36Å; F129-K151 HydrophobicContact CE1-CD 4.35Å; F129-K151 HydrophobicContact CE2-CB 4.01Å; F129-K151 HydrophobicContact CG-CB 4.14Å; F129-K151 HydrophobicContact CG-CD 4.43Å; F129-K151 HydrophobicContact CG-CG 4.22Å; F129-L152 HydrophobicContact CD2-CD2 4.18Å; F129-L152 HydrophobicContact CE2-CD2 4.25Å |
| 130 | Y | 98.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156 | 172.6 | 72.9 | -88 | 0 | 0 | 0 | 111.4 | L105 E110 L113 Q114 V117 F147 | L105-Y130 CarbonylContact O-C 3.6Å; L105-Y130 WeakPolarHBondContact O-CA 3.39Å; L105-Y130 WeakPolarHBondContact O-CB 3.35Å; E110-Y130 HydrophobicContact CG-CE2 3.74Å; E110-Y130 VanDerWaalsContact OE1-CE2 3.28Å; E110-Y130 WeakPolarHBondContact OE1-CE2 3.29Å; E110-Y130 PolarHBondContact OE1-OH 3.43Å; L113-Y130 HydrophobicContact CB-CD2 4.24Å; L113-Y130 HydrophobicContact CB-CG 4.39Å; L113-Y130 HydrophobicContact CD1-CD2 4.27Å; Q114-Y130 HydrophobicContact CG-CE1 3.91Å; Q114-Y130 HydrophobicContact CG-CE2 4.27Å; Q114-Y130 PolarHBondContact NE2-OH 3.1Å; V117-Y130 HydrophobicContact CG2-CD1 3.87Å; V117-Y130 HydrophobicContact CG2-CG 4.17Å; Y130-F147 WeakPolarHBondContact O-CZ 3.37Å |
| 131 | I | 98.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 121.7 | 169.1 | 178.9 | 168.9 | 0 | 0 | 0 | 108.5 | V104 L105 T106 V144 F147 | V104-I131 HydrophobicContact CG1-CG2 4.37Å; L105-I131 PolarHBondContact O-N 3Å; T106-I131 VanDerWaalsContact CA-O 3.3Å; T106-I131 WeakPolarHBondContact CA-O 3.43Å; T106-I131 VanDerWaalsContact CB-O 3.27Å; T106-I131 WeakPolarHBondContact CB-O 3.18Å; T106-I131 PolarHBondContact OG1-O 3.38Å; I131-V144 HydrophobicContact CD1-CG2 4.36Å; I131-V144 HydrophobicContact CG2-CG1 4.39Å; I131-V144 HydrophobicContact CG2-CG2 4.03Å; I131-F147 HydrophobicContact CB-CD1 3.9Å; I131-F147 HydrophobicContact CB-CE1 4.06Å; I131-F147 HydrophobicContact CB-CG 4.22Å; I131-F147 HydrophobicContact CD1-CB 3.9Å; I131-F147 HydrophobicContact CD1-CD2 4.3Å; I131-F147 HydrophobicContact CD1-CG 4Å; I131-F147 HydrophobicContact CG2-CD1 3.83Å; I131-F147 HydrophobicContact CG2-CE1 4.3Å; I131-F147 HydrophobicContact CG2-CG 4.36Å |
| 132 | A | 98 | Very high | 96.4 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A107 E110 L113 | A107-A132 VanDerWaalsContact O-CA 3.27Å; A107-A132 WeakPolarHBondContact O-CA 3.37Å; E110-A132 HydrophobicContact CB-CB 3.91Å; E110-A132 HydrophobicContact CG-CB 4.35Å; L113-A132 HydrophobicContact CD1-CB 4.41Å |
| 133 | A | 96.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | trans | -153.2 | 140.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A107 H108 M135 A140 V144 | A107-A133 CarbonylContact C-O 3.51Å; A107-A133 PolarHBondContact O-N 3.41Å; H108-A133 WeakPolarHBondContact CA-O 3.35Å; H108-A133 PolarHBondContact N-O 3.37Å; A133-M135 HydrophobicContact CB-CE 4.4Å; A133-A140 HydrophobicContact CB-CB 4.19Å; A133-V144 HydrophobicContact CB-CG2 3.52Å | ||
| 134 | D | 95.6 | Very high | 96.5 | Very high | 81 Ų | 81 | 48 Ų | 48 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | trans | -95.3 | 114.6 | 171.3 | -172.6 | -1.3 | 0 | 0 | 0 | 110.1 | H108 A136 S137 A140 | H108-D134 HydrophobicContact CB-CB 4.49Å; D134-A136 PolarHBondContact O-N 2.61Å; D134-A136 VanDerWaalsContact O-N 3.14Å; D134-A136 WeakPolarHBondContact OD1-CB 3.21Å; D134-A136 PolarHBondContact OD1-N 2.82Å; D134-S137 WeakPolarHBondContact O-CB 3.34Å; D134-S137 PolarHBondContact O-N 3.23Å; D134-A140 WeakPolarHBondContact O-CB 3.39Å | ||
| 135 | M | 96.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.044 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -3.1 | 179.6 | -63.4 | -69.6 | 161.8 | 0 | 0 | 113.1 | T106 A133 S137 P141 V144 H162 V184 L192 | T106-M135 HydrophobicContact CG2-CE 3.86Å; A133-M135 HydrophobicContact CB-CE 4.4Å; M135-S137 VanDerWaalsContact C-N 3.32Å; M135-P141 HydrophobicContact SD-CG 4.05Å; M135-V144 HydrophobicContact CE-CB 4.35Å; M135-V144 HydrophobicContact CE-CG1 4.25Å; M135-V144 HydrophobicContact CE-CG2 3.85Å; M135-H162 WeakPolarHBondContact CB-NE2 3.45Å; M135-H162 WeakPolarHBondContact CG-NE2 3.48Å; M135-V184 HydrophobicContact CB-CG1 4.25Å; M135-L192 HydrophobicContact SD-CD1 4.16Å |
| 136 | A | 93.9 | Very high | 96.8 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D134 W180 V184 | D134-A136 PolarHBondContact O-N 2.61Å; D134-A136 VanDerWaalsContact O-N 3.14Å; D134-A136 WeakPolarHBondContact OD1-CB 3.21Å; D134-A136 PolarHBondContact OD1-N 2.82Å; A136-W180 HydrophobicContact CB-CZ2 4.17Å; A136-V184 HydrophobicContact CB-CG2 3.66Å |
| 137 | S | 94.2 | Very high | 96.9 | Very high | 50 Ų | 50 | 47 Ų | 47 | 35% | 0.35 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -74.8 | 130.5 | 175.7 | -153.2 | 0 | 0 | 0 | 0 | 110.1 | D134 M135 E139 A140 P141 | D134-S137 WeakPolarHBondContact O-CB 3.34Å; D134-S137 PolarHBondContact O-N 3.23Å; M135-S137 VanDerWaalsContact C-N 3.32Å; S137-E139 PolarHBondContact O-N 2.93Å; S137-E139 PolarHBondContact OG-OE2 2.96Å; S137-A140 PolarHBondContact O-N 3.14Å; S137-P141 WeakPolarHBondContact O-CD 3.33Å |
| 138 | P | 89.5 | Confident | 97 | Very high | 72 Ų | 72 | 42 Ų | 42 | 47% | 0.468 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -59.1 | -29.8 | 178.8 | -25.7 | 34.7 | 0 | 0 | 0 | 115 | Q191 | P138-Q191 PolarHBondContact O-NE2 3.22Å; P138-Q191 VanDerWaalsContact O-NE2 3.09Å |
| 139 | E | 93.6 | Very high | 97 | Very high | 119 Ų | 119 | 43.1 Ų | 43.1 | 56% | 0.556 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -91.1 | -23.2 | -173.1 | -50.5 | 73.2 | -159.3 | 0 | 0 | 112.5 | S137 E142 S143 | S137-E139 PolarHBondContact O-N 2.93Å; S137-E139 PolarHBondContact OG-OE2 2.96Å; E139-E142 PolarHBondContact O-N 3.24Å; E139-S143 PolarHBondContact O-N 3.07Å |
| 140 | A | 96.7 | Very high | 97 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -46.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A133 D134 S137 E142 S143 V144 | A133-A140 HydrophobicContact CB-CB 4.19Å; D134-A140 WeakPolarHBondContact O-CB 3.39Å; S137-A140 PolarHBondContact O-N 3.14Å; A140-E142 VanDerWaalsContact C-N 3.28Å; A140-E142 PolarHBondContact O-N 2.8Å; A140-S143 PolarHBondContact O-N 3.31Å; A140-S143 PolarHBondContact O-OG 2.91Å; A140-V144 WeakPolarHBondContact O-CB 3.33Å; A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.19Å; A140-V144 PolarHBondContact O-N 2.87Å |
| 141 | P | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -52.1 | -42.9 | 176.7 | -35.4 | 43.2 | 0 | 0 | 0 | 114.6 | M135 S137 V144 V145 Q191 L192 | M135-P141 HydrophobicContact SD-CG 4.05Å; S137-P141 WeakPolarHBondContact O-CD 3.33Å; P141-V144 PolarHBondContact O-N 3.28Å; P141-V145 WeakPolarHBondContact O-CG2 3.27Å; P141-V145 PolarHBondContact O-N 2.84Å; P141-V145 VanDerWaalsContact O-N 3.14Å; P141-Q191 HydrophobicContact CB-CB 3.63Å; P141-Q191 HydrophobicContact CG-CB 4.07Å; P141-L192 HydrophobicContact CB-CD2 3.92Å; P141-L192 HydrophobicContact CB-CG 3.92Å; P141-L192 WeakPolarHBondContact O-CD2 3.42Å |
| 142 | E | 97.5 | Very high | 97 | Very high | 123 Ų | 123 | 46.2 Ų | 46.2 | 58% | 0.575 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.7 | -49.1 | -178.7 | -177.4 | 171.7 | -173 | 0 | 0 | 111.1 | E139 A140 V144 V145 Q146 | E139-E142 PolarHBondContact O-N 3.24Å; A140-E142 VanDerWaalsContact C-N 3.28Å; A140-E142 PolarHBondContact O-N 2.8Å; E142-V144 VanDerWaalsContact C-N 3.25Å; E142-V144 PolarHBondContact O-N 3.06Å; E142-V145 PolarHBondContact O-N 3.01Å; E142-Q146 WeakPolarHBondContact O-CB 3.45Å; E142-Q146 PolarHBondContact O-N 2.71Å |
| 143 | S | 98.2 | Very high | 97 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -37 | 177.4 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | E139 A140 F147 | E139-S143 PolarHBondContact O-N 3.07Å; A140-S143 PolarHBondContact O-N 3.31Å; A140-S143 PolarHBondContact O-OG 2.91Å; S143-F147 VanDerWaalsContact O-CB 3.24Å; S143-F147 WeakPolarHBondContact O-CB 3.5Å; S143-F147 PolarHBondContact O-N 3.36Å |
| 144 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.9 | -45.4 | -179.7 | 164 | 0 | 0 | 0 | 0 | 111.3 | L80 T106 I131 A133 M135 A140 P141 E142 A148 L192 | L80-V144 HydrophobicContact CD1-CG1 3.92Å; L80-V144 HydrophobicContact CD2-CG1 4.1Å; T106-V144 HydrophobicContact CG2-CG1 3.84Å; I131-V144 HydrophobicContact CD1-CG2 4.36Å; I131-V144 HydrophobicContact CG2-CG1 4.39Å; I131-V144 HydrophobicContact CG2-CG2 4.03Å; A133-V144 HydrophobicContact CB-CG2 3.52Å; M135-V144 HydrophobicContact CE-CB 4.35Å; M135-V144 HydrophobicContact CE-CG1 4.25Å; M135-V144 HydrophobicContact CE-CG2 3.85Å; A140-V144 WeakPolarHBondContact O-CB 3.33Å; A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.19Å; A140-V144 PolarHBondContact O-N 2.87Å; P141-V144 PolarHBondContact O-N 3.28Å; E142-V144 VanDerWaalsContact C-N 3.25Å; E142-V144 PolarHBondContact O-N 3.06Å; V144-A148 WeakPolarHBondContact O-CB 3.2Å; V144-A148 PolarHBondContact O-N 2.84Å; V144-L192 HydrophobicContact CB-CD2 4.4Å; V144-L192 HydrophobicContact CG1-CD2 4.14Å |
| 145 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | L80 P141 E142 F147 A148 L149 L155 L192 R195 A196 | L80-V145 HydrophobicContact CD2-CG2 3.99Å; P141-V145 WeakPolarHBondContact O-CG2 3.27Å; P141-V145 PolarHBondContact O-N 2.84Å; P141-V145 VanDerWaalsContact O-N 3.14Å; E142-V145 PolarHBondContact O-N 3.01Å; V145-F147 PolarHBondContact O-N 3.04Å; V145-A148 WeakPolarHBondContact O-CB 3.38Å; V145-A148 PolarHBondContact O-N 2.94Å; V145-A148 VanDerWaalsContact O-N 3.1Å; V145-L149 HydrophobicContact CG1-CD1 3.99Å; V145-L149 HydrophobicContact CG1-CG 4.19Å; V145-L149 VanDerWaalsContact O-CG 3.32Å; V145-L149 WeakPolarHBondContact O-CG 3.42Å; V145-L149 PolarHBondContact O-N 3.3Å; V145-L155 HydrophobicContact CG1-CD1 4.43Å; V145-L192 HydrophobicContact CG2-CB 4.49Å; V145-L192 HydrophobicContact CG2-CD2 3.68Å; V145-R195 HydrophobicContact CB-CB 4.11Å; V145-R195 HydrophobicContact CB-CG 3.67Å; V145-R195 HydrophobicContact CG1-CB 4.08Å; V145-R195 HydrophobicContact CG1-CG 3.58Å; V145-R195 HydrophobicContact CG2-CB 4.22Å; V145-R195 HydrophobicContact CG2-CG 4.32Å; V145-A196 HydrophobicContact CG1-CB 3.95Å; V145-A196 HydrophobicContact CG2-CB 4.35Å |
| 146 | Q | 98.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 44 Ų | 44 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -49.7 | 177.4 | -172.7 | 60.3 | 51.8 | 0 | 0 | 111.3 | E142 A148 L149 D150 | E142-Q146 WeakPolarHBondContact O-CB 3.45Å; E142-Q146 PolarHBondContact O-N 2.71Å; Q146-A148 PolarHBondContact O-N 2.76Å; Q146-L149 PolarHBondContact O-N 3.49Å; Q146-L149 VanDerWaalsContact O-N 3.15Å; Q146-D150 PolarHBondContact NE2-OD1 3.28Å; Q146-D150 PolarHBondContact O-N 3.04Å |
| 147 | F | 98.8 | Very high | 97.5 | Very high | 53 Ų | 53 | 44 Ų | 44 | 23% | 0.232 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.5 | -40.5 | 175.9 | -179.6 | -91.4 | 0 | 0 | 0 | 112.1 | V104 F129 Y130 I131 S143 V145 D150 K151 | V104-F147 HydrophobicContact CG1-CD1 3.9Å; V104-F147 HydrophobicContact CG1-CE1 4.13Å; F129-F147 HydrophobicContact CB-CE1 4.08Å; F129-F147 HydrophobicContact CB-CZ 4.42Å; Y130-F147 WeakPolarHBondContact O-CZ 3.37Å; I131-F147 HydrophobicContact CB-CD1 3.9Å; I131-F147 HydrophobicContact CB-CE1 4.06Å; I131-F147 HydrophobicContact CB-CG 4.22Å; I131-F147 HydrophobicContact CD1-CB 3.9Å; I131-F147 HydrophobicContact CD1-CD2 4.3Å; I131-F147 HydrophobicContact CD1-CG 4Å; I131-F147 HydrophobicContact CG2-CD1 3.83Å; I131-F147 HydrophobicContact CG2-CE1 4.3Å; I131-F147 HydrophobicContact CG2-CG 4.36Å; S143-F147 VanDerWaalsContact O-CB 3.24Å; S143-F147 WeakPolarHBondContact O-CB 3.5Å; S143-F147 PolarHBondContact O-N 3.36Å; V145-F147 PolarHBondContact O-N 3.04Å; F147-D150 PolarHBondContact O-N 2.85Å; F147-K151 HydrophobicContact CD1-CG 4.16Å; F147-K151 HydrophobicContact CD2-CG 4.46Å; F147-K151 HydrophobicContact CE1-CG 3.83Å; F147-K151 HydrophobicContact CE2-CG 4.16Å; F147-K151 HydrophobicContact CG-CG 4.47Å; F147-K151 HydrophobicContact CZ-CD 4.38Å; F147-K151 HydrophobicContact CZ-CG 3.84Å; F147-K151 WeakPolarHBondContact O-CB 3.5Å; F147-K151 VanDerWaalsContact O-CG 3.26Å; F147-K151 WeakPolarHBondContact O-CG 3.32Å; F147-K151 PolarHBondContact O-N 3.13Å |
| 148 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L80 V104 V144 V145 Q146 D150 K151 L152 L155 | L80-A148 HydrophobicContact CB-CB 4.23Å; L80-A148 HydrophobicContact CD1-CB 4.09Å; L80-A148 HydrophobicContact CD2-CB 3.89Å; L80-A148 HydrophobicContact CG-CB 4.29Å; V104-A148 HydrophobicContact CB-CB 4.06Å; V104-A148 HydrophobicContact CG1-CB 3.95Å; V104-A148 HydrophobicContact CG2-CB 4.1Å; V144-A148 WeakPolarHBondContact O-CB 3.2Å; V144-A148 PolarHBondContact O-N 2.84Å; V145-A148 WeakPolarHBondContact O-CB 3.38Å; V145-A148 PolarHBondContact O-N 2.94Å; V145-A148 VanDerWaalsContact O-N 3.1Å; Q146-A148 PolarHBondContact O-N 2.76Å; A148-D150 VanDerWaalsContact C-N 3.35Å; A148-K151 PolarHBondContact O-N 3.35Å; A148-L152 VanDerWaalsContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 WeakPolarHBondContact O-CG 3.48Å; A148-L152 PolarHBondContact O-N 3.43Å; A148-L155 HydrophobicContact CB-CD2 4.2Å |
| 149 | L | 98.7 | Very high | 98.2 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 176 | -66.1 | 173.4 | 0 | 0 | 0 | 111 | V145 Q146 K151 G153 G154 L155 | V145-L149 HydrophobicContact CG1-CD1 3.99Å; V145-L149 HydrophobicContact CG1-CG 4.19Å; V145-L149 VanDerWaalsContact O-CG 3.32Å; V145-L149 WeakPolarHBondContact O-CG 3.42Å; V145-L149 PolarHBondContact O-N 3.3Å; Q146-L149 PolarHBondContact O-N 3.49Å; Q146-L149 VanDerWaalsContact O-N 3.15Å; L149-K151 PolarHBondContact O-N 3Å; L149-G153 VanDerWaalsContact O-CA 3.24Å; L149-G153 WeakPolarHBondContact O-CA 3.38Å; L149-G153 PolarHBondContact O-N 2.72Å; L149-G154 PolarHBondContact O-N 2.89Å; L149-L155 HydrophobicContact CD2-CD1 4.12Å; L149-L155 HydrophobicContact CD2-CG 3.98Å |
| 150 | D | 98.6 | Very high | 98.4 | Very high | 111 Ų | 111 | 32.6 Ų | 32.6 | 59% | 0.594 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -66 | -38.9 | -179.3 | -62.3 | -19.9 | 0 | 0 | 0 | 112.3 | Q146 F147 A148 | Q146-D150 PolarHBondContact NE2-OD1 3.28Å; Q146-D150 PolarHBondContact O-N 3.04Å; F147-D150 PolarHBondContact O-N 2.85Å; A148-D150 VanDerWaalsContact C-N 3.35Å |
| 151 | K | 98.5 | Very high | 98.4 | Very high | 97 Ų | 97 | 32.5 Ų | 32.5 | 42% | 0.422 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -81.1 | -33.1 | -177.8 | -66.7 | -60.9 | 178.7 | -168.9 | 0 | 113.7 | V104 F129 F147 A148 L149 | V104-K151 HydrophobicContact CG2-CB 4.32Å; F129-K151 HydrophobicContact CD1-CD 4.25Å; F129-K151 HydrophobicContact CD2-CB 3.76Å; F129-K151 HydrophobicContact CD2-CG 4.36Å; F129-K151 HydrophobicContact CE1-CD 4.35Å; F129-K151 HydrophobicContact CE2-CB 4.01Å; F129-K151 HydrophobicContact CG-CB 4.14Å; F129-K151 HydrophobicContact CG-CD 4.43Å; F129-K151 HydrophobicContact CG-CG 4.22Å; F147-K151 HydrophobicContact CD1-CG 4.16Å; F147-K151 HydrophobicContact CD2-CG 4.46Å; F147-K151 HydrophobicContact CE1-CG 3.83Å; F147-K151 HydrophobicContact CE2-CG 4.16Å; F147-K151 HydrophobicContact CG-CG 4.47Å; F147-K151 HydrophobicContact CZ-CD 4.38Å; F147-K151 HydrophobicContact CZ-CG 3.84Å; F147-K151 WeakPolarHBondContact O-CB 3.5Å; F147-K151 VanDerWaalsContact O-CG 3.26Å; F147-K151 WeakPolarHBondContact O-CG 3.32Å; F147-K151 PolarHBondContact O-N 3.13Å; A148-K151 PolarHBondContact O-N 3.35Å; L149-K151 PolarHBondContact O-N 3Å |
| 152 | L | 98.4 | Very high | 98.3 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 10% | 0.099 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -102.5 | -15.1 | -174.6 | -58.4 | -177.5 | 0 | 0 | 0 | 113.4 | R78 H102 V104 F129 A148 G154 L155 | R78-L152 HydrophobicContact CB-CB 4.09Å; R78-L152 HydrophobicContact CB-CD1 4.02Å; R78-L152 VanDerWaalsContact CD-O 3.23Å; R78-L152 WeakPolarHBondContact CD-O 3.34Å; R78-L152 HydrophobicContact CG-CB 4.12Å; H102-L152 HydrophobicContact CB-CD2 3.8Å; V104-L152 HydrophobicContact CB-CD1 4.25Å; V104-L152 HydrophobicContact CG2-CD1 3.64Å; V104-L152 HydrophobicContact CG2-CD2 4.02Å; V104-L152 HydrophobicContact CG2-CG 3.64Å; F129-L152 HydrophobicContact CD2-CD2 4.18Å; F129-L152 HydrophobicContact CE2-CD2 4.25Å; A148-L152 VanDerWaalsContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 WeakPolarHBondContact O-CG 3.48Å; A148-L152 PolarHBondContact O-N 3.43Å; L152-G154 VanDerWaalsContact C-N 3.32Å; L152-G154 WeakPolarHBondContact CB-O 3.23Å; L152-L155 HydrophobicContact CD1-CD2 4.04Å |
| 153 | G | 97.9 | Very high | 98 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 63% | 0.629 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 24.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R78 L149 | R78-G153 PolarHBondContact NH1-O 3.28Å; L149-G153 VanDerWaalsContact O-CA 3.24Å; L149-G153 WeakPolarHBondContact O-CA 3.38Å; L149-G153 PolarHBondContact O-N 2.72Å |
| 154 | G | 98 | Very high | 97.2 | Very high | 5 Ų | 5 | 30 Ų | 30 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 128.2 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R78 L149 L152 S199 | R78-G154 WeakPolarHBondContact CB-O 3.36Å; R78-G154 WeakPolarHBondContact CD-O 3.28Å; L149-G154 PolarHBondContact O-N 2.89Å; L152-G154 VanDerWaalsContact C-N 3.32Å; L152-G154 WeakPolarHBondContact CB-O 3.23Å; G154-S199 WeakPolarHBondContact CA-OG 3.49Å |
| 155 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -134.7 | 135.6 | -174.2 | -69.2 | 174.4 | 0 | 0 | 0 | 112.2 | L80 V145 A148 L149 L152 A196 S199 L200 S203 | L80-L155 HydrophobicContact CB-CD1 4.37Å; L80-L155 HydrophobicContact CB-CD2 3.76Å; L80-L155 HydrophobicContact CD2-CD1 4.36Å; V145-L155 HydrophobicContact CG1-CD1 4.43Å; A148-L155 HydrophobicContact CB-CD2 4.2Å; L149-L155 HydrophobicContact CD2-CD1 4.12Å; L149-L155 HydrophobicContact CD2-CG 3.98Å; L152-L155 HydrophobicContact CD1-CD2 4.04Å; L155-A196 HydrophobicContact CD1-CB 4.01Å; L155-S199 PolarHBondContact N-OG 3.03Å; L155-L200 HydrophobicContact CB-CD2 4.18Å; L155-S203 VanDerWaalsContact O-CB 3.32Å; L155-S203 WeakPolarHBondContact O-CB 3.4Å; L155-S203 PolarHBondContact O-OG 3.41Å | ||
| 156 | D | 98.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -104.7 | -30.1 | 169.8 | -52.2 | -53 | 0 | 0 | 0 | 110.5 | R78 S203 G205 S206 | R78-D156 WeakPolarHBondContact CB-OD2 3.33Å; R78-D156 WeakPolarHBondContact CG-OD2 3.21Å; R78-D156 IonicContact CZ-OD1 3.52Å; R78-D156 IonicContact CZ-OD2 3.81Å; R78-D156 PolarHBondContact N-OD2 2.97Å; R78-D156 IonicContact NE-OD1 3.46Å; R78-D156 PolarHBondContact NE-OD1 3.04Å; R78-D156 IonicContact NE-OD2 2.96Å; R78-D156 PolarHBondContact NE-OD2 3.18Å; R78-D156 IonicContact NH2-OD1 3.2Å; R78-D156 PolarHBondContact NH2-OD1 3.16Å; R78-D156 IonicContact NH2-OD2 3.78Å; R78-D156 PolarHBondContact O-N 3.24Å; D156-S203 WeakPolarHBondContact OD1-CB 3.42Å; D156-G205 CarbonylContact O-C 3.58Å; D156-G205 WeakPolarHBondContact O-CA 3.48Å; D156-S206 PolarHBondContact O-N 3.31Å |
| 157 | Y | 98.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132 | 178 | -65.1 | -98.6 | 0 | 0 | 0 | 112.2 | L74 A77 R78 V79 L80 S206 | L74-Y157 HydrophobicContact CD2-CD2 4.31Å; L74-Y157 HydrophobicContact CD2-CE1 4.15Å; L74-Y157 HydrophobicContact CD2-CE2 3.59Å; L74-Y157 VanDerWaalsContact CD2-CZ 3.5Å; A77-Y157 HydrophobicContact CB-CD2 4.09Å; A77-Y157 HydrophobicContact CB-CE2 3.92Å; R78-Y157 PolarHBondContact O-N 2.97Å; V79-Y157 WeakPolarHBondContact CA-O 3.45Å; V79-Y157 HydrophobicContact CG2-CD2 4.14Å; V79-Y157 HydrophobicContact CG2-CG 4.36Å; L80-Y157 PolarHBondContact N-O 3.37Å; Y157-S206 VanDerWaalsContact CA-O 3.31Å; Y157-S206 WeakPolarHBondContact CA-O 3.24Å |
| 158 | L | 98.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112.8 | 164.1 | 174.5 | 57.1 | 0 | 0 | 0 | 109.1 | L80 L160 L192 A196 L200 S206 L207 V208 | L80-L158 HydrophobicContact CB-CD1 4.15Å; L80-L158 HydrophobicContact CD2-CD1 3.76Å; L80-L158 HydrophobicContact CG-CD1 3.84Å; L158-L160 HydrophobicContact CD1-CD2 3.67Å; L158-L160 HydrophobicContact CD1-CG 4.46Å; L158-L160 HydrophobicContact CD2-CD2 4.01Å; L158-L160 HydrophobicContact CD2-CG 4.41Å; L158-L160 HydrophobicContact CG-CD2 3.72Å; L158-L160 HydrophobicContact CG-CG 4.04Å; L158-L192 HydrophobicContact CD2-CB 4.32Å; L158-A196 HydrophobicContact CD2-CB 3.63Å; L158-L200 HydrophobicContact CB-CD1 4.01Å; L158-S206 PolarHBondContact N-O 3.42Å; L158-S206 VanDerWaalsContact N-O 3.07Å; L158-L207 HydrophobicContact CB-CD1 3.84Å; L158-L207 HydrophobicContact CD2-CD1 3.65Å; L158-L207 HydrophobicContact CG-CD1 3.69Å; L158-V208 PolarHBondContact O-N 3.43Å |
| 159 | V | 98.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 103.5 | -178 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | V79 L80 L81 T82 L92 Y96 N161 V208 | V79-V159 HydrophobicContact CG1-CG2 3.97Å; L80-V159 PolarHBondContact O-N 3.29Å; L81-V159 HydrophobicContact CD1-CB 3.67Å; L81-V159 HydrophobicContact CD1-CG1 3.5Å; T82-V159 PolarHBondContact N-O 3.46Å; T82-V159 PolarHBondContact OG1-O 3.2Å; T82-V159 VanDerWaalsContact OG1-O 3.06Å; L92-V159 HydrophobicContact CD1-CG1 4.13Å; Y96-V159 HydrophobicContact CE2-CG2 4.04Å; V159-N161 PolarHBondContact O-N 3.37Å; V159-V208 HydrophobicContact CG1-CB 4.28Å; V159-V208 HydrophobicContact CG1-CG1 4.35Å; V159-V208 HydrophobicContact CG2-CB 4.25Å; V159-V208 HydrophobicContact CG2-CG2 4.48Å |
| 160 | L | 98.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 93.1 | -178.2 | -54.4 | -178.8 | 0 | 0 | 0 | 110.4 | T82 L158 Y189 L192 L207 V208 V209 V210 F236 | T82-L160 HydrophobicContact CG2-CD2 4.35Å; T82-L160 WeakPolarHBondContact OG1-CA 3.26Å; L158-L160 HydrophobicContact CD1-CD2 3.67Å; L158-L160 HydrophobicContact CD1-CG 4.46Å; L158-L160 HydrophobicContact CD2-CD2 4.01Å; L158-L160 HydrophobicContact CD2-CG 4.41Å; L158-L160 HydrophobicContact CG-CD2 3.72Å; L158-L160 HydrophobicContact CG-CG 4.04Å; L160-Y189 HydrophobicContact CB-CD2 3.35Å; L160-Y189 HydrophobicContact CB-CE1 4.47Å; L160-Y189 HydrophobicContact CB-CE2 3.19Å; L160-Y189 HydrophobicContact CB-CG 4.07Å; L160-Y189 HydrophobicContact CD1-CD2 3.51Å; L160-Y189 HydrophobicContact CD1-CE2 4.26Å; L160-Y189 HydrophobicContact CD1-CG 3.87Å; L160-Y189 HydrophobicContact CG-CD2 4.03Å; L160-Y189 HydrophobicContact CG-CE2 4.33Å; L160-Y189 HydrophobicContact CG-CG 4.47Å; L160-Y189 VanDerWaalsContact O-CE2 3.25Å; L160-Y189 WeakPolarHBondContact O-CE2 3.27Å; L160-Y189 PolarHBondContact O-OH 2.85Å; L160-L192 HydrophobicContact CD2-CB 3.88Å; L160-L192 HydrophobicContact CD2-CD1 3.47Å; L160-L192 VanDerWaalsContact CD2-CD1 3.47Å; L160-L192 HydrophobicContact CD2-CG 4.32Å; L160-L207 HydrophobicContact CD1-CD1 3.86Å; L160-L207 HydrophobicContact CG-CD1 4.1Å; L160-V208 PolarHBondContact N-O 3.23Å; L160-V209 HydrophobicContact CD1-CG2 4.38Å; L160-V210 WeakPolarHBondContact O-CB 3.44Å; L160-V210 PolarHBondContact O-N 2.94Å; L160-F236 HydrophobicContact CD1-CZ 3.93Å |
| 161 | N | 97 | Very high | 87.2 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | trans | -121.4 | -15.8 | -174.5 | 162.8 | 84.1 | 0 | 0 | 0 | 115.1 | L81 T82 G83 G89 L92 V159 Y189 V210 | L81-N161 HydrophobicContact CD1-CB 4.35Å; T82-N161 WeakPolarHBondContact O-CB 3.49Å; T82-N161 PolarHBondContact O-ND2 3.48Å; T82-N161 VanDerWaalsContact O-ND2 3.1Å; T82-N161 PolarHBondContact OG1-N 3.34Å; G83-N161 PolarHBondContact O-ND2 3.47Å; G89-N161 WeakPolarHBondContact CA-ND2 3.47Å; L92-N161 HydrophobicContact CD1-CB 4.27Å; V159-N161 PolarHBondContact O-N 3.37Å; N161-Y189 VanDerWaalsContact C-OH 3.29Å; N161-Y189 WeakPolarHBondContact CA-OH 3.11Å; N161-Y189 PolarHBondContact N-OH 2.81Å; N161-V210 HydrophobicContact CB-CB 4.09Å; N161-V210 HydrophobicContact CB-CG2 3.78Å | ||
| 162 | H | 95.1 | Very high | 85.9 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.06 | 32% | 0.316 | C | S | . | . | trans | -58.1 | 144.6 | -178.9 | 65.5 | -83.8 | 0 | 0 | 0 | 113.1 | T82 M135 V184 S188 Y189 | T82-H162 VanDerWaalsContact CB-ND1 3.27Å; T82-H162 WeakPolarHBondContact CB-ND1 3.41Å; T82-H162 PolarHBondContact O-N 2.95Å; T82-H162 PolarHBondContact OG1-N 3.18Å; T82-H162 PolarHBondContact OG1-ND1 3.36Å; M135-H162 WeakPolarHBondContact CB-NE2 3.45Å; M135-H162 WeakPolarHBondContact CG-NE2 3.48Å; H162-V184 PolarHBondContact CD2-O 3.26Å; H162-V184 VanDerWaalsContact CD2-O 3.27Å; H162-V184 PolarHBondContact NE2-O 3.48Å; H162-S188 PolarHBondContact NE2-OG 2.89Å; H162-Y189 AromaticContact CD2-CE1 3.82Å; H162-Y189 AromaticContact CE1-CD1 3.38Å; H162-Y189 WeakPolarHBondContact CE1-CD1 3.28Å; H162-Y189 AromaticContact CE1-CE1 3.19Å; H162-Y189 WeakPolarHBondContact CE1-CE1 3.34Å; H162-Y189 AromaticContact CG-CE1 3.94Å; H162-Y189 PolarHBondContact N-OH 3.18Å; H162-Y189 AromaticContact ND1-CE1 3.56Å; H162-Y189 AromaticContact NE2-CD1 3.55Å; H162-Y189 AromaticContact NE2-CE1 3.37Å; H162-Y189 WeakPolarHBondContact NE2-CE1 3.48Å; H162-Y189 PolarHBondContact O-OH 3.4Å | ||
| 163 | I | 90.4 | Very high | 85.1 | Confident | 96 Ų | 96 | 51.1 Ų | 51.1 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | trans | -134.6 | 138.8 | 172.8 | 59.4 | 172.2 | 0 | 0 | 0 | 109 | N185 | I163-N185 WeakPolarHBondContact CA-OD1 3.43Š| ||
| 164 | G | 82 | Confident | 84.5 | Confident | 17 Ų | 17 | 49 Ų | 49 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | trans | -93.6 | 150.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W180 L181 N185 | G164-W180 VanDerWaalsContact CA-CH2 3.48Å; G164-L181 VanDerWaalsContact O-CD2 3.26Å; G164-L181 WeakPolarHBondContact O-CD2 3.31Å; G164-N185 PolarHBondContact N-OD1 3.06Å | ||
| 165 | G | 75 | Confident | 84 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | trans | -110.4 | 132.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | W180 | G165-W180 WeakPolarHBondContact O-CH2 3.37Å; G165-W180 WeakPolarHBondContact O-CZ3 3.3Å | ||
| 166 | A | 66.5 | Low | 83.6 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 143.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A177 W180 | A166-A177 HydrophobicContact CB-CB 4.05Å; A166-W180 HydrophobicContact CB-CE3 4.45Å |
| 167 | P | 72.9 | Confident | 83 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 146.8 | -176.5 | -25.6 | 34.3 | 0 | 0 | 0 | 112.4 | G169 T170 W180 | P167-G169 PolarHBondContact O-N 3.2Å; P167-T170 VanDerWaalsContact O-CB 3.27Å; P167-T170 WeakPolarHBondContact O-CB 3.31Å; P167-T170 PolarHBondContact O-N 3.35Å; P167-T170 VanDerWaalsContact O-N 3.07Å; P167-T170 PolarHBondContact O-OG1 3.48Å; P167-W180 HydrophobicContact CG-CD2 4.23Å; P167-W180 HydrophobicContact CG-CG 4.19Å; P167-W180 HydrophobicContact CG-CZ2 4.5Å |
| 168 | A | 67.8 | Low | 82.6 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 92% | 0.917 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 140.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T170 | A168-T170 VanDerWaalsContact C-N 3.28Å; A168-T170 PolarHBondContact O-N 2.9Å |
| 169 | G | 62.3 | Low | 82.3 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 92% | 0.918 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -8.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | P167 R171 | P167-G169 PolarHBondContact O-N 3.2Å; G169-R171 PolarHBondContact O-N 2.84Å |
| 170 | T | 67.7 | Low | 81.9 | Confident | 46 Ų | 46 | 70 Ų | 70 | 28% | 0.282 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 123.1 | 174 | -46.1 | 0 | 0 | 0 | 0 | 110.6 | P167 A168 A172 S174 Q176 A177 | P167-T170 VanDerWaalsContact O-CB 3.27Å; P167-T170 WeakPolarHBondContact O-CB 3.31Å; P167-T170 PolarHBondContact O-N 3.35Å; P167-T170 VanDerWaalsContact O-N 3.07Å; P167-T170 PolarHBondContact O-OG1 3.48Å; A168-T170 VanDerWaalsContact C-N 3.28Å; A168-T170 PolarHBondContact O-N 2.9Å; T170-A172 PolarHBondContact O-N 3.39Å; T170-S174 WeakPolarHBondContact CG2-OG 2.95Å; T170-Q176 HydrophobicContact CG2-CB 4.26Å; T170-A177 HydrophobicContact CG2-CB 3.62Å |
| 171 | R | 70.1 | Confident | 81.6 | Confident | 214 Ų | 214 | 70.8 Ų | 70.8 | 81% | 0.808 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 128.8 | 175.2 | -175 | 175.8 | 179.4 | 162 | 1.7 | 110.3 | G169 R173 S174 | G169-R171 PolarHBondContact O-N 2.84Å; R171-R173 PolarHBondContact O-N 2.88Å; R171-S174 VanDerWaalsContact O-CB 3.24Å; R171-S174 WeakPolarHBondContact O-CB 3.33Å; R171-S174 PolarHBondContact O-N 3.41Å; R171-S174 PolarHBondContact O-OG 3.35Å |
| 172 | A | 70.6 | Confident | 81.5 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 59% | 0.587 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 133.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T170 S174 | T170-A172 PolarHBondContact O-N 3.39Å; A172-S174 PolarHBondContact O-N 3.36Å |
| 173 | R | 80.5 | Confident | 81.5 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 49% | 0.494 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 12.6 | -178.1 | -45.9 | 176.5 | -168.4 | 101 | 18.4 | 115.5 | R171 F221 | R171-R173 PolarHBondContact O-N 2.88Å; R173-F221 VanDerWaalsContact NH2-CA 3.26Å; R173-F221 PolarHBondContact NH2-O 2.84Å |
| 174 | S | 85.7 | Confident | 81.8 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 12% | 0.119 | 41% | 0.406 | C | S | . | . | trans | -67 | 156 | 168.3 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | T170 R171 A172 Q176 A177 T178 | T170-S174 WeakPolarHBondContact CG2-OG 2.95Å; R171-S174 VanDerWaalsContact O-CB 3.24Å; R171-S174 WeakPolarHBondContact O-CB 3.33Å; R171-S174 PolarHBondContact O-N 3.41Å; R171-S174 PolarHBondContact O-OG 3.35Å; A172-S174 PolarHBondContact O-N 3.36Å; S174-Q176 PolarHBondContact O-N 3.07Å; S174-A177 PolarHBondContact O-N 3.03Å; S174-A177 WeakPolarHBondContact OG-CB 3.47Å; S174-A177 PolarHBondContact OG-N 2.8Å; S174-A177 VanDerWaalsContact OG-N 3.09Å; S174-T178 WeakPolarHBondContact O-CB 3.43Å; S174-T178 PolarHBondContact O-N 3.43Å; S174-T178 PolarHBondContact O-OG1 2.73Å | ||
| 175 | P | 88.8 | Confident | 82.4 | Confident | 93 Ų | 93 | 69 Ų | 69 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.1 | -35.8 | 170.4 | -26.7 | 35.5 | 0 | 0 | 0 | 112.8 | T178 R179 | P175-T178 PolarHBondContact O-N 3.17Å; P175-R179 WeakPolarHBondContact O-CB 3.25Å; P175-R179 PolarHBondContact O-N 2.88Å |
| 176 | Q | 88.3 | Confident | 83.5 | Confident | 117 Ų | 117 | 68 Ų | 68 | 55% | 0.547 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.4 | -49.9 | 178.3 | -65.2 | 78.9 | -0.2 | 0 | 0 | 111.4 | T170 S174 T178 R179 W180 | T170-Q176 HydrophobicContact CG2-CB 4.26Å; S174-Q176 PolarHBondContact O-N 3.07Å; Q176-T178 PolarHBondContact O-N 2.9Å; Q176-R179 PolarHBondContact O-N 3.19Å; Q176-W180 WeakPolarHBondContact O-CB 3.22Å; Q176-W180 PolarHBondContact O-N 3.41Å |
| 177 | A | 86.4 | Confident | 85 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.033 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.8 | -37.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A166 T170 S174 L181 | A166-A177 HydrophobicContact CB-CB 4.05Å; T170-A177 HydrophobicContact CG2-CB 3.62Å; S174-A177 PolarHBondContact O-N 3.03Å; S174-A177 WeakPolarHBondContact OG-CB 3.47Å; S174-A177 PolarHBondContact OG-N 2.8Å; S174-A177 VanDerWaalsContact OG-N 3.09Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 WeakPolarHBondContact O-CG 3.37Å; A177-L181 PolarHBondContact O-N 2.99Å |
| 178 | T | 90.4 | Very high | 86.2 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.7 | -49 | 179.6 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | S174 P175 Q176 W180 L181 M182 P224 | S174-T178 WeakPolarHBondContact O-CB 3.43Å; S174-T178 PolarHBondContact O-N 3.43Å; S174-T178 PolarHBondContact O-OG1 2.73Å; P175-T178 PolarHBondContact O-N 3.17Å; Q176-T178 PolarHBondContact O-N 2.9Å; T178-W180 VanDerWaalsContact C-N 3.33Å; T178-W180 PolarHBondContact O-N 2.88Å; T178-L181 PolarHBondContact O-N 2.96Å; T178-M182 HydrophobicContact CG2-CG 4.39Å; T178-M182 WeakPolarHBondContact O-CB 3.32Å; T178-M182 VanDerWaalsContact O-CG 3.23Å; T178-M182 WeakPolarHBondContact O-CG 3.36Å; T178-M182 PolarHBondContact O-N 2.87Å; T178-P224 HydrophobicContact CG2-CB 4.23Å |
| 179 | R | 92.3 | Very high | 87.7 | Confident | 183 Ų | 183 | 60.4 Ų | 60.4 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.6 | -46.1 | 176.1 | -175.3 | -179.5 | -65.8 | 135.3 | -1.3 | 111.4 | P175 Q176 M182 Q183 | P175-R179 WeakPolarHBondContact O-CB 3.25Å; P175-R179 PolarHBondContact O-N 2.88Å; Q176-R179 PolarHBondContact O-N 3.19Å; R179-M182 PolarHBondContact O-N 2.85Å; R179-Q183 PolarHBondContact O-N 3.41Å |
| 180 | W | 92.2 | Very high | 89.4 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 179.2 | -172.6 | 95.8 | 0 | 0 | 0 | 111.8 | A136 G164 G165 A166 P167 Q176 T178 M182 Q183 V184 | A136-W180 HydrophobicContact CB-CZ2 4.17Å; G164-W180 VanDerWaalsContact CA-CH2 3.48Å; G165-W180 WeakPolarHBondContact O-CH2 3.37Å; G165-W180 WeakPolarHBondContact O-CZ3 3.3Å; A166-W180 HydrophobicContact CB-CE3 4.45Å; P167-W180 HydrophobicContact CG-CD2 4.23Å; P167-W180 HydrophobicContact CG-CG 4.19Å; P167-W180 HydrophobicContact CG-CZ2 4.5Å; Q176-W180 WeakPolarHBondContact O-CB 3.22Å; Q176-W180 PolarHBondContact O-N 3.41Å; T178-W180 VanDerWaalsContact C-N 3.33Å; T178-W180 PolarHBondContact O-N 2.88Å; W180-M182 VanDerWaalsContact C-N 3.33Å; W180-M182 PolarHBondContact O-N 3.02Å; W180-Q183 WeakPolarHBondContact O-CB 3.38Å; W180-Q183 PolarHBondContact O-N 3.27Å; W180-Q183 VanDerWaalsContact O-N 3.17Å; W180-V184 HydrophobicContact CD2-CG2 3.99Å; W180-V184 HydrophobicContact CE3-CG2 4.07Å; W180-V184 HydrophobicContact CH2-CB 4.36Å; W180-V184 HydrophobicContact CH2-CG1 4.45Å; W180-V184 HydrophobicContact CH2-CG2 3.77Å; W180-V184 HydrophobicContact CZ2-CG2 3.69Å; W180-V184 HydrophobicContact CZ3-CB 4.28Å; W180-V184 HydrophobicContact CZ3-CG2 3.96Å; W180-V184 WeakPolarHBondContact O-CG2 3.41Å; W180-V184 PolarHBondContact O-N 3.01Å |
| 181 | L | 91.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -35.5 | 177.2 | -79.6 | 168.1 | 0 | 0 | 0 | 112.3 | G164 A177 T178 N185 P224 | G164-L181 VanDerWaalsContact O-CD2 3.26Å; G164-L181 WeakPolarHBondContact O-CD2 3.31Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 WeakPolarHBondContact O-CG 3.37Å; A177-L181 PolarHBondContact O-N 2.99Å; T178-L181 PolarHBondContact O-N 2.96Å; L181-N185 WeakPolarHBondContact CD2-ND2 3.33Å; L181-N185 WeakPolarHBondContact O-CB 3.45Å; L181-N185 PolarHBondContact O-N 3.34Å; L181-P224 HydrophobicContact CD1-CB 3.74Å |
| 182 | M | 94.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 172.3 | -72.9 | -61 | -62.1 | 0 | 0 | 111.3 | T178 R179 W180 F186 V187 A228 A231 | T178-M182 HydrophobicContact CG2-CG 4.39Å; T178-M182 WeakPolarHBondContact O-CB 3.32Å; T178-M182 VanDerWaalsContact O-CG 3.23Å; T178-M182 WeakPolarHBondContact O-CG 3.36Å; T178-M182 PolarHBondContact O-N 2.87Å; R179-M182 PolarHBondContact O-N 2.85Å; W180-M182 VanDerWaalsContact C-N 3.33Å; W180-M182 PolarHBondContact O-N 3.02Å; M182-F186 HydrophobicContact CE-CB 4.16Å; M182-F186 HydrophobicContact CE-CD1 3.67Å; M182-F186 HydrophobicContact CE-CE1 4.39Å; M182-F186 HydrophobicContact CE-CG 4.06Å; M182-F186 WeakPolarHBondContact O-CA 3.38Å; M182-F186 VanDerWaalsContact O-CB 3.31Å; M182-F186 WeakPolarHBondContact O-CB 3.38Å; M182-F186 PolarHBondContact O-N 2.87Å; M182-F186 VanDerWaalsContact O-N 3.11Å; M182-V187 PolarHBondContact O-N 3.48Å; M182-A228 WeakPolarHBondContact SD-CA 3.42Å; M182-A228 HydrophobicContact SD-CB 3.68Å; M182-A231 HydrophobicContact CE-CB 4.04Å |
| 183 | Q | 95.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 20% | 0.201 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -59.5 | -54.7 | 175.7 | -179.2 | 58.9 | 27.3 | 0 | 0 | 110.8 | R179 W180 V187 S188 | R179-Q183 PolarHBondContact O-N 3.41Å; W180-Q183 WeakPolarHBondContact O-CB 3.38Å; W180-Q183 PolarHBondContact O-N 3.27Å; W180-Q183 VanDerWaalsContact O-N 3.17Å; Q183-V187 PolarHBondContact O-N 2.67Å; Q183-S188 PolarHBondContact O-N 2.85Å; Q183-S188 PolarHBondContact O-OG 3.29Å |
| 184 | V | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -75.1 | -37 | -173 | -180 | 0 | 0 | 0 | 0 | 113.6 | M135 A136 H162 W180 S188 | M135-V184 HydrophobicContact CB-CG1 4.25Å; A136-V184 HydrophobicContact CB-CG2 3.66Å; H162-V184 PolarHBondContact CD2-O 3.26Å; H162-V184 VanDerWaalsContact CD2-O 3.27Å; H162-V184 PolarHBondContact NE2-O 3.48Å; W180-V184 HydrophobicContact CD2-CG2 3.99Å; W180-V184 HydrophobicContact CE3-CG2 4.07Å; W180-V184 HydrophobicContact CH2-CB 4.36Å; W180-V184 HydrophobicContact CH2-CG1 4.45Å; W180-V184 HydrophobicContact CH2-CG2 3.77Å; W180-V184 HydrophobicContact CZ2-CG2 3.69Å; W180-V184 HydrophobicContact CZ3-CB 4.28Å; W180-V184 HydrophobicContact CZ3-CG2 3.96Å; W180-V184 WeakPolarHBondContact O-CG2 3.41Å; W180-V184 PolarHBondContact O-N 3.01Å; V184-S188 PolarHBondContact O-OG 2.9Å |
| 185 | N | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -100.3 | -3.4 | -172.1 | -61.2 | -23.8 | 0 | 0 | 0 | 113.4 | I163 G164 L181 A228 | I163-N185 WeakPolarHBondContact CA-OD1 3.43Å; G164-N185 PolarHBondContact N-OD1 3.06Å; L181-N185 WeakPolarHBondContact CD2-ND2 3.33Å; L181-N185 WeakPolarHBondContact O-CB 3.45Å; L181-N185 PolarHBondContact O-N 3.34Å; N185-A228 HydrophobicContact CB-CB 3.81Å |
| 186 | F | 97.6 | Very high | 95.5 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 17% | 0.167 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -140.1 | -59.3 | -178.1 | 173.9 | -105.8 | 0 | 0 | 0 | 113.1 | M182 S188 Y189 V190 A231 L232 F235 | M182-F186 HydrophobicContact CE-CB 4.16Å; M182-F186 HydrophobicContact CE-CD1 3.67Å; M182-F186 HydrophobicContact CE-CE1 4.39Å; M182-F186 HydrophobicContact CE-CG 4.06Å; M182-F186 WeakPolarHBondContact O-CA 3.38Å; M182-F186 VanDerWaalsContact O-CB 3.31Å; M182-F186 WeakPolarHBondContact O-CB 3.38Å; M182-F186 PolarHBondContact O-N 2.87Å; M182-F186 VanDerWaalsContact O-N 3.11Å; F186-S188 PolarHBondContact O-N 3.1Å; F186-Y189 VanDerWaalsContact O-CB 3.3Å; F186-Y189 WeakPolarHBondContact O-CB 3.32Å; F186-Y189 PolarHBondContact O-N 3.1Å; F186-Y189 VanDerWaalsContact O-N 3.1Å; F186-V190 HydrophobicContact CE1-CG2 4.37Å; F186-V190 HydrophobicContact CE2-CG2 4.05Å; F186-V190 HydrophobicContact CZ-CG2 3.97Å; F186-V190 PolarHBondContact O-N 3.17Å; F186-V190 VanDerWaalsContact O-N 3.1Å; F186-A231 HydrophobicContact CD1-CB 4.32Å; F186-A231 HydrophobicContact CD2-CB 3.55Å; F186-A231 HydrophobicContact CE1-CB 4.46Å; F186-A231 HydrophobicContact CE2-CB 3.73Å; F186-A231 HydrophobicContact CG-CB 3.87Å; F186-A231 HydrophobicContact CZ-CB 4.19Å; F186-L232 HydrophobicContact CD2-CD2 4.02Å; F186-L232 HydrophobicContact CD2-CG 4.45Å; F186-F235 HydrophobicContact CE2-CB 3.63Å; F186-F235 HydrophobicContact CE2-CD2 4.48Å; F186-F235 HydrophobicContact CE2-CG 4.07Å; F186-F235 HydrophobicContact CZ-CB 4.07Å; F186-F235 HydrophobicContact CZ-CD2 4.22Å; F186-F235 HydrophobicContact CZ-CG 4.28Å |
| 187 | V | 98.1 | Very high | 96 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 29% | 0.291 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -64 | -43.5 | -174.6 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | M182 Q183 Y189 V190 Q191 | M182-V187 PolarHBondContact O-N 3.48Å; Q183-V187 PolarHBondContact O-N 2.67Å; V187-Y189 PolarHBondContact O-N 2.89Å; V187-V190 WeakPolarHBondContact O-CA 3.18Å; V187-V190 WeakPolarHBondContact O-CB 3.38Å; V187-V190 PolarHBondContact O-N 2.72Å; V187-Q191 HydrophobicContact CG1-CG 4.36Å; V187-Q191 WeakPolarHBondContact O-CG 3.39Å; V187-Q191 PolarHBondContact O-N 2.76Å |
| 188 | S | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -36.4 | 174.4 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | H162 Q183 V184 F186 V190 Q191 L192 | H162-S188 PolarHBondContact NE2-OG 2.89Å; Q183-S188 PolarHBondContact O-N 2.85Å; Q183-S188 PolarHBondContact O-OG 3.29Å; V184-S188 PolarHBondContact O-OG 2.9Å; F186-S188 PolarHBondContact O-N 3.1Å; S188-V190 VanDerWaalsContact C-N 3.35Å; S188-Q191 PolarHBondContact O-N 2.96Å; S188-L192 WeakPolarHBondContact O-CB 3.39Å; S188-L192 WeakPolarHBondContact O-CG 3.13Å; S188-L192 PolarHBondContact O-N 3.43Å |
| 189 | Y | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 176.4 | -81.9 | 52.2 | 0 | 0 | 0 | 110.9 | L160 N161 H162 F186 V187 T193 V209 L232 F236 | L160-Y189 HydrophobicContact CB-CD2 3.35Å; L160-Y189 HydrophobicContact CB-CE1 4.47Å; L160-Y189 HydrophobicContact CB-CE2 3.19Å; L160-Y189 HydrophobicContact CB-CG 4.07Å; L160-Y189 HydrophobicContact CD1-CD2 3.51Å; L160-Y189 HydrophobicContact CD1-CE2 4.26Å; L160-Y189 HydrophobicContact CD1-CG 3.87Å; L160-Y189 HydrophobicContact CG-CD2 4.03Å; L160-Y189 HydrophobicContact CG-CE2 4.33Å; L160-Y189 HydrophobicContact CG-CG 4.47Å; L160-Y189 VanDerWaalsContact O-CE2 3.25Å; L160-Y189 WeakPolarHBondContact O-CE2 3.27Å; L160-Y189 PolarHBondContact O-OH 2.85Å; N161-Y189 VanDerWaalsContact C-OH 3.29Å; N161-Y189 WeakPolarHBondContact CA-OH 3.11Å; N161-Y189 PolarHBondContact N-OH 2.81Å; H162-Y189 AromaticContact CD2-CE1 3.82Å; H162-Y189 AromaticContact CE1-CD1 3.38Å; H162-Y189 WeakPolarHBondContact CE1-CD1 3.28Å; H162-Y189 AromaticContact CE1-CE1 3.19Å; H162-Y189 WeakPolarHBondContact CE1-CE1 3.34Å; H162-Y189 AromaticContact CG-CE1 3.94Å; H162-Y189 PolarHBondContact N-OH 3.18Å; H162-Y189 AromaticContact ND1-CE1 3.56Å; H162-Y189 AromaticContact NE2-CD1 3.55Å; H162-Y189 AromaticContact NE2-CE1 3.37Å; H162-Y189 WeakPolarHBondContact NE2-CE1 3.48Å; H162-Y189 PolarHBondContact O-OH 3.4Å; F186-Y189 VanDerWaalsContact O-CB 3.3Å; F186-Y189 WeakPolarHBondContact O-CB 3.32Å; F186-Y189 PolarHBondContact O-N 3.1Å; F186-Y189 VanDerWaalsContact O-N 3.1Å; V187-Y189 PolarHBondContact O-N 2.89Å; Y189-T193 VanDerWaalsContact O-CB 3.32Å; Y189-T193 WeakPolarHBondContact O-CB 3.45Å; Y189-T193 PolarHBondContact O-N 2.95Å; Y189-T193 PolarHBondContact O-OG1 3.11Å; Y189-V209 HydrophobicContact CD2-CG1 4.02Å; Y189-V209 HydrophobicContact CE2-CG1 4Å; Y189-L232 HydrophobicContact CD2-CD1 4.37Å; Y189-L232 HydrophobicContact CD2-CD2 3.51Å; Y189-L232 HydrophobicContact CE2-CD1 4.2Å; Y189-L232 HydrophobicContact CE2-CD2 4.15Å; Y189-L232 HydrophobicContact CG-CD2 3.88Å; Y189-F236 HydrophobicContact CD2-CE2 4.25Å |
| 190 | V | 98.6 | Very high | 97.3 | Very high | 37 Ų | 37 | 31.8 Ų | 31.8 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | F186 V187 S188 T193 S194 F235 | F186-V190 HydrophobicContact CE1-CG2 4.37Å; F186-V190 HydrophobicContact CE2-CG2 4.05Å; F186-V190 HydrophobicContact CZ-CG2 3.97Å; F186-V190 PolarHBondContact O-N 3.17Å; F186-V190 VanDerWaalsContact O-N 3.1Å; V187-V190 WeakPolarHBondContact O-CA 3.18Å; V187-V190 WeakPolarHBondContact O-CB 3.38Å; V187-V190 PolarHBondContact O-N 2.72Å; S188-V190 VanDerWaalsContact C-N 3.35Å; V190-T193 PolarHBondContact O-N 2.84Å; V190-S194 WeakPolarHBondContact O-CB 3.4Å; V190-S194 PolarHBondContact O-N 3.4Å; V190-F235 HydrophobicContact CB-CE1 4.42Å; V190-F235 HydrophobicContact CB-CZ 4.21Å; V190-F235 HydrophobicContact CG1-CE1 4.29Å; V190-F235 HydrophobicContact CG1-CE2 3.97Å; V190-F235 HydrophobicContact CG1-CZ 3.63Å; V190-F235 HydrophobicContact CG2-CD1 3.96Å; V190-F235 HydrophobicContact CG2-CD2 4.06Å; V190-F235 HydrophobicContact CG2-CE1 3.79Å; V190-F235 HydrophobicContact CG2-CE2 3.88Å; V190-F235 HydrophobicContact CG2-CG 4.11Å; V190-F235 HydrophobicContact CG2-CZ 3.76Å |
| 191 | Q | 98.6 | Very high | 97.6 | Very high | 61 Ų | 61 | 31.3 Ų | 31.3 | 29% | 0.285 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62 | -48.2 | 179 | -68.8 | 174.1 | -51.4 | 0 | 0 | 112.1 | P138 P141 V187 S188 T193 S194 R195 | P138-Q191 PolarHBondContact O-NE2 3.22Å; P138-Q191 VanDerWaalsContact O-NE2 3.09Å; P141-Q191 HydrophobicContact CB-CB 3.63Å; P141-Q191 HydrophobicContact CG-CB 4.07Å; V187-Q191 HydrophobicContact CG1-CG 4.36Å; V187-Q191 WeakPolarHBondContact O-CG 3.39Å; V187-Q191 PolarHBondContact O-N 2.76Å; S188-Q191 PolarHBondContact O-N 2.96Å; Q191-T193 VanDerWaalsContact C-N 3.31Å; Q191-T193 PolarHBondContact O-N 3.17Å; Q191-S194 PolarHBondContact O-N 3.18Å; Q191-R195 PolarHBondContact O-N 3.18Å |
| 192 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 175.5 | -72.7 | 168 | 0 | 0 | 0 | 111.4 | T82 M135 P141 V144 V145 L158 L160 S188 A196 | T82-L192 HydrophobicContact CG2-CD1 3.85Å; M135-L192 HydrophobicContact SD-CD1 4.16Å; P141-L192 HydrophobicContact CB-CD2 3.92Å; P141-L192 HydrophobicContact CB-CG 3.92Å; P141-L192 WeakPolarHBondContact O-CD2 3.42Å; V144-L192 HydrophobicContact CB-CD2 4.4Å; V144-L192 HydrophobicContact CG1-CD2 4.14Å; V145-L192 HydrophobicContact CG2-CB 4.49Å; V145-L192 HydrophobicContact CG2-CD2 3.68Å; L158-L192 HydrophobicContact CD2-CB 4.32Å; L160-L192 HydrophobicContact CD2-CB 3.88Å; L160-L192 HydrophobicContact CD2-CD1 3.47Å; L160-L192 VanDerWaalsContact CD2-CD1 3.47Å; L160-L192 HydrophobicContact CD2-CG 4.32Å; S188-L192 WeakPolarHBondContact O-CB 3.39Å; S188-L192 WeakPolarHBondContact O-CG 3.13Å; S188-L192 PolarHBondContact O-N 3.43Å; L192-A196 VanDerWaalsContact O-CB 3.22Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 2.77Å |
| 193 | T | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -50.4 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | Y189 V190 Q191 R195 A196 L197 L207 F236 L239 | Y189-T193 VanDerWaalsContact O-CB 3.32Å; Y189-T193 WeakPolarHBondContact O-CB 3.45Å; Y189-T193 PolarHBondContact O-N 2.95Å; Y189-T193 PolarHBondContact O-OG1 3.11Å; V190-T193 PolarHBondContact O-N 2.84Å; Q191-T193 VanDerWaalsContact C-N 3.31Å; Q191-T193 PolarHBondContact O-N 3.17Å; T193-R195 VanDerWaalsContact C-N 3.26Å; T193-R195 PolarHBondContact O-N 3.25Å; T193-A196 PolarHBondContact O-N 3.37Å; T193-L197 VanDerWaalsContact O-CB 3.28Å; T193-L197 WeakPolarHBondContact O-CB 3.33Å; T193-L197 PolarHBondContact O-N 3.03Å; T193-L207 HydrophobicContact CG2-CD2 3.63Å; T193-F236 HydrophobicContact CG2-CE1 4.07Å; T193-F236 WeakPolarHBondContact OG1-CE1 3.09Å; T193-F236 WeakPolarHBondContact OG1-CZ 3.45Å; T193-L239 HydrophobicContact CG2-CD2 3.76Å |
| 194 | S | 98.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 40.5 Ų | 40.5 | 62% | 0.615 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -55.7 | -43 | -179.2 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | V190 Q191 | V190-S194 WeakPolarHBondContact O-CB 3.4Å; V190-S194 PolarHBondContact O-N 3.4Å; Q191-S194 PolarHBondContact O-N 3.18Å |
| 195 | R | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.9 | -36.2 | 179.1 | -173.1 | 65.9 | -170.4 | 111.9 | -6.3 | 113.3 | V145 Q191 T193 | V145-R195 HydrophobicContact CB-CB 4.11Å; V145-R195 HydrophobicContact CB-CG 3.67Å; V145-R195 HydrophobicContact CG1-CB 4.08Å; V145-R195 HydrophobicContact CG1-CG 3.58Å; V145-R195 HydrophobicContact CG2-CB 4.22Å; V145-R195 HydrophobicContact CG2-CG 4.32Å; Q191-R195 PolarHBondContact O-N 3.18Å; T193-R195 VanDerWaalsContact C-N 3.26Å; T193-R195 PolarHBondContact O-N 3.25Å |
| 196 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -85.3 | -20.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V145 L155 L158 L192 T193 P198 S199 L200 | V145-A196 HydrophobicContact CG1-CB 3.95Å; V145-A196 HydrophobicContact CG2-CB 4.35Å; L155-A196 HydrophobicContact CD1-CB 4.01Å; L158-A196 HydrophobicContact CD2-CB 3.63Å; L192-A196 VanDerWaalsContact O-CB 3.22Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 2.77Å; T193-A196 PolarHBondContact O-N 3.37Å; A196-P198 VanDerWaalsContact C-CD 3.5Å; A196-S199 PolarHBondContact O-N 2.96Å; A196-S199 VanDerWaalsContact O-N 3.11Å; A196-L200 HydrophobicContact CB-CD1 4.4Å; A196-L200 PolarHBondContact O-N 3.24Å |
| 197 | L | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.3 | -43.8 | -172.3 | -174.5 | 63.9 | 0 | 0 | 0 | 113.5 | T193 S199 L200 T201 L243 V250 | T193-L197 VanDerWaalsContact O-CB 3.28Å; T193-L197 WeakPolarHBondContact O-CB 3.33Å; T193-L197 PolarHBondContact O-N 3.03Å; L197-S199 VanDerWaalsContact C-N 3.34Å; L197-S199 PolarHBondContact O-N 3.29Å; L197-L200 PolarHBondContact O-N 3.09Å; L197-T201 PolarHBondContact O-N 3.3Å; L197-T201 PolarHBondContact O-OG1 3.45Å; L197-T201 VanDerWaalsContact O-OG1 3.07Å; L197-L243 HydrophobicContact CD1-CD1 4.34Å; L197-L243 HydrophobicContact CD1-CD2 4.31Å; L197-L243 HydrophobicContact CD2-CD2 4.36Å; L197-V250 HydrophobicContact CD1-CG1 4.44Å; L197-V250 HydrophobicContact CD1-CG2 4.44Å |
| 198 | P | 98.5 | Very high | 98.5 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 177.1 | -26 | 35.8 | 0 | 0 | 0 | 112.8 | A196 L200 T201 D202 | A196-P198 VanDerWaalsContact C-CD 3.5Å; P198-L200 VanDerWaalsContact C-N 3.35Å; P198-L200 PolarHBondContact O-N 3Å; P198-T201 WeakPolarHBondContact O-CB 3.2Å; P198-T201 PolarHBondContact O-N 3.29Å; P198-D202 PolarHBondContact O-N 3.31Å |
| 199 | S | 98.6 | Very high | 98.5 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.1 | -32.9 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 112.9 | G154 L155 A196 L197 T201 S203 | G154-S199 WeakPolarHBondContact CA-OG 3.49Å; L155-S199 PolarHBondContact N-OG 3.03Å; A196-S199 PolarHBondContact O-N 2.96Å; A196-S199 VanDerWaalsContact O-N 3.11Å; L197-S199 VanDerWaalsContact C-N 3.34Å; L197-S199 PolarHBondContact O-N 3.29Å; S199-T201 VanDerWaalsContact C-N 3.34Å; S199-S203 PolarHBondContact O-N 3.22Å; S199-S203 PolarHBondContact O-OG 3.37Å; S199-S203 VanDerWaalsContact O-OG 3.1Å |
| 200 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.3 | -35.7 | 173 | -67.2 | 174.4 | 0 | 0 | 0 | 111.4 | L155 L158 A196 L197 P198 S203 K204 G205 L207 V250 | L155-L200 HydrophobicContact CB-CD2 4.18Å; L158-L200 HydrophobicContact CB-CD1 4.01Å; A196-L200 HydrophobicContact CB-CD1 4.4Å; A196-L200 PolarHBondContact O-N 3.24Å; L197-L200 PolarHBondContact O-N 3.09Å; P198-L200 VanDerWaalsContact C-N 3.35Å; P198-L200 PolarHBondContact O-N 3Å; L200-S203 WeakPolarHBondContact CA-OG 3.27Å; L200-S203 PolarHBondContact O-N 3.49Å; L200-S203 PolarHBondContact O-OG 3.12Å; L200-K204 CarbonylContact O-C 3.56Å; L200-K204 WeakPolarHBondContact O-CA 3.19Å; L200-K204 PolarHBondContact O-N 3.32Å; L200-G205 PolarHBondContact O-N 2.82Å; L200-L207 HydrophobicContact CD1-CB 4.4Å; L200-V250 HydrophobicContact CB-CG1 4.15Å; L200-V250 HydrophobicContact CB-CG2 4.09Å; L200-V250 WeakPolarHBondContact O-CG2 3.23Å |
| 201 | T | 98.6 | Very high | 98.2 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 31% | 0.307 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 174.7 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | L197 P198 S199 S203 K204 V248 | L197-T201 PolarHBondContact O-N 3.3Å; L197-T201 PolarHBondContact O-OG1 3.45Å; L197-T201 VanDerWaalsContact O-OG1 3.07Å; P198-T201 WeakPolarHBondContact O-CB 3.2Å; P198-T201 PolarHBondContact O-N 3.29Å; S199-T201 VanDerWaalsContact C-N 3.34Å; T201-S203 VanDerWaalsContact C-N 3.29Å; T201-S203 PolarHBondContact O-N 3.42Å; T201-K204 PolarHBondContact O-N 3.06Å; T201-K204 VanDerWaalsContact O-N 3.12Å; T201-V248 HydrophobicContact CG2-CG1 3.89Å; T201-V248 WeakPolarHBondContact OG1-CG1 3.47Å |
| 202 | D | 98.3 | Very high | 97.7 | Very high | 136 Ų | 136 | 33 Ų | 33 | 73% | 0.727 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -59.5 | -40.1 | 178.7 | -64.8 | -22.7 | 0 | 0 | 0 | 112.2 | P198 | P198-D202 PolarHBondContact O-N 3.31Å |
| 203 | S | 98.3 | Very high | 97 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -84.4 | -7.5 | 179.2 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | L155 D156 S199 L200 T201 G205 | L155-S203 VanDerWaalsContact O-CB 3.32Å; L155-S203 WeakPolarHBondContact O-CB 3.4Å; L155-S203 PolarHBondContact O-OG 3.41Å; D156-S203 WeakPolarHBondContact OD1-CB 3.42Å; S199-S203 PolarHBondContact O-N 3.22Å; S199-S203 PolarHBondContact O-OG 3.37Å; S199-S203 VanDerWaalsContact O-OG 3.1Å; L200-S203 WeakPolarHBondContact CA-OG 3.27Å; L200-S203 PolarHBondContact O-N 3.49Å; L200-S203 PolarHBondContact O-OG 3.12Å; T201-S203 VanDerWaalsContact C-N 3.29Å; T201-S203 PolarHBondContact O-N 3.42Å; S203-G205 PolarHBondContact O-N 3.07Å; S203-G205 PolarHBondContact OG-N 3.48Å |
| 204 | K | 98.3 | Very high | 96.3 | Very high | 132 Ų | 132 | 35.8 Ų | 35.8 | 57% | 0.574 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 35.3 | -166.6 | -53.2 | 175 | -177.8 | 178 | 0 | 111.8 | L200 T201 N249 R294 | L200-K204 CarbonylContact O-C 3.56Å; L200-K204 WeakPolarHBondContact O-CA 3.19Å; L200-K204 PolarHBondContact O-N 3.32Å; T201-K204 PolarHBondContact O-N 3.06Å; T201-K204 VanDerWaalsContact O-N 3.12Å; K204-N249 CarbonylContact C-O 3.24Å; K204-N249 VanDerWaalsContact C-O 3.31Å; K204-N249 WeakPolarHBondContact CA-O 3.23Å; K204-N249 HydrophobicContact CB-CB 4.34Å; K204-N249 WeakPolarHBondContact CB-O 3.38Å; K204-N249 HydrophobicContact CG-CB 4.25Å; K204-R294 PolarHBondContact O-NH1 3.2Å; K204-R294 PolarHBondContact O-NH2 3.04Å |
| 205 | G | 98.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | trans | -72.3 | -166.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D156 L200 S203 A251 R294 | D156-G205 CarbonylContact O-C 3.58Å; D156-G205 WeakPolarHBondContact O-CA 3.48Å; L200-G205 PolarHBondContact O-N 2.82Å; S203-G205 PolarHBondContact O-N 3.07Å; S203-G205 PolarHBondContact OG-N 3.48Å; G205-A251 PolarHBondContact O-N 2.74Å; G205-R294 PolarHBondContact O-NH1 2.85Å | ||
| 206 | S | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128 | -175.5 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | D156 Y157 L158 A251 G291 R294 | D156-S206 PolarHBondContact O-N 3.31Å; Y157-S206 VanDerWaalsContact CA-O 3.31Å; Y157-S206 WeakPolarHBondContact CA-O 3.24Å; L158-S206 PolarHBondContact N-O 3.42Å; L158-S206 VanDerWaalsContact N-O 3.07Å; S206-A251 CarbonylContact C-O 3.58Å; S206-A251 WeakPolarHBondContact CA-O 3.45Å; S206-G291 PolarHBondContact OG-O 3.17Å; S206-R294 PolarHBondContact OG-NH1 3.44Å |
| 207 | L | 98.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.4 | 168.9 | 178.5 | 62.2 | 0 | 0 | 0 | 110 | L158 L160 T193 L200 V209 F236 A251 I252 T253 | L158-L207 HydrophobicContact CB-CD1 3.84Å; L158-L207 HydrophobicContact CD2-CD1 3.65Å; L158-L207 HydrophobicContact CG-CD1 3.69Å; L160-L207 HydrophobicContact CD1-CD1 3.86Å; L160-L207 HydrophobicContact CG-CD1 4.1Å; T193-L207 HydrophobicContact CG2-CD2 3.63Å; L200-L207 HydrophobicContact CD1-CB 4.4Å; L207-V209 HydrophobicContact CD2-CG2 4.5Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; L207-F236 HydrophobicContact CD2-CD1 3.76Å; L207-F236 HydrophobicContact CD2-CE1 3.55Å; L207-A251 PolarHBondContact N-O 3.29Å; L207-I252 HydrophobicContact CB-CG1 4.26Å; L207-I252 HydrophobicContact CD2-CD1 4.14Å; L207-I252 HydrophobicContact CD2-CG1 4.16Å; L207-I252 HydrophobicContact CD2-CG2 4.35Å; L207-I252 CarbonylContact O-C 3.38Å; L207-I252 WeakPolarHBondContact O-CA 3.24Å; L207-T253 PolarHBondContact O-N 3.34Å |
| 208 | V | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.2 | -177.3 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | L158 V159 L160 V287 | L158-V208 PolarHBondContact O-N 3.43Å; V159-V208 HydrophobicContact CG1-CB 4.28Å; V159-V208 HydrophobicContact CG1-CG1 4.35Å; V159-V208 HydrophobicContact CG2-CB 4.25Å; V159-V208 HydrophobicContact CG2-CG2 4.48Å; L160-V208 PolarHBondContact N-O 3.23Å; V208-V287 HydrophobicContact CG1-CG1 3.61Å |
| 209 | V | 98.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 109 | -174.6 | -176 | 0 | 0 | 0 | 0 | 109.9 | L160 Y189 L207 S211 L232 F236 I252 T253 M254 C255 | L160-V209 HydrophobicContact CD1-CG2 4.38Å; Y189-V209 HydrophobicContact CD2-CG1 4.02Å; Y189-V209 HydrophobicContact CE2-CG1 4Å; L207-V209 HydrophobicContact CD2-CG2 4.5Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; V209-S211 PolarHBondContact O-N 3.31Å; V209-L232 HydrophobicContact CG1-CB 4.4Å; V209-L232 HydrophobicContact CG1-CD1 4.2Å; V209-L232 HydrophobicContact CG1-CD2 4.25Å; V209-F236 HydrophobicContact CB-CD2 4.42Å; V209-F236 HydrophobicContact CG1-CD2 3.84Å; V209-F236 HydrophobicContact CG1-CE2 3.99Å; V209-F236 HydrophobicContact CG2-CD1 3.92Å; V209-F236 HydrophobicContact CG2-CD2 3.86Å; V209-F236 HydrophobicContact CG2-CE1 4.1Å; V209-F236 HydrophobicContact CG2-CE2 4.02Å; V209-F236 HydrophobicContact CG2-CG 3.81Å; V209-F236 HydrophobicContact CG2-CZ 4.13Å; V209-I252 HydrophobicContact CG2-CG2 4.48Å; V209-T253 PolarHBondContact N-O 2.96Å; V209-M254 HydrophobicContact CB-CE 4.29Å; V209-M254 HydrophobicContact CB-SD 3.64Å; V209-M254 HydrophobicContact CG1-CE 3.94Å; V209-M254 HydrophobicContact CG1-SD 3.86Å; V209-M254 HydrophobicContact CG2-SD 4.14Å; V209-C255 PolarHBondContact O-N 3.43Å |
| 210 | V | 96.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.9 | 178 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | L160 N161 K229 L257 V287 | L160-V210 WeakPolarHBondContact O-CB 3.44Å; L160-V210 PolarHBondContact O-N 2.94Å; N161-V210 HydrophobicContact CB-CB 4.09Å; N161-V210 HydrophobicContact CB-CG2 3.78Å; V210-K229 PolarHBondContact O-NZ 2.77Å; V210-L257 HydrophobicContact CG1-CD1 3.51Å; V210-L257 HydrophobicContact CG1-CG 4.24Å; V210-V287 HydrophobicContact CG2-CG1 4.16Å |
| 211 | S | 93.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -163.4 | 174.4 | -166 | 0 | 0 | 0 | 0 | 111 | V209 C255 L257 | V209-S211 PolarHBondContact O-N 3.31Å; S211-C255 CarbonylContact C-O 3.31Å; S211-C255 VanDerWaalsContact C-O 3.24Å; S211-C255 VanDerWaalsContact CA-O 3.27Å; S211-C255 WeakPolarHBondContact CA-O 3.46Å; S211-C255 PolarHBondContact N-O 3.32Å; S211-L257 PolarHBondContact O-N 3.09Å |
| 212 | S | 88.4 | Confident | 87.8 | Confident | 14 Ų | 14 | 34.5 Ų | 34.5 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.6 | -176.3 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | L214 G215 Y225 L257 | S212-L214 PolarHBondContact O-N 3.29Å; S212-L214 VanDerWaalsContact O-N 3.13Å; S212-L214 PolarHBondContact OG-N 3.31Å; S212-G215 WeakPolarHBondContact O-CA 3.43Å; S212-G215 PolarHBondContact O-N 2.85Å; S212-Y225 WeakPolarHBondContact CB-OH 3.24Å; S212-L257 WeakPolarHBondContact CA-O 3.48Å; S212-L257 PolarHBondContact OG-O 3.31Å |
| 213 | L | 84.2 | Confident | 87.2 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 13% | 0.131 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -49.9 | -35.5 | 166.8 | -176.3 | 64.6 | 0 | 0 | 0 | 111.6 | G215 R216 V217 L257 F304 | L213-G215 PolarHBondContact O-N 3.34Å; L213-R216 PolarHBondContact O-N 2.96Å; L213-V217 HydrophobicContact CD1-CG2 3.95Å; L213-V217 HydrophobicContact CG-CG2 4.48Å; L213-V217 PolarHBondContact O-N 2.73Å; L213-L257 PolarHBondContact N-O 2.86Å; L213-L257 VanDerWaalsContact N-O 3.13Å; L213-F304 HydrophobicContact CB-CD2 4.08Å; L213-F304 HydrophobicContact CB-CE2 3.81Å; L213-F304 HydrophobicContact CB-CZ 4.46Å; L213-F304 HydrophobicContact CD1-CB 4.35Å; L213-F304 HydrophobicContact CD1-CD2 4.14Å; L213-F304 HydrophobicContact CD1-CE2 4.45Å; L213-F304 HydrophobicContact CD1-CG 4.16Å; L213-F304 HydrophobicContact CD2-CD1 4.44Å; L213-F304 HydrophobicContact CD2-CD2 4.41Å; L213-F304 HydrophobicContact CD2-CE1 4.06Å; L213-F304 HydrophobicContact CD2-CE2 3.95Å; L213-F304 HydrophobicContact CD2-CZ 3.79Å; L213-F304 HydrophobicContact CG-CD2 4.44Å; L213-F304 HydrophobicContact CG-CE2 4.29Å |
| 214 | L | 83.4 | Confident | 86.7 | Confident | 37 Ų | 37 | 31 Ų | 31 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -67.7 | -9.4 | 177 | -87 | 63.9 | 0 | 0 | 0 | 114.6 | S212 V217 T219 S222 Y225 S226 F230 | S212-L214 PolarHBondContact O-N 3.29Å; S212-L214 VanDerWaalsContact O-N 3.13Å; S212-L214 PolarHBondContact OG-N 3.31Å; L214-V217 WeakPolarHBondContact CA-O 3.38Å; L214-T219 HydrophobicContact CD1-CG2 3.83Å; L214-T219 WeakPolarHBondContact CD2-OG1 3.12Å; L214-T219 HydrophobicContact CG-CG2 3.98Å; L214-T219 VanDerWaalsContact CG-OG1 3.24Å; L214-T219 WeakPolarHBondContact CG-OG1 3.27Å; L214-S222 WeakPolarHBondContact CD2-OG 3.43Å; L214-Y225 HydrophobicContact CB-CD1 4.18Å; L214-Y225 HydrophobicContact CB-CE1 3.88Å; L214-Y225 HydrophobicContact CD2-CD1 3.81Å; L214-Y225 HydrophobicContact CD2-CE1 3.88Å; L214-S226 WeakPolarHBondContact O-CA 3.48Å; L214-S226 WeakPolarHBondContact O-CB 3.37Å; L214-S226 PolarHBondContact O-OG 3.28Å; L214-F230 VanDerWaalsContact O-CD2 3.23Å; L214-F230 WeakPolarHBondContact O-CD2 3.49Å; L214-F230 WeakPolarHBondContact O-CE2 3.35Å |
| 215 | G | 82.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -91.4 | -5.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S212 L213 F230 | S212-G215 WeakPolarHBondContact O-CA 3.43Å; S212-G215 PolarHBondContact O-N 2.85Å; L213-G215 PolarHBondContact O-N 3.34Å; G215-F230 WeakPolarHBondContact O-CD1 2.97Å; G215-F230 WeakPolarHBondContact O-CG 3.36Å |
| 216 | R | 83 | Confident | 85.7 | Confident | 56 Ų | 56 | 27.6 Ų | 27.6 | 21% | 0.211 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -28.2 | 178.6 | -67.8 | -61.8 | -169.8 | 106.5 | -10.4 | 112.6 | L213 F230 D233 V256 C308 R311 | L213-R216 PolarHBondContact O-N 2.96Å; R216-F230 WeakPolarHBondContact O-CZ 3.47Å; R216-D233 WeakPolarHBondContact CD-OD2 3.28Å; R216-D233 IonicContact CZ-OD1 3.13Å; R216-D233 IonicContact CZ-OD2 3.42Å; R216-D233 IonicContact NE-OD1 2.94Å; R216-D233 PolarHBondContact NE-OD1 3.11Å; R216-D233 IonicContact NE-OD2 3.02Å; R216-D233 PolarHBondContact NE-OD2 3.47Å; R216-D233 IonicContact NH2-OD1 2.68Å; R216-D233 PolarHBondContact NH2-OD1 2.91Å; R216-D233 IonicContact NH2-OD2 3.67Å; R216-V256 HydrophobicContact CG-CG1 4.37Å; R216-V256 HydrophobicContact CG-CG2 3.98Å; R216-C308 VanDerWaalsContact CB-SG 3.53Å; R216-R311 WeakPolarHBondContact O-CD 3.47Å; R216-R311 PolarHBondContact O-NH1 2.96Å |
| 217 | V | 80.1 | Confident | 85.3 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -126.5 | 125.3 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | L213 L214 T219 I322 | L213-V217 HydrophobicContact CD1-CG2 3.95Å; L213-V217 HydrophobicContact CG-CG2 4.48Å; L213-V217 PolarHBondContact O-N 2.73Å; L214-V217 WeakPolarHBondContact CA-O 3.38Å; V217-T219 PolarHBondContact O-N 3.31Å; V217-I322 HydrophobicContact CG1-CD1 3.61Å |
| 218 | P | 76.8 | Confident | 85.1 | Confident | 64 Ų | 64 | 29.7 Ų | 29.7 | 42% | 0.416 | 17% | 0.171 | S | C | . | . | trans | -67.8 | 135.1 | 174.9 | 29.3 | -33 | 0 | 0 | 0 | 109 | ||||
| 219 | T | 69.5 | Low | 84.8 | Confident | 36 Ų | 36 | 29.8 Ų | 29.8 | 22% | 0.221 | 17% | 0.172 | C | C | . | . | trans | -130.9 | 156.4 | 176 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | L214 V217 S222 | L214-T219 HydrophobicContact CD1-CG2 3.83Å; L214-T219 WeakPolarHBondContact CD2-OG1 3.12Å; L214-T219 HydrophobicContact CG-CG2 3.98Å; L214-T219 VanDerWaalsContact CG-OG1 3.24Å; L214-T219 WeakPolarHBondContact CG-OG1 3.27Å; V217-T219 PolarHBondContact O-N 3.31Å; T219-S222 PolarHBondContact OG1-OG 2.83Å; T219-S222 VanDerWaalsContact OG1-OG 3.12Å | ||
| 220 | S | 73.3 | Confident | 84.5 | Confident | 60 Ų | 60 | 32.8 Ų | 32.8 | 42% | 0.42 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 156.3 | -179.9 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | S222 | S220-S222 PolarHBondContact O-N 2.85Š|
| 221 | F | 70.6 | Confident | 84.6 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | -8.6 | 171.6 | -46.8 | -65.6 | 0 | 0 | 0 | 117.7 | R173 V272 L326 A331 | R173-F221 VanDerWaalsContact NH2-CA 3.26Å; R173-F221 PolarHBondContact NH2-O 2.84Å; F221-V272 HydrophobicContact CD2-CG1 4.04Å; F221-L326 HydrophobicContact CD2-CD2 4.27Å; F221-L326 HydrophobicContact CE2-CD1 4.21Å; F221-L326 HydrophobicContact CE2-CD2 4.44Å; F221-A331 HydrophobicContact CD1-CB 4.24Å; F221-A331 HydrophobicContact CD2-CB 4.08Å; F221-A331 HydrophobicContact CE1-CB 3.73Å; F221-A331 HydrophobicContact CE2-CB 3.55Å; F221-A331 HydrophobicContact CG-CB 4.4Å; F221-A331 HydrophobicContact CZ-CB 3.36Å |
| 222 | S | 76 | Confident | 84.8 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | trans | -116.3 | 29 | -179.3 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | L214 T219 S220 Y225 S226 | L214-S222 WeakPolarHBondContact CD2-OG 3.43Å; T219-S222 PolarHBondContact OG1-OG 2.83Å; T219-S222 VanDerWaalsContact OG1-OG 3.12Å; S220-S222 PolarHBondContact O-N 2.85Å; S222-Y225 PolarHBondContact O-N 3.36Å; S222-S226 WeakPolarHBondContact O-CB 3.48Å; S222-S226 PolarHBondContact O-N 2.97Å | ||
| 223 | T | 84.6 | Confident | 85 | Confident | 85 Ų | 85 | 34.8 Ų | 34.8 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -51 | -51.5 | -167.1 | -46.3 | 0 | 0 | 0 | 0 | 114.6 | Y225 S226 A227 | T223-Y225 PolarHBondContact O-N 3.24Å; T223-S226 PolarHBondContact O-N 3.09Å; T223-A227 PolarHBondContact O-N 3.08Å |
| 224 | P | 87.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.071 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | -177.6 | -20.8 | 35.1 | 0 | 0 | 0 | 113.2 | T178 L181 A227 A228 | T178-P224 HydrophobicContact CG2-CB 4.23Å; L181-P224 HydrophobicContact CD1-CB 3.74Å; P224-A227 PolarHBondContact O-N 3.39Å; P224-A228 PolarHBondContact O-N 3.21Å; P224-A228 VanDerWaalsContact O-N 3.13Å |
| 225 | Y | 86.4 | Confident | 86.3 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 175 | 173.1 | -96.4 | 0 | 0 | 0 | 111.6 | S212 L214 S222 T223 A228 K229 | S212-Y225 WeakPolarHBondContact CB-OH 3.24Å; L214-Y225 HydrophobicContact CB-CD1 4.18Å; L214-Y225 HydrophobicContact CB-CE1 3.88Å; L214-Y225 HydrophobicContact CD2-CD1 3.81Å; L214-Y225 HydrophobicContact CD2-CE1 3.88Å; S222-Y225 PolarHBondContact O-N 3.36Å; T223-Y225 PolarHBondContact O-N 3.24Å; Y225-A228 PolarHBondContact O-N 3.47Å; Y225-K229 HydrophobicContact CD1-CG 4.4Å; Y225-K229 HydrophobicContact CD2-CG 4.45Å; Y225-K229 HydrophobicContact CE1-CG 3.91Å; Y225-K229 HydrophobicContact CE2-CD 4.43Å; Y225-K229 HydrophobicContact CE2-CG 3.95Å; Y225-K229 PolarHBondContact O-N 3.15Å; Y225-K229 WeakPolarHBondContact OH-CE 3.4Å |
| 226 | S | 88.8 | Confident | 87.1 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | L214 S222 T223 A228 K229 F230 | L214-S226 WeakPolarHBondContact O-CA 3.48Å; L214-S226 WeakPolarHBondContact O-CB 3.37Å; L214-S226 PolarHBondContact O-OG 3.28Å; S222-S226 WeakPolarHBondContact O-CB 3.48Å; S222-S226 PolarHBondContact O-N 2.97Å; T223-S226 PolarHBondContact O-N 3.09Å; S226-A228 VanDerWaalsContact C-N 3.35Å; S226-A228 PolarHBondContact O-N 3.36Å; S226-K229 PolarHBondContact O-N 2.88Å; S226-K229 VanDerWaalsContact O-N 3.16Å; S226-F230 WeakPolarHBondContact O-CB 3.37Å; S226-F230 VanDerWaalsContact O-CD2 3.29Å; S226-F230 WeakPolarHBondContact O-CD2 3.08Å; S226-F230 PolarHBondContact O-N 3Å; S226-F230 WeakPolarHBondContact OG-CE2 3.35Å |
| 227 | A | 91.4 | Very high | 87.7 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.2 | -49.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T223 P224 K229 F230 A231 | T223-A227 PolarHBondContact O-N 3.08Å; P224-A227 PolarHBondContact O-N 3.39Å; A227-K229 PolarHBondContact O-N 3Å; A227-F230 PolarHBondContact O-N 2.94Å; A227-A231 PolarHBondContact O-N 3.32Å |
| 228 | A | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M182 N185 P224 Y225 S226 F230 A231 L232 | M182-A228 WeakPolarHBondContact SD-CA 3.42Å; M182-A228 HydrophobicContact SD-CB 3.68Å; N185-A228 HydrophobicContact CB-CB 3.81Å; P224-A228 PolarHBondContact O-N 3.21Å; P224-A228 VanDerWaalsContact O-N 3.13Å; Y225-A228 PolarHBondContact O-N 3.47Å; S226-A228 VanDerWaalsContact C-N 3.35Å; S226-A228 PolarHBondContact O-N 3.36Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.48Å; A228-A231 WeakPolarHBondContact O-CB 3.49Å; A228-A231 PolarHBondContact O-N 3.03Å; A228-L232 PolarHBondContact O-N 3.46Å |
| 229 | K | 92.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.5 | -28.1 | 178.9 | -68 | -56.3 | -170.8 | -176.5 | 0 | 113.4 | V210 Y225 S226 A227 L232 | V210-K229 PolarHBondContact O-NZ 2.77Å; Y225-K229 HydrophobicContact CD1-CG 4.4Å; Y225-K229 HydrophobicContact CD2-CG 4.45Å; Y225-K229 HydrophobicContact CE1-CG 3.91Å; Y225-K229 HydrophobicContact CE2-CD 4.43Å; Y225-K229 HydrophobicContact CE2-CG 3.95Å; Y225-K229 PolarHBondContact O-N 3.15Å; Y225-K229 WeakPolarHBondContact OH-CE 3.4Å; S226-K229 PolarHBondContact O-N 2.88Å; S226-K229 VanDerWaalsContact O-N 3.16Å; A227-K229 PolarHBondContact O-N 3Å; K229-L232 HydrophobicContact CD-CD1 3.58Å |
| 230 | F | 93.9 | Very high | 90.9 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.8 | -39.1 | 169.7 | -92.8 | -96.9 | 0 | 0 | 0 | 111.6 | L214 G215 R216 S226 A227 A228 L232 D233 G234 | L214-F230 VanDerWaalsContact O-CD2 3.23Å; L214-F230 WeakPolarHBondContact O-CD2 3.49Å; L214-F230 WeakPolarHBondContact O-CE2 3.35Å; G215-F230 WeakPolarHBondContact O-CD1 2.97Å; G215-F230 WeakPolarHBondContact O-CG 3.36Å; R216-F230 WeakPolarHBondContact O-CZ 3.47Å; S226-F230 WeakPolarHBondContact O-CB 3.37Å; S226-F230 VanDerWaalsContact O-CD2 3.29Å; S226-F230 WeakPolarHBondContact O-CD2 3.08Å; S226-F230 PolarHBondContact O-N 3Å; S226-F230 WeakPolarHBondContact OG-CE2 3.35Å; A227-F230 PolarHBondContact O-N 2.94Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.48Å; F230-L232 VanDerWaalsContact C-N 3.27Å; F230-L232 PolarHBondContact O-N 2.95Å; F230-D233 WeakPolarHBondContact O-CB 3.48Å; F230-D233 PolarHBondContact O-N 3.34Å; F230-D233 VanDerWaalsContact O-N 3.08Å; F230-G234 PolarHBondContact O-N 3.25Å |
| 231 | A | 96.9 | Very high | 92 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 22% | 0.223 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M182 F186 A227 A228 D233 G234 F235 | M182-A231 HydrophobicContact CE-CB 4.04Å; F186-A231 HydrophobicContact CD1-CB 4.32Å; F186-A231 HydrophobicContact CD2-CB 3.55Å; F186-A231 HydrophobicContact CE1-CB 4.46Å; F186-A231 HydrophobicContact CE2-CB 3.73Å; F186-A231 HydrophobicContact CG-CB 3.87Å; F186-A231 HydrophobicContact CZ-CB 4.19Å; A227-A231 PolarHBondContact O-N 3.32Å; A228-A231 WeakPolarHBondContact O-CB 3.49Å; A228-A231 PolarHBondContact O-N 3.03Å; A231-D233 VanDerWaalsContact C-N 3.32Å; A231-D233 PolarHBondContact O-N 3.04Å; A231-G234 PolarHBondContact O-N 2.77Å; A231-F235 WeakPolarHBondContact O-CB 3.29Å; A231-F235 PolarHBondContact O-N 3.37Å |
| 232 | L | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -43.7 | 172.7 | -65 | 174.7 | 0 | 0 | 0 | 112.4 | F186 Y189 V209 A228 K229 F230 F236 M254 | F186-L232 HydrophobicContact CD2-CD2 4.02Å; F186-L232 HydrophobicContact CD2-CG 4.45Å; Y189-L232 HydrophobicContact CD2-CD1 4.37Å; Y189-L232 HydrophobicContact CD2-CD2 3.51Å; Y189-L232 HydrophobicContact CE2-CD1 4.2Å; Y189-L232 HydrophobicContact CE2-CD2 4.15Å; Y189-L232 HydrophobicContact CG-CD2 3.88Å; V209-L232 HydrophobicContact CG1-CB 4.4Å; V209-L232 HydrophobicContact CG1-CD1 4.2Å; V209-L232 HydrophobicContact CG1-CD2 4.25Å; A228-L232 PolarHBondContact O-N 3.46Å; K229-L232 HydrophobicContact CD-CD1 3.58Å; F230-L232 VanDerWaalsContact C-N 3.27Å; F230-L232 PolarHBondContact O-N 2.95Å; L232-F236 HydrophobicContact CB-CD2 4.25Å; L232-F236 HydrophobicContact CD2-CD2 4.02Å; L232-F236 HydrophobicContact CD2-CE2 3.58Å; L232-F236 WeakPolarHBondContact O-CB 3.48Å; L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 2.74Å; L232-M254 HydrophobicContact CB-CE 4.16Å |
| 233 | D | 93.8 | Very high | 94.3 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | -178.3 | -161.3 | 50 | 0 | 0 | 0 | 112 | R216 F230 A231 G237 | R216-D233 WeakPolarHBondContact CD-OD2 3.28Å; R216-D233 IonicContact CZ-OD1 3.13Å; R216-D233 IonicContact CZ-OD2 3.42Å; R216-D233 IonicContact NE-OD1 2.94Å; R216-D233 PolarHBondContact NE-OD1 3.11Å; R216-D233 IonicContact NE-OD2 3.02Å; R216-D233 PolarHBondContact NE-OD2 3.47Å; R216-D233 IonicContact NH2-OD1 2.68Å; R216-D233 PolarHBondContact NH2-OD1 2.91Å; R216-D233 IonicContact NH2-OD2 3.67Å; F230-D233 WeakPolarHBondContact O-CB 3.48Å; F230-D233 PolarHBondContact O-N 3.34Å; F230-D233 VanDerWaalsContact O-N 3.08Å; A231-D233 VanDerWaalsContact C-N 3.32Å; A231-D233 PolarHBondContact O-N 3.04Å; D233-G237 WeakPolarHBondContact O-CA 3.49Å; D233-G237 PolarHBondContact O-N 3.4Å |
| 234 | G | 96.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.3 | -53.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F230 A231 G237 S238 | F230-G234 PolarHBondContact O-N 3.25Å; A231-G234 PolarHBondContact O-N 2.77Å; G234-G237 PolarHBondContact O-N 3.46Å; G234-S238 PolarHBondContact O-N 3.28Å |
| 235 | F | 98.5 | Very high | 95.2 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -55.4 | -176 | -177.4 | -89.1 | 0 | 0 | 0 | 112.4 | F186 V190 A231 G237 S238 L239 | F186-F235 HydrophobicContact CE2-CB 3.63Å; F186-F235 HydrophobicContact CE2-CD2 4.48Å; F186-F235 HydrophobicContact CE2-CG 4.07Å; F186-F235 HydrophobicContact CZ-CB 4.07Å; F186-F235 HydrophobicContact CZ-CD2 4.22Å; F186-F235 HydrophobicContact CZ-CG 4.28Å; V190-F235 HydrophobicContact CB-CE1 4.42Å; V190-F235 HydrophobicContact CB-CZ 4.21Å; V190-F235 HydrophobicContact CG1-CE1 4.29Å; V190-F235 HydrophobicContact CG1-CE2 3.97Å; V190-F235 HydrophobicContact CG1-CZ 3.63Å; V190-F235 HydrophobicContact CG2-CD1 3.96Å; V190-F235 HydrophobicContact CG2-CD2 4.06Å; V190-F235 HydrophobicContact CG2-CE1 3.79Å; V190-F235 HydrophobicContact CG2-CE2 3.88Å; V190-F235 HydrophobicContact CG2-CG 4.11Å; V190-F235 HydrophobicContact CG2-CZ 3.76Å; A231-F235 WeakPolarHBondContact O-CB 3.29Å; A231-F235 PolarHBondContact O-N 3.37Å; F235-G237 VanDerWaalsContact C-N 3.25Å; F235-G237 PolarHBondContact O-N 2.99Å; F235-S238 PolarHBondContact O-N 3.07Å; F235-S238 VanDerWaalsContact O-N 3.15Å; F235-L239 HydrophobicContact CE1-CD2 4.21Å; F235-L239 PolarHBondContact O-N 2.76Å |
| 236 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73 | -20.9 | -178.6 | -70.6 | -69.1 | 0 | 0 | 0 | 112.7 | L160 Y189 T193 L207 V209 L232 L239 R240 I252 M254 | L160-F236 HydrophobicContact CD1-CZ 3.93Å; Y189-F236 HydrophobicContact CD2-CE2 4.25Å; T193-F236 HydrophobicContact CG2-CE1 4.07Å; T193-F236 WeakPolarHBondContact OG1-CE1 3.09Å; T193-F236 WeakPolarHBondContact OG1-CZ 3.45Å; L207-F236 HydrophobicContact CD2-CD1 3.76Å; L207-F236 HydrophobicContact CD2-CE1 3.55Å; V209-F236 HydrophobicContact CB-CD2 4.42Å; V209-F236 HydrophobicContact CG1-CD2 3.84Å; V209-F236 HydrophobicContact CG1-CE2 3.99Å; V209-F236 HydrophobicContact CG2-CD1 3.92Å; V209-F236 HydrophobicContact CG2-CD2 3.86Å; V209-F236 HydrophobicContact CG2-CE1 4.1Å; V209-F236 HydrophobicContact CG2-CE2 4.02Å; V209-F236 HydrophobicContact CG2-CG 3.81Å; V209-F236 HydrophobicContact CG2-CZ 4.13Å; L232-F236 HydrophobicContact CB-CD2 4.25Å; L232-F236 HydrophobicContact CD2-CD2 4.02Å; L232-F236 HydrophobicContact CD2-CE2 3.58Å; L232-F236 WeakPolarHBondContact O-CB 3.48Å; L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 2.74Å; F236-L239 HydrophobicContact CD1-CD2 4.18Å; F236-L239 HydrophobicContact CE1-CD2 4.33Å; F236-R240 WeakPolarHBondContact O-CB 3.35Å; F236-R240 PolarHBondContact O-N 3.31Å; F236-I252 HydrophobicContact CB-CG2 4.06Å; F236-I252 HydrophobicContact CD1-CG2 4.29Å; F236-M254 HydrophobicContact CB-SD 3.68Å; F236-M254 HydrophobicContact CG-SD 4.34Å |
| 237 | G | 96.4 | Very high | 96.1 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D233 G234 F235 | D233-G237 WeakPolarHBondContact O-CA 3.49Å; D233-G237 PolarHBondContact O-N 3.4Å; G234-G237 PolarHBondContact O-N 3.46Å; F235-G237 VanDerWaalsContact C-N 3.25Å; F235-G237 PolarHBondContact O-N 2.99Å |
| 238 | S | 97.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 42% | 0.42 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -51.4 | 176.2 | -164.6 | 0 | 0 | 0 | 0 | 111.5 | G234 F235 R240 R241 E242 | G234-S238 PolarHBondContact O-N 3.28Å; F235-S238 PolarHBondContact O-N 3.07Å; F235-S238 VanDerWaalsContact O-N 3.15Å; S238-R240 PolarHBondContact O-N 3.07Å; S238-R241 WeakPolarHBondContact O-CA 3.37Å; S238-R241 WeakPolarHBondContact O-CB 3.37Å; S238-R241 PolarHBondContact O-N 3.13Å; S238-E242 PolarHBondContact O-N 2.98Å; S238-E242 PolarHBondContact OG-OE1 2.97Å |
| 239 | L | 98.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.7 | -40.5 | -179.6 | -179 | 61.3 | 0 | 0 | 0 | 111.7 | T193 F235 F236 R241 E242 L243 I252 | T193-L239 HydrophobicContact CG2-CD2 3.76Å; F235-L239 HydrophobicContact CE1-CD2 4.21Å; F235-L239 PolarHBondContact O-N 2.76Å; F236-L239 HydrophobicContact CD1-CD2 4.18Å; F236-L239 HydrophobicContact CE1-CD2 4.33Å; L239-R241 PolarHBondContact O-N 2.93Å; L239-E242 PolarHBondContact O-N 3.28Å; L239-L243 HydrophobicContact CD1-CD1 4.39Å; L239-L243 HydrophobicContact CD1-CD2 4.44Å; L239-L243 HydrophobicContact CD1-CG 4.17Å; L239-L243 HydrophobicContact CG-CD1 4.16Å; L239-L243 HydrophobicContact CG-CG 4.37Å; L239-L243 VanDerWaalsContact O-CG 3.28Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 3.31Å; L239-I252 HydrophobicContact CB-CD1 4.12Å; L239-I252 HydrophobicContact CD2-CD1 3.85Å; L239-I252 HydrophobicContact CG-CD1 3.77Å |
| 240 | R | 97.6 | Very high | 96.8 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -37.3 | 175.8 | -170.8 | -170.5 | -64.7 | 106.8 | -4.8 | 112.2 | F236 S238 D244 I252 A296 | F236-R240 WeakPolarHBondContact O-CB 3.35Å; F236-R240 PolarHBondContact O-N 3.31Å; S238-R240 PolarHBondContact O-N 3.07Å; R240-D244 WeakPolarHBondContact O-CB 3.23Å; R240-D244 PolarHBondContact O-N 3.16Å; R240-I252 HydrophobicContact CB-CB 4.31Å; R240-I252 HydrophobicContact CB-CD1 4.11Å; R240-I252 HydrophobicContact CB-CG1 4.49Å; R240-I252 HydrophobicContact CG-CB 4.37Å; R240-I252 VanDerWaalsContact CZ-O 3.29Å; R240-I252 PolarHBondContact NE-O 3.09Å; R240-I252 PolarHBondContact NH2-O 2.91Å; R240-A296 PolarHBondContact NH2-O 3.45Å |
| 241 | R | 96.8 | Very high | 97 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 46% | 0.457 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -76.1 | -36 | 178.5 | -66.5 | -75.9 | 66 | 71.3 | 0.5 | 112.2 | S238 L239 D244 V245 | S238-R241 WeakPolarHBondContact O-CA 3.37Å; S238-R241 WeakPolarHBondContact O-CB 3.37Å; S238-R241 PolarHBondContact O-N 3.13Å; L239-R241 PolarHBondContact O-N 2.93Å; R241-D244 IonicContact CZ-OD2 3.44Å; R241-D244 IonicContact NE-OD2 3.25Å; R241-D244 PolarHBondContact NE-OD2 3.36Å; R241-D244 IonicContact NH2-OD1 3.04Å; R241-D244 IonicContact NH2-OD2 2.77Å; R241-D244 PolarHBondContact NH2-OD2 3.45Å; R241-D244 PolarHBondContact O-N 3.31Å; R241-V245 WeakPolarHBondContact O-CG2 3.23Å; R241-V245 PolarHBondContact O-N 3.25Å |
| 242 | E | 97.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 173.8 | -69.2 | 162.2 | -142.2 | 0 | 0 | 110.9 | S238 L239 D244 V245 Q246 | S238-E242 PolarHBondContact O-N 2.98Å; S238-E242 PolarHBondContact OG-OE1 2.97Å; L239-E242 PolarHBondContact O-N 3.28Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 2.84Å; E242-V245 PolarHBondContact O-N 2.85Å; E242-Q246 WeakPolarHBondContact O-CB 3.34Å; E242-Q246 VanDerWaalsContact O-CG 3.23Å; E242-Q246 WeakPolarHBondContact O-CG 3.17Å; E242-Q246 PolarHBondContact O-N 3.19Å |
| 243 | L | 97.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 178.1 | -63.7 | 175.4 | 0 | 0 | 0 | 112.8 | L197 L239 Q246 D247 V248 V250 I252 | L197-L243 HydrophobicContact CD1-CD1 4.34Å; L197-L243 HydrophobicContact CD1-CD2 4.31Å; L197-L243 HydrophobicContact CD2-CD2 4.36Å; L239-L243 HydrophobicContact CD1-CD1 4.39Å; L239-L243 HydrophobicContact CD1-CD2 4.44Å; L239-L243 HydrophobicContact CD1-CG 4.17Å; L239-L243 HydrophobicContact CG-CD1 4.16Å; L239-L243 HydrophobicContact CG-CG 4.37Å; L239-L243 VanDerWaalsContact O-CG 3.28Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 3.31Å; L243-Q246 CarbonylContact O-C 3.46Å; L243-Q246 PolarHBondContact O-N 3.01Å; L243-D247 PolarHBondContact O-N 3.47Å; L243-D247 VanDerWaalsContact O-N 3.13Å; L243-V248 HydrophobicContact CB-CB 4.19Å; L243-V248 HydrophobicContact CD2-CB 3.9Å; L243-V248 HydrophobicContact CD2-CG1 3.81Å; L243-V248 HydrophobicContact CD2-CG2 4.4Å; L243-V248 PolarHBondContact O-N 3.18Å; L243-V250 HydrophobicContact CD1-CB 4.17Å; L243-V250 HydrophobicContact CD1-CG1 4.48Å; L243-I252 HydrophobicContact CD1-CD1 3.89Å; L243-I252 HydrophobicContact CD1-CG1 4.36Å |
| 244 | D | 94.4 | Very high | 97.3 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.8 | -175.6 | 53.5 | 0 | 0 | 0 | 112.1 | R240 R241 E242 Q246 D247 | R240-D244 WeakPolarHBondContact O-CB 3.23Å; R240-D244 PolarHBondContact O-N 3.16Å; R241-D244 IonicContact CZ-OD2 3.44Å; R241-D244 IonicContact NE-OD2 3.25Å; R241-D244 PolarHBondContact NE-OD2 3.36Å; R241-D244 IonicContact NH2-OD1 3.04Å; R241-D244 IonicContact NH2-OD2 2.77Å; R241-D244 PolarHBondContact NH2-OD2 3.45Å; R241-D244 PolarHBondContact O-N 3.31Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 2.84Å; D244-Q246 VanDerWaalsContact C-N 3.27Å; D244-Q246 PolarHBondContact O-N 3.13Å; D244-D247 PolarHBondContact O-N 3.46Å |
| 245 | V | 96.8 | Very high | 97.3 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 78% | 0.776 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -68.4 | -29 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | R241 E242 D247 | R241-V245 WeakPolarHBondContact O-CG2 3.23Å; R241-V245 PolarHBondContact O-N 3.25Å; E242-V245 PolarHBondContact O-N 2.85Å; V245-D247 VanDerWaalsContact C-N 3.32Å |
| 246 | Q | 96.9 | Very high | 96.9 | Very high | 127 Ų | 127 | 48.8 Ų | 48.8 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 0.8 | 177.7 | -68.7 | 171.8 | -1.5 | 0 | 0 | 113.8 | E242 L243 D244 V248 | E242-Q246 WeakPolarHBondContact O-CB 3.34Å; E242-Q246 VanDerWaalsContact O-CG 3.23Å; E242-Q246 WeakPolarHBondContact O-CG 3.17Å; E242-Q246 PolarHBondContact O-N 3.19Å; L243-Q246 CarbonylContact O-C 3.46Å; L243-Q246 PolarHBondContact O-N 3.01Å; D244-Q246 VanDerWaalsContact C-N 3.27Å; D244-Q246 PolarHBondContact O-N 3.13Å; Q246-V248 HydrophobicContact CB-CG2 3.92Å; Q246-V248 PolarHBondContact O-N 2.86Å |
| 247 | D | 95.7 | Very high | 96.5 | Very high | 153 Ų | 153 | 49 Ų | 49 | 82% | 0.818 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 33.6 | -174.5 | -160.9 | 34.5 | 0 | 0 | 0 | 113.7 | L243 D244 V245 | L243-D247 PolarHBondContact O-N 3.47Å; L243-D247 VanDerWaalsContact O-N 3.13Å; D244-D247 PolarHBondContact O-N 3.46Å; V245-D247 VanDerWaalsContact C-N 3.32Å |
| 248 | V | 97.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 22% | 0.218 | 25% | 0.254 | C | S | . | . | trans | -91.1 | 113.7 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | T201 L243 Q246 V250 | T201-V248 HydrophobicContact CG2-CG1 3.89Å; T201-V248 WeakPolarHBondContact OG1-CG1 3.47Å; L243-V248 HydrophobicContact CB-CB 4.19Å; L243-V248 HydrophobicContact CD2-CB 3.9Å; L243-V248 HydrophobicContact CD2-CG1 3.81Å; L243-V248 HydrophobicContact CD2-CG2 4.4Å; L243-V248 PolarHBondContact O-N 3.18Å; Q246-V248 HydrophobicContact CB-CG2 3.92Å; Q246-V248 PolarHBondContact O-N 2.86Å; V248-V250 HydrophobicContact CG1-CB 4.46Å; V248-V250 HydrophobicContact CG1-CG2 3.95Å; V248-V250 PolarHBondContact O-N 3.13Å | ||
| 249 | N | 97 | Very high | 94.3 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 46% | 0.46 | 25% | 0.246 | S | C | . | . | trans | -81.3 | 57.9 | -174.1 | -167.1 | 4.6 | 0 | 0 | 0 | 114.1 | K204 R294 | K204-N249 CarbonylContact C-O 3.24Å; K204-N249 VanDerWaalsContact C-O 3.31Å; K204-N249 WeakPolarHBondContact CA-O 3.23Å; K204-N249 HydrophobicContact CB-CB 4.34Å; K204-N249 WeakPolarHBondContact CB-O 3.38Å; K204-N249 HydrophobicContact CG-CB 4.25Å; N249-R294 PolarHBondContact O-NH2 2.84Å; N249-R294 PolarHBondContact OD1-NH2 3.19Å | ||
| 250 | V | 98.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | trans | -110.7 | 122.7 | 171.8 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | L197 L200 L243 V248 | L197-V250 HydrophobicContact CD1-CG1 4.44Å; L197-V250 HydrophobicContact CD1-CG2 4.44Å; L200-V250 HydrophobicContact CB-CG1 4.15Å; L200-V250 HydrophobicContact CB-CG2 4.09Å; L200-V250 WeakPolarHBondContact O-CG2 3.23Å; L243-V250 HydrophobicContact CD1-CB 4.17Å; L243-V250 HydrophobicContact CD1-CG1 4.48Å; V248-V250 HydrophobicContact CG1-CB 4.46Å; V248-V250 HydrophobicContact CG1-CG2 3.95Å; V248-V250 PolarHBondContact O-N 3.13Å | ||
| 251 | A | 97.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 139.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | G205 S206 L207 R294 | G205-A251 PolarHBondContact O-N 2.74Å; S206-A251 CarbonylContact C-O 3.58Å; S206-A251 WeakPolarHBondContact CA-O 3.45Å; L207-A251 PolarHBondContact N-O 3.29Å; A251-R294 HydrophobicContact CB-CB 3.64Å; A251-R294 HydrophobicContact CB-CG 3.79Å; A251-R294 VanDerWaalsContact CB-CZ 3.44Å |
| 252 | I | 98.5 | Very high | 88.9 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.7 | 171 | -54.6 | -173.2 | 0 | 0 | 0 | 109.2 | L207 V209 F236 L239 R240 L243 | L207-I252 HydrophobicContact CB-CG1 4.26Å; L207-I252 HydrophobicContact CD2-CD1 4.14Å; L207-I252 HydrophobicContact CD2-CG1 4.16Å; L207-I252 HydrophobicContact CD2-CG2 4.35Å; L207-I252 CarbonylContact O-C 3.38Å; L207-I252 WeakPolarHBondContact O-CA 3.24Å; V209-I252 HydrophobicContact CG2-CG2 4.48Å; F236-I252 HydrophobicContact CB-CG2 4.06Å; F236-I252 HydrophobicContact CD1-CG2 4.29Å; L239-I252 HydrophobicContact CB-CD1 4.12Å; L239-I252 HydrophobicContact CD2-CD1 3.85Å; L239-I252 HydrophobicContact CG-CD1 3.77Å; R240-I252 HydrophobicContact CB-CB 4.31Å; R240-I252 HydrophobicContact CB-CD1 4.11Å; R240-I252 HydrophobicContact CB-CG1 4.49Å; R240-I252 HydrophobicContact CG-CB 4.37Å; R240-I252 VanDerWaalsContact CZ-O 3.29Å; R240-I252 PolarHBondContact NE-O 3.09Å; R240-I252 PolarHBondContact NH2-O 2.91Å; L243-I252 HydrophobicContact CD1-CD1 3.89Å; L243-I252 HydrophobicContact CD1-CG1 4.36Å |
| 253 | T | 98.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.2 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | L207 V209 G290 A295 V298 | L207-T253 PolarHBondContact O-N 3.34Å; V209-T253 PolarHBondContact N-O 2.96Å; T253-G290 PolarHBondContact OG1-O 2.8Å; T253-A295 WeakPolarHBondContact CA-O 3.34Å; T253-A295 VanDerWaalsContact CB-O 3.22Å; T253-A295 WeakPolarHBondContact CB-O 3.24Å; T253-A295 VanDerWaalsContact CG2-O 3.23Å; T253-A295 WeakPolarHBondContact CG2-O 3.29Å; T253-A295 PolarHBondContact OG1-O 2.94Å; T253-V298 HydrophobicContact CG2-CG2 3.81Å |
| 254 | M | 97.3 | Very high | 84.5 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.4 | 174.2 | -67.7 | -60.6 | -61 | 0 | 0 | 111 | V209 L232 F236 A296 G297 V298 | V209-M254 HydrophobicContact CB-CE 4.29Å; V209-M254 HydrophobicContact CB-SD 3.64Å; V209-M254 HydrophobicContact CG1-CE 3.94Å; V209-M254 HydrophobicContact CG1-SD 3.86Å; V209-M254 HydrophobicContact CG2-SD 4.14Å; L232-M254 HydrophobicContact CB-CE 4.16Å; F236-M254 HydrophobicContact CB-SD 3.68Å; F236-M254 HydrophobicContact CG-SD 4.34Å; M254-A296 PolarHBondContact N-O 3.23Å; M254-A296 VanDerWaalsContact N-O 3.09Å; M254-G297 CarbonylContact O-C 3.54Å; M254-G297 WeakPolarHBondContact O-CA 3.39Å; M254-V298 PolarHBondContact O-N 3.19Å |
| 255 | C | 95.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110 | -179.7 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | V209 S211 V287 V298 | V209-C255 PolarHBondContact O-N 3.43Å; S211-C255 CarbonylContact C-O 3.31Å; S211-C255 VanDerWaalsContact C-O 3.24Å; S211-C255 VanDerWaalsContact CA-O 3.27Å; S211-C255 WeakPolarHBondContact CA-O 3.46Å; S211-C255 PolarHBondContact N-O 3.32Å; C255-V287 HydrophobicContact CB-CG2 3.91Å; C255-V298 CarbonylContact C-O 3.52Å; C255-V298 HydrophobicContact CB-CB 4.29Å |
| 256 | V | 91.9 | Very high | 80.7 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 103.2 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | R216 V298 F299 Y300 | R216-V256 HydrophobicContact CG-CG1 4.37Å; R216-V256 HydrophobicContact CG-CG2 3.98Å; V256-V298 PolarHBondContact N-O 3.41Å; V256-F299 HydrophobicContact CB-CD1 3.66Å; V256-F299 HydrophobicContact CB-CE1 3.86Å; V256-F299 HydrophobicContact CB-CG 4.4Å; V256-F299 HydrophobicContact CG1-CD1 3.94Å; V256-F299 HydrophobicContact CG1-CE1 4.15Å; V256-F299 HydrophobicContact CG2-CD1 4.06Å; V256-F299 HydrophobicContact CG2-CE1 3.72Å; V256-F299 HydrophobicContact CG2-CZ 4.28Å; V256-Y300 PolarHBondContact O-N 3.4Å |
| 257 | L | 88.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 151.3 | -176.5 | -54 | -178.6 | 0 | 0 | 0 | 112.8 | V88 V210 S211 S212 L213 V287 Y300 | V88-L257 HydrophobicContact CG1-CD1 4.32Å; V210-L257 HydrophobicContact CG1-CD1 3.51Å; V210-L257 HydrophobicContact CG1-CG 4.24Å; S211-L257 PolarHBondContact O-N 3.09Å; S212-L257 WeakPolarHBondContact CA-O 3.48Å; S212-L257 PolarHBondContact OG-O 3.31Å; L213-L257 PolarHBondContact N-O 2.86Å; L213-L257 VanDerWaalsContact N-O 3.13Å; L257-V287 HydrophobicContact CD1-CG2 3.97Å; L257-V287 HydrophobicContact CD2-CG2 4Å; L257-V287 HydrophobicContact CG-CG2 4.47Å; L257-Y300 WeakPolarHBondContact CA-O 3.44Å |
| 258 | G | 80.4 | Confident | 76.7 | Confident | 11 Ų | 11 | 45 Ų | 45 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | trans | -86.7 | -179 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | R260 Y300 | G258-R260 WeakPolarHBondContact O-CG 3.47Å; G258-Y300 PolarHBondContact N-O 3.25Å | ||
| 259 | L | 68.8 | Low | 74.7 | Confident | 50 Ų | 50 | 45 Ų | 45 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | trans | -58.7 | 142.8 | 177.5 | -172.3 | 68.1 | 0 | 0 | 0 | 110.1 | V269 T273 V275 A277 A278 | L259-V269 HydrophobicContact CD1-CG1 4.15Å; L259-V269 HydrophobicContact CD1-CG2 3.92Å; L259-V269 HydrophobicContact CD2-CG2 3.88Å; L259-V269 HydrophobicContact CG-CG2 4.45Å; L259-T273 HydrophobicContact CD2-CG2 4.46Å; L259-V275 HydrophobicContact CB-CG1 4.39Å; L259-V275 HydrophobicContact CD2-CB 4.27Å; L259-V275 WeakPolarHBondContact CD2-O 3.35Å; L259-A277 WeakPolarHBondContact O-CA 3.36Å; L259-A278 PolarHBondContact O-N 2.82Å | ||
| 260 | R | 66.1 | Low | 72.6 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 152.9 | -168.2 | -58.7 | -179.1 | -177.1 | 173.8 | -4.7 | 112 | V88 G258 R262 | V88-R260 VanDerWaalsContact CB-CZ 3.49Å; V88-R260 VanDerWaalsContact CG2-NE 3.35Å; G258-R260 WeakPolarHBondContact O-CG 3.47Å; R260-R262 PolarHBondContact O-N 3.02Å; R260-R262 VanDerWaalsContact O-N 3.11Å |
| 261 | D | 53.8 | Low | 70.6 | Confident | 130 Ų | 130 | 51.1 Ų | 51.1 | 70% | 0.695 | 29% | 0.293 | S | S | * | . | trans | -88.5 | 34.3 | -169.5 | -160.4 | 16.5 | 0 | 0 | 0 | 112.8 | A277 | D261-A277 VanDerWaalsContact CA-CB 3.41Å; D261-A277 HydrophobicContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact N-CB 3.29Å | ||
| 262 | R | 59.2 | Low | 68.6 | Low | 115 Ų | 115 | 52.2 Ų | 52.2 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | trans | -85.7 | 139.9 | 178.5 | -169.3 | -170.7 | -179.6 | 145 | 6.1 | 108.4 | A86 R260 S264 A265 A266 | A86-R262 VanDerWaalsContact CB-CZ 3.5Å; R260-R262 PolarHBondContact O-N 3.02Å; R260-R262 VanDerWaalsContact O-N 3.11Å; R262-S264 VanDerWaalsContact C-N 3.31Å; R262-S264 PolarHBondContact O-N 3.17Å; R262-A265 HydrophobicContact CB-CB 3.99Å; R262-A265 PolarHBondContact O-N 3.04Å; R262-A266 WeakPolarHBondContact O-CB 3.23Å; R262-A266 PolarHBondContact O-N 2.85Å | ||
| 263 | A | 50.3 | Low | 66.6 | Low | 77 Ų | 77 | 54.2 Ų | 54.2 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -40.5 | -56.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A265 E267 | A263-A265 PolarHBondContact O-N 2.94Å; A263-E267 WeakPolarHBondContact O-CA 3.14Å; A263-E267 WeakPolarHBondContact O-CB 3.23Å; A263-E267 PolarHBondContact O-N 2.68Å |
| 264 | S | 50.7 | Low | 64.5 | Low | 74 Ų | 74 | 62 Ų | 62 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 179.4 | 161.8 | 0 | 0 | 0 | 0 | 115.4 | R262 A268 | R262-S264 VanDerWaalsContact C-N 3.31Å; R262-S264 PolarHBondContact O-N 3.17Å; S264-A268 VanDerWaalsContact O-CB 3.27Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.27Å |
| 265 | A | 56.4 | Low | 62.8 | Low | 33 Ų | 33 | 63.8 Ų | 63.8 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -77.2 | -39.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R262 A263 E267 V269 | R262-A265 HydrophobicContact CB-CB 3.99Å; R262-A265 PolarHBondContact O-N 3.04Å; A263-A265 PolarHBondContact O-N 2.94Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.14Å |
| 266 | A | 56.3 | Low | 61 | Low | 32 Ų | 32 | 72.7 Ų | 72.7 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R262 V269 R270 | R262-A266 WeakPolarHBondContact O-CB 3.23Å; R262-A266 PolarHBondContact O-N 2.85Å; A266-V269 CarbonylContact O-C 3.57Å; A266-R270 VanDerWaalsContact O-CA 3.23Å; A266-R270 WeakPolarHBondContact O-CA 3.42Å; A266-R270 VanDerWaalsContact O-CB 3.23Å; A266-R270 WeakPolarHBondContact O-CB 3.44Å; A266-R270 PolarHBondContact O-N 3.05Å |
| 267 | E | 51.6 | Low | 59.7 | Low | 123 Ų | 123 | 74.4 Ų | 74.4 | 58% | 0.575 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -72.9 | -42.9 | 175.2 | -170.5 | 153.4 | -143.2 | 0 | 0 | 111.9 | A263 A265 V269 R270 | A263-E267 WeakPolarHBondContact O-CA 3.14Å; A263-E267 WeakPolarHBondContact O-CB 3.23Å; A263-E267 PolarHBondContact O-N 2.68Å; A265-E267 VanDerWaalsContact C-N 3.33Å; E267-V269 PolarHBondContact O-N 2.95Å; E267-V269 VanDerWaalsContact O-N 3.14Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3.25Å |
| 268 | A | 56.2 | Low | 58.4 | Low | 83 Ų | 83 | 75.3 Ų | 75.3 | 69% | 0.686 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.6 | -21.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | S264 | S264-A268 VanDerWaalsContact O-CB 3.27Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.27Å |
| 269 | V | 56.3 | Low | 57.5 | Low | 37 Ų | 37 | 78.2 Ų | 78.2 | 22% | 0.224 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 7.8 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 113 | L259 A265 A266 E267 G271 V272 T273 | L259-V269 HydrophobicContact CD1-CG1 4.15Å; L259-V269 HydrophobicContact CD1-CG2 3.92Å; L259-V269 HydrophobicContact CD2-CG2 3.88Å; L259-V269 HydrophobicContact CG-CG2 4.45Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.14Å; A266-V269 CarbonylContact O-C 3.57Å; E267-V269 PolarHBondContact O-N 2.95Å; E267-V269 VanDerWaalsContact O-N 3.14Å; V269-G271 PolarHBondContact O-N 3.34Å; V269-V272 PolarHBondContact O-N 3.06Å; V269-T273 PolarHBondContact O-N 3.12Å |
| 270 | R | 53.2 | Low | 57.8 | Low | 186 Ų | 186 | 77 Ų | 77 | 70% | 0.702 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 125.5 | -176.2 | -176.8 | 177.2 | -79.8 | -160.2 | -1.4 | 108 | A266 E267 V272 | A266-R270 VanDerWaalsContact O-CA 3.23Å; A266-R270 WeakPolarHBondContact O-CA 3.42Å; A266-R270 VanDerWaalsContact O-CB 3.23Å; A266-R270 WeakPolarHBondContact O-CB 3.44Å; A266-R270 PolarHBondContact O-N 3.05Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3.25Å; R270-V272 PolarHBondContact O-N 2.98Å |
| 271 | G | 54.8 | Low | 58.7 | Low | 38 Ų | 38 | 76.6 Ų | 76.6 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -11.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V269 N327 A330 | V269-G271 PolarHBondContact O-N 3.34Å; G271-N327 WeakPolarHBondContact O-CB 3.07Å; G271-N327 PolarHBondContact O-ND2 3.01Å; G271-A330 WeakPolarHBondContact O-CB 3.08Å |
| 272 | V | 57.2 | Low | 60.3 | Low | 34 Ų | 34 | 77.2 Ų | 77.2 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -34.7 | -179.7 | 179.9 | 0 | 0 | 0 | 0 | 112.7 | F221 V269 R270 L326 N327 A331 | F221-V272 HydrophobicContact CD2-CG1 4.04Å; V269-V272 PolarHBondContact O-N 3.06Å; R270-V272 PolarHBondContact O-N 2.98Å; V272-L326 HydrophobicContact CG1-CD2 4.26Å; V272-L326 CarbonylContact O-C 3.53Å; V272-L326 WeakPolarHBondContact O-CA 3.06Å; V272-N327 PolarHBondContact O-N 3.03Å; V272-A331 HydrophobicContact CG1-CB 4.5Å |
| 273 | T | 56.2 | Low | 61.7 | Low | 45 Ų | 45 | 72 Ų | 72 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -130.4 | 141.3 | -173.7 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | L259 V269 V275 E325 | L259-T273 HydrophobicContact CD2-CG2 4.46Å; V269-T273 PolarHBondContact O-N 3.12Å; T273-V275 HydrophobicContact CG2-CB 3.68Å; T273-V275 HydrophobicContact CG2-CG2 3.59Å; T273-E325 CarbonylContact C-O 3.58Å; T273-E325 WeakPolarHBondContact CA-O 3.42Å |
| 274 | R | 54.8 | Low | 63.8 | Low | 163 Ų | 163 | 68.3 Ų | 68.3 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | trans | -93.1 | -3.7 | 179.4 | -61.3 | 178.7 | -179.1 | 173.1 | -3.1 | 114 | Q324 E325 | R274-Q324 PolarHBondContact NH1-O 3.43Å; R274-E325 PolarHBondContact N-O 2.93Å | ||
| 275 | V | 60.5 | Low | 65.8 | Low | 40 Ų | 40 | 67.2 Ų | 67.2 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 130.9 | -176.2 | 178.9 | 0 | 0 | 0 | 0 | 111 | L259 T273 E325 | L259-V275 HydrophobicContact CB-CG1 4.39Å; L259-V275 HydrophobicContact CD2-CB 4.27Å; L259-V275 WeakPolarHBondContact CD2-O 3.35Å; T273-V275 HydrophobicContact CG2-CB 3.68Å; T273-V275 HydrophobicContact CG2-CG2 3.59Å; V275-E325 HydrophobicContact CG2-CB 4.1Å; V275-E325 HydrophobicContact CG2-CG 4.14Å; V275-E325 WeakPolarHBondContact CG2-OE2 3.4Å |
| 276 | K | 58.6 | Low | 67.5 | Low | 188 Ų | 188 | 66.8 Ų | 66.8 | 82% | 0.817 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 138 | 174.8 | -69.4 | -174.5 | 178.7 | -177.5 | 0 | 111.4 | ||
| 277 | A | 64.5 | Low | 69.4 | Low | 37 Ų | 37 | 65.3 Ų | 65.3 | 31% | 0.306 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 145.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L259 D261 | L259-A277 WeakPolarHBondContact O-CA 3.36Å; D261-A277 VanDerWaalsContact CA-CB 3.41Å; D261-A277 HydrophobicContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact N-CB 3.29Å |
| 278 | A | 60.6 | Low | 71.5 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 148.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L259 G280 Y300 | L259-A278 PolarHBondContact O-N 2.82Å; A278-G280 PolarHBondContact O-N 3.5Å; A278-Y300 HydrophobicContact CB-CD1 4.39Å; A278-Y300 HydrophobicContact CB-CE1 3.92Å |
| 279 | P | 61.7 | Low | 73.4 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 47% | 0.468 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 130.5 | -179.6 | -18.6 | 30.6 | 0 | 0 | 0 | 112.6 | A283 | P279-A283 PolarHBondContact O-N 3.26Š|
| 280 | G | 75 | Confident | 75.2 | Confident | 23 Ų | 23 | 58 Ų | 58 | 24% | 0.237 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.2 | -49.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A278 K282 A283 A284 | A278-G280 PolarHBondContact O-N 3.5Å; G280-K282 PolarHBondContact O-N 3.49Å; G280-A283 PolarHBondContact O-N 3.28Å; G280-A284 PolarHBondContact O-N 2.73Å |
| 281 | P | 84.8 | Confident | 77.3 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | -174.9 | -24.7 | 32.4 | 0 | 0 | 0 | 114 | E91 H95 L285 | E91-P281 HydrophobicContact CG-CG 4.27Å; H95-P281 PolarHBondContact NE2-O 3.29Å; P281-L285 PolarHBondContact O-N 2.92Å; P281-L285 VanDerWaalsContact O-N 3.09Å |
| 282 | K | 87.9 | Confident | 79.3 | Confident | 142 Ų | 142 | 48.1 Ų | 48.1 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -73 | -37.2 | 179.2 | -70 | -175.3 | 178.2 | -179.2 | 0 | 111.9 | G280 L285 A286 Y300 | G280-K282 PolarHBondContact O-N 3.49Å; K282-L285 PolarHBondContact O-N 2.93Å; K282-A286 PolarHBondContact O-N 3.49Å; K282-Y300 HydrophobicContact CB-CE2 4.39Å; K282-Y300 WeakPolarHBondContact CB-OH 3.49Å |
| 283 | A | 88.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V88 P279 G280 A286 V287 Y300 | V88-A283 HydrophobicContact CG2-CB 4.4Å; P279-A283 PolarHBondContact O-N 3.26Å; G280-A283 PolarHBondContact O-N 3.28Å; A283-A286 PolarHBondContact O-N 2.84Å; A283-V287 WeakPolarHBondContact O-CG2 3.3Å; A283-V287 PolarHBondContact O-N 2.94Å; A283-V287 VanDerWaalsContact O-N 3.12Å; A283-Y300 HydrophobicContact CB-CD1 3.51Å; A283-Y300 HydrophobicContact CB-CE1 3.69Å; A283-Y300 HydrophobicContact CB-CG 4.28Å |
| 284 | A | 92.9 | Very high | 83 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V88 E91 L92 G280 A286 V287 I288 | V88-A284 HydrophobicContact CG1-CB 4.23Å; E91-A284 HydrophobicContact CB-CB 3.59Å; L92-A284 HydrophobicContact CD2-CB 3.98Å; L92-A284 WeakPolarHBondContact CD2-O 3.3Å; L92-A284 HydrophobicContact CG-CB 3.95Å; G280-A284 PolarHBondContact O-N 2.73Å; A284-A286 VanDerWaalsContact C-N 3.33Å; A284-A286 PolarHBondContact O-N 3.15Å; A284-V287 WeakPolarHBondContact O-CB 3.11Å; A284-V287 PolarHBondContact O-N 3.24Å; A284-I288 WeakPolarHBondContact O-CG1 3.12Å; A284-I288 PolarHBondContact O-N 2.98Å |
| 285 | L | 92.9 | Very high | 84.8 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.3 | -175.1 | 61.4 | 0 | 0 | 0 | 111.9 | P281 K282 V287 I288 R289 | P281-L285 PolarHBondContact O-N 2.92Å; P281-L285 VanDerWaalsContact O-N 3.09Å; K282-L285 PolarHBondContact O-N 2.93Å; L285-V287 VanDerWaalsContact C-N 3.29Å; L285-V287 PolarHBondContact O-N 3.36Å; L285-I288 PolarHBondContact O-N 3.5Å; L285-R289 HydrophobicContact CD1-CG 4.31Å; L285-R289 HydrophobicContact CG-CG 4.34Å; L285-R289 VanDerWaalsContact O-CG 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.44Å; L285-R289 PolarHBondContact O-N 2.86Å |
| 286 | A | 93.1 | Very high | 86.3 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 21% | 0.207 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | K282 A283 A284 G290 V298 Y300 | K282-A286 PolarHBondContact O-N 3.49Å; A283-A286 PolarHBondContact O-N 2.84Å; A284-A286 VanDerWaalsContact C-N 3.33Å; A284-A286 PolarHBondContact O-N 3.15Å; A286-G290 PolarHBondContact O-N 3.22Å; A286-G290 VanDerWaalsContact O-N 3.07Å; A286-V298 HydrophobicContact CB-CG1 4.17Å; A286-Y300 HydrophobicContact CB-CD2 4.01Å; A286-Y300 HydrophobicContact CB-CG 4.47Å |
| 287 | V | 95.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L92 V208 V210 C255 L257 A283 A284 L285 G290 G291 | L92-V287 HydrophobicContact CD1-CG1 4.38Å; L92-V287 HydrophobicContact CD2-CB 3.96Å; L92-V287 HydrophobicContact CD2-CG1 3.81Å; V208-V287 HydrophobicContact CG1-CG1 3.61Å; V210-V287 HydrophobicContact CG2-CG1 4.16Å; C255-V287 HydrophobicContact CB-CG2 3.91Å; L257-V287 HydrophobicContact CD1-CG2 3.97Å; L257-V287 HydrophobicContact CD2-CG2 4Å; L257-V287 HydrophobicContact CG-CG2 4.47Å; A283-V287 WeakPolarHBondContact O-CG2 3.3Å; A283-V287 PolarHBondContact O-N 2.94Å; A283-V287 VanDerWaalsContact O-N 3.12Å; A284-V287 WeakPolarHBondContact O-CB 3.11Å; A284-V287 PolarHBondContact O-N 3.24Å; L285-V287 VanDerWaalsContact C-N 3.29Å; L285-V287 PolarHBondContact O-N 3.36Å; V287-G290 PolarHBondContact O-N 3.4Å; V287-G291 PolarHBondContact O-N 2.86Å |
| 288 | I | 96.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -48.4 | 179.3 | -68.5 | 173.7 | 0 | 0 | 0 | 110.7 | F69 L74 L92 H95 Y96 L99 A284 L285 G290 G291 A292 | F69-I288 HydrophobicContact CE2-CG2 4.35Å; F69-I288 HydrophobicContact CZ-CG2 4.42Å; L74-I288 HydrophobicContact CD1-CG2 3.31Å; L92-I288 HydrophobicContact CD2-CD1 3.9Å; L92-I288 HydrophobicContact CD2-CG1 3.54Å; H95-I288 HydrophobicContact CB-CD1 3.26Å; Y96-I288 HydrophobicContact CD1-CD1 4.45Å; Y96-I288 HydrophobicContact CD2-CD1 3.95Å; Y96-I288 HydrophobicContact CD2-CG1 4.24Å; Y96-I288 HydrophobicContact CE1-CD1 4.47Å; Y96-I288 HydrophobicContact CE1-CG1 4.2Å; Y96-I288 HydrophobicContact CE1-CG2 4.12Å; Y96-I288 HydrophobicContact CE2-CD1 3.95Å; Y96-I288 HydrophobicContact CE2-CG1 3.72Å; Y96-I288 HydrophobicContact CG-CD1 4.19Å; L99-I288 HydrophobicContact CD1-CG2 4.01Å; A284-I288 WeakPolarHBondContact O-CG1 3.12Å; A284-I288 PolarHBondContact O-N 2.98Å; L285-I288 PolarHBondContact O-N 3.5Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 3.24Å; I288-G291 PolarHBondContact O-N 2.88Å; I288-A292 WeakPolarHBondContact O-CB 3.49Å; I288-A292 PolarHBondContact O-N 2.8Å |
| 289 | R | 95.6 | Very high | 90.6 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 32% | 0.317 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 178.7 | -70 | -167.1 | -179.6 | -167.4 | -6.7 | 112.1 | D67 F69 L285 G291 A292 T293 | D67-R289 IonicContact OD1-CZ 3.77Å; D67-R289 IonicContact OD1-NH1 3.79Å; D67-R289 PolarHBondContact OD1-NH1 2.83Å; D67-R289 WeakPolarHBondContact OD2-CD 3.38Å; D67-R289 IonicContact OD2-NH1 2.75Å; D67-R289 PolarHBondContact OD2-NH1 2.85Å; F69-R289 HydrophobicContact CB-CB 4.45Å; F69-R289 HydrophobicContact CB-CG 4.16Å; F69-R289 HydrophobicContact CD1-CG 3.75Å; F69-R289 HydrophobicContact CD2-CB 4.19Å; F69-R289 HydrophobicContact CD2-CG 3.88Å; F69-R289 HydrophobicContact CE1-CG 4.06Å; F69-R289 HydrophobicContact CE2-CG 4.2Å; F69-R289 HydrophobicContact CG-CB 4.22Å; F69-R289 HydrophobicContact CG-CG 3.63Å; F69-R289 HydrophobicContact CZ-CG 4.28Å; L285-R289 HydrophobicContact CD1-CG 4.31Å; L285-R289 HydrophobicContact CG-CG 4.34Å; L285-R289 VanDerWaalsContact O-CG 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.44Å; L285-R289 PolarHBondContact O-N 2.86Å; R289-G291 PolarHBondContact O-N 2.96Å; R289-A292 PolarHBondContact O-N 3.44Å; R289-T293 WeakPolarHBondContact O-CB 3.34Å; R289-T293 WeakPolarHBondContact O-CG2 3.29Å; R289-T293 PolarHBondContact O-N 3.24Å; R289-T293 PolarHBondContact O-OG1 2.97Å |
| 290 | G | 94.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T253 A286 V287 I288 T293 R294 A295 | T253-G290 PolarHBondContact OG1-O 2.8Å; A286-G290 PolarHBondContact O-N 3.22Å; A286-G290 VanDerWaalsContact O-N 3.07Å; V287-G290 PolarHBondContact O-N 3.4Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 3.24Å; G290-T293 PolarHBondContact O-OG1 3.36Å; G290-R294 PolarHBondContact O-N 3.34Å; G290-R294 VanDerWaalsContact O-N 3.17Å; G290-A295 PolarHBondContact O-N 3.34Å |
| 291 | G | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S206 V287 I288 R289 R294 | S206-G291 PolarHBondContact OG-O 3.17Å; V287-G291 PolarHBondContact O-N 2.86Å; I288-G291 PolarHBondContact O-N 2.88Å; R289-G291 PolarHBondContact O-N 2.96Å; G291-R294 PolarHBondContact O-N 3.27Å |
| 292 | A | 96.8 | Very high | 92.1 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.1 | -39.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | F69 L74 I288 R289 R294 | F69-A292 HydrophobicContact CD2-CB 3.8Å; F69-A292 HydrophobicContact CE2-CB 3.71Å; L74-A292 HydrophobicContact CD1-CB 4.28Å; L74-A292 HydrophobicContact CD2-CB 4.41Å; L74-A292 HydrophobicContact CG-CB 4.38Å; I288-A292 WeakPolarHBondContact O-CB 3.49Å; I288-A292 PolarHBondContact O-N 2.8Å; R289-A292 PolarHBondContact O-N 3.44Å; A292-R294 PolarHBondContact O-N 2.86Å |
| 293 | T | 95.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 31% | 0.307 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 3.2 | 173.8 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | D67 F69 R289 G290 A295 | D67-T293 HydrophobicContact CB-CG2 4.38Å; F69-T293 HydrophobicContact CB-CG2 4.02Å; R289-T293 WeakPolarHBondContact O-CB 3.34Å; R289-T293 WeakPolarHBondContact O-CG2 3.29Å; R289-T293 PolarHBondContact O-N 3.24Å; R289-T293 PolarHBondContact O-OG1 2.97Å; G290-T293 PolarHBondContact O-OG1 3.36Å; T293-A295 PolarHBondContact O-N 3.16Å; T293-A295 VanDerWaalsContact O-N 3.17Å |
| 294 | R | 95.6 | Very high | 91.3 | Very high | 88 Ų | 88 | 41.9 Ų | 41.9 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 29.9 | 178.8 | -55.1 | 176.3 | 72.7 | 79.6 | -10.8 | 113.1 | K204 G205 S206 N249 A251 G290 G291 A292 | K204-R294 PolarHBondContact O-NH1 3.2Å; K204-R294 PolarHBondContact O-NH2 3.04Å; G205-R294 PolarHBondContact O-NH1 2.85Å; S206-R294 PolarHBondContact OG-NH1 3.44Å; N249-R294 PolarHBondContact O-NH2 2.84Å; N249-R294 PolarHBondContact OD1-NH2 3.19Å; A251-R294 HydrophobicContact CB-CB 3.64Å; A251-R294 HydrophobicContact CB-CG 3.79Å; A251-R294 VanDerWaalsContact CB-CZ 3.44Å; G290-R294 PolarHBondContact O-N 3.34Å; G290-R294 VanDerWaalsContact O-N 3.17Å; G291-R294 PolarHBondContact O-N 3.27Å; A292-R294 PolarHBondContact O-N 2.86Å |
| 295 | A | 93.4 | Very high | 90.8 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | trans | -65.3 | 138.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T253 G290 T293 G297 | T253-A295 WeakPolarHBondContact CA-O 3.34Å; T253-A295 VanDerWaalsContact CB-O 3.22Å; T253-A295 WeakPolarHBondContact CB-O 3.24Å; T253-A295 VanDerWaalsContact CG2-O 3.23Å; T253-A295 WeakPolarHBondContact CG2-O 3.29Å; T253-A295 PolarHBondContact OG1-O 2.94Å; G290-A295 PolarHBondContact O-N 3.34Å; T293-A295 PolarHBondContact O-N 3.16Å; T293-A295 VanDerWaalsContact O-N 3.17Å; A295-G297 PolarHBondContact O-N 3.23Å | ||
| 296 | A | 91.6 | Very high | 90.1 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 52% | 0.521 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -65.5 | -27.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R240 M254 | R240-A296 PolarHBondContact NH2-O 3.45Å; M254-A296 PolarHBondContact N-O 3.23Å; M254-A296 VanDerWaalsContact N-O 3.09Å |
| 297 | G | 91.9 | Very high | 89.3 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 142.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M254 A295 | M254-G297 CarbonylContact O-C 3.54Å; M254-G297 WeakPolarHBondContact O-CA 3.39Å; A295-G297 PolarHBondContact O-N 3.23Å |
| 298 | V | 92.4 | Very high | 88.4 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.2 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | T253 M254 C255 V256 A286 | T253-V298 HydrophobicContact CG2-CG2 3.81Å; M254-V298 PolarHBondContact O-N 3.19Å; C255-V298 CarbonylContact C-O 3.52Å; C255-V298 HydrophobicContact CB-CB 4.29Å; V256-V298 PolarHBondContact N-O 3.41Å; A286-V298 HydrophobicContact CB-CG1 4.17Å |
| 299 | F | 89.8 | Confident | 87.4 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117.3 | 177 | -65.6 | -95.6 | 0 | 0 | 0 | 109.2 | V256 P301 W302 F304 R305 C308 | V256-F299 HydrophobicContact CB-CD1 3.66Å; V256-F299 HydrophobicContact CB-CE1 3.86Å; V256-F299 HydrophobicContact CB-CG 4.4Å; V256-F299 HydrophobicContact CG1-CD1 3.94Å; V256-F299 HydrophobicContact CG1-CE1 4.15Å; V256-F299 HydrophobicContact CG2-CD1 4.06Å; V256-F299 HydrophobicContact CG2-CE1 3.72Å; V256-F299 HydrophobicContact CG2-CZ 4.28Å; F299-P301 CarbonylContact O-C 3.33Å; F299-W302 WeakPolarHBondContact O-CA 3.38Å; F299-W302 PolarHBondContact O-N 3.2Å; F299-F304 HydrophobicContact CB-CB 4.36Å; F299-F304 HydrophobicContact CD1-CB 4.25Å; F299-R305 HydrophobicContact CB-CB 3.93Å; F299-R305 HydrophobicContact CD1-CB 4.09Å; F299-R305 HydrophobicContact CD2-CB 3.81Å; F299-R305 HydrophobicContact CD2-CG 3.87Å; F299-R305 HydrophobicContact CE2-CB 4.36Å; F299-R305 HydrophobicContact CE2-CG 4.02Å; F299-R305 HydrophobicContact CG-CB 3.67Å; F299-R305 HydrophobicContact CG-CG 4.22Å; F299-R305 HydrophobicContact CZ-CG 4.49Å; F299-C308 HydrophobicContact CE1-CB 4.11Å |
| 300 | Y | 87.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 118.1 | 179.1 | -167.8 | -94 | 0 | 0 | 0 | 111.7 | V256 L257 G258 A278 K282 A283 A286 | V256-Y300 PolarHBondContact O-N 3.4Å; L257-Y300 WeakPolarHBondContact CA-O 3.44Å; G258-Y300 PolarHBondContact N-O 3.25Å; A278-Y300 HydrophobicContact CB-CD1 4.39Å; A278-Y300 HydrophobicContact CB-CE1 3.92Å; K282-Y300 HydrophobicContact CB-CE2 4.39Å; K282-Y300 WeakPolarHBondContact CB-OH 3.49Å; A283-Y300 HydrophobicContact CB-CD1 3.51Å; A283-Y300 HydrophobicContact CB-CE1 3.69Å; A283-Y300 HydrophobicContact CB-CG 4.28Å; A286-Y300 HydrophobicContact CB-CD2 4.01Å; A286-Y300 HydrophobicContact CB-CG 4.47Å |
| 301 | P | 85.6 | Confident | 84.7 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | S | Bend | cis | -68.6 | 156.8 | -4.1 | 28.8 | -35.1 | 0 | 0 | 0 | 113 | F299 R303 F304 | F299-P301 CarbonylContact O-C 3.33Å; P301-R303 HydrophobicContact CB-CG 4.22Å; P301-R303 HydrophobicContact CG-CG 3.93Å; P301-R303 PolarHBondContact O-N 3.42Å; P301-F304 HydrophobicContact CG-CD1 4.17Å; P301-F304 HydrophobicContact CG-CE1 4.06Å; P301-F304 HydrophobicContact CG-CZ 4.34Å; P301-F304 WeakPolarHBondContact O-CB 3.41Å; P301-F304 PolarHBondContact O-N 3.12Å |
| 302 | W | 79.3 | Confident | 83 | Confident | 153 Ų | 153 | 71.9 Ų | 71.9 | 58% | 0.58 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -33.3 | -173.8 | 71.8 | -96.4 | 0 | 0 | 0 | 114.3 | W65 F299 F304 R305 | W65-W302 AromaticContact CZ3-CD1 3.93Å; W65-W302 HydrophobicContact CZ3-CG 4.33Å; F299-W302 WeakPolarHBondContact O-CA 3.38Å; F299-W302 PolarHBondContact O-N 3.2Å; W302-F304 PolarHBondContact O-N 3.33Å; W302-R305 VanDerWaalsContact O-CB 3.24Å; W302-R305 WeakPolarHBondContact O-CB 3.31Å; W302-R305 PolarHBondContact O-N 3.24Å |
| 303 | R | 79.5 | Confident | 81.4 | Confident | 138 Ų | 138 | 81 Ų | 81 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.5 | -22 | 177.5 | 64 | -178.7 | 178.7 | -165.4 | -0.6 | 113.9 | P301 R305 L306 L307 | P301-R303 HydrophobicContact CB-CG 4.22Å; P301-R303 HydrophobicContact CG-CG 3.93Å; P301-R303 PolarHBondContact O-N 3.42Å; R303-R305 PolarHBondContact O-N 3.27Å; R303-L306 WeakPolarHBondContact O-CB 3.28Å; R303-L306 PolarHBondContact O-N 3.45Å; R303-L307 PolarHBondContact O-N 3.07Å |
| 304 | F | 81.4 | Confident | 79.9 | Confident | 14 Ų | 14 | 83 Ų | 83 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.9 | -28.2 | 175.1 | -74.8 | 4.1 | 0 | 0 | 0 | 113.2 | L213 F299 P301 W302 L306 L307 C308 | L213-F304 HydrophobicContact CB-CD2 4.08Å; L213-F304 HydrophobicContact CB-CE2 3.81Å; L213-F304 HydrophobicContact CB-CZ 4.46Å; L213-F304 HydrophobicContact CD1-CB 4.35Å; L213-F304 HydrophobicContact CD1-CD2 4.14Å; L213-F304 HydrophobicContact CD1-CE2 4.45Å; L213-F304 HydrophobicContact CD1-CG 4.16Å; L213-F304 HydrophobicContact CD2-CD1 4.44Å; L213-F304 HydrophobicContact CD2-CD2 4.41Å; L213-F304 HydrophobicContact CD2-CE1 4.06Å; L213-F304 HydrophobicContact CD2-CE2 3.95Å; L213-F304 HydrophobicContact CD2-CZ 3.79Å; L213-F304 HydrophobicContact CG-CD2 4.44Å; L213-F304 HydrophobicContact CG-CE2 4.29Å; F299-F304 HydrophobicContact CB-CB 4.36Å; F299-F304 HydrophobicContact CD1-CB 4.25Å; P301-F304 HydrophobicContact CG-CD1 4.17Å; P301-F304 HydrophobicContact CG-CE1 4.06Å; P301-F304 HydrophobicContact CG-CZ 4.34Å; P301-F304 WeakPolarHBondContact O-CB 3.41Å; P301-F304 PolarHBondContact O-N 3.12Å; W302-F304 PolarHBondContact O-N 3.33Å; F304-L306 VanDerWaalsContact C-N 3.32Å; F304-L306 PolarHBondContact O-N 3.19Å; F304-L307 HydrophobicContact CD1-CD1 3.89Å; F304-L307 HydrophobicContact CE1-CD1 4.38Å; F304-L307 PolarHBondContact O-N 3.1Å; F304-C308 WeakPolarHBondContact O-CB 3.46Å; F304-C308 PolarHBondContact O-N 3.49Å; F304-C308 PolarHBondContact O-SG 3.27Å |
| 305 | R | 82.3 | Confident | 78.4 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 173.1 | -171.4 | 174.6 | 179.6 | 160.5 | 0.8 | 110.7 | Y64 F299 W302 R303 C308 L309 | Y64-R305 PolarHBondContact OH-NH2 3.07Å; Y64-R305 VanDerWaalsContact OH-NH2 3.17Å; F299-R305 HydrophobicContact CB-CB 3.93Å; F299-R305 HydrophobicContact CD1-CB 4.09Å; F299-R305 HydrophobicContact CD2-CB 3.81Å; F299-R305 HydrophobicContact CD2-CG 3.87Å; F299-R305 HydrophobicContact CE2-CB 4.36Å; F299-R305 HydrophobicContact CE2-CG 4.02Å; F299-R305 HydrophobicContact CG-CB 3.67Å; F299-R305 HydrophobicContact CG-CG 4.22Å; F299-R305 HydrophobicContact CZ-CG 4.49Å; W302-R305 VanDerWaalsContact O-CB 3.24Å; W302-R305 WeakPolarHBondContact O-CB 3.31Å; W302-R305 PolarHBondContact O-N 3.24Å; R303-R305 PolarHBondContact O-N 3.27Å; R305-C308 PolarHBondContact O-N 2.94Å; R305-L309 HydrophobicContact CG-CD1 4.34Å; R305-L309 WeakPolarHBondContact O-CG 3.33Å; R305-L309 PolarHBondContact O-N 2.74Å |
| 306 | L | 78 | Confident | 77 | Confident | 94 Ų | 94 | 91.6 Ų | 91.6 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 177.6 | -176.1 | 63.2 | 0 | 0 | 0 | 111.3 | R303 F304 C308 L309 L310 | R303-L306 WeakPolarHBondContact O-CB 3.28Å; R303-L306 PolarHBondContact O-N 3.45Å; F304-L306 VanDerWaalsContact C-N 3.32Å; F304-L306 PolarHBondContact O-N 3.19Å; L306-C308 VanDerWaalsContact C-N 3.29Å; L306-C308 PolarHBondContact O-N 3.44Å; L306-L309 PolarHBondContact O-N 3.25Å; L306-L310 HydrophobicContact CD1-CD1 4.12Å; L306-L310 HydrophobicContact CD1-CG 4.24Å; L306-L310 HydrophobicContact CG-CD1 3.88Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.49Å |
| 307 | L | 75.3 | Confident | 75.8 | Confident | 89 Ų | 89 | 91.3 Ų | 91.3 | 47% | 0.466 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 175 | -79.4 | 156.2 | 0 | 0 | 0 | 112.5 | R303 F304 R311 | R303-L307 PolarHBondContact O-N 3.07Å; F304-L307 HydrophobicContact CD1-CD1 3.89Å; F304-L307 HydrophobicContact CE1-CD1 4.38Å; F304-L307 PolarHBondContact O-N 3.1Å; L307-R311 PolarHBondContact O-N 3.32Å |
| 308 | C | 77.8 | Confident | 74.6 | Confident | 18 Ų | 18 | 93.5 Ų | 93.5 | 12% | 0.122 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.2 | -35.8 | 178.1 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | R216 F299 F304 R305 L306 R311 | R216-C308 VanDerWaalsContact CB-SG 3.53Å; F299-C308 HydrophobicContact CE1-CB 4.11Å; F304-C308 WeakPolarHBondContact O-CB 3.46Å; F304-C308 PolarHBondContact O-N 3.49Å; F304-C308 PolarHBondContact O-SG 3.27Å; R305-C308 PolarHBondContact O-N 2.94Å; L306-C308 VanDerWaalsContact C-N 3.29Å; L306-C308 PolarHBondContact O-N 3.44Å; C308-R311 WeakPolarHBondContact O-CB 3.4Å; C308-R311 PolarHBondContact O-N 3.41Å |
| 309 | L | 74.8 | Confident | 73.3 | Confident | 113 Ų | 113 | 95.6 Ų | 95.6 | 59% | 0.592 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69.2 | -42.8 | 176.7 | -71.1 | 171.4 | 0 | 0 | 0 | 111.8 | R305 L306 R311 | R305-L309 HydrophobicContact CG-CD1 4.34Å; R305-L309 WeakPolarHBondContact O-CG 3.33Å; R305-L309 PolarHBondContact O-N 2.74Å; L306-L309 PolarHBondContact O-N 3.25Å; L309-R311 PolarHBondContact O-N 2.99Å; L309-R311 VanDerWaalsContact O-N 3.16Å |
| 310 | L | 67.4 | Low | 72.2 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.8 | -12.7 | 178.6 | -65.6 | 172.7 | 0 | 0 | 0 | 113 | L306 R312 W313 L314 | L306-L310 HydrophobicContact CD1-CD1 4.12Å; L306-L310 HydrophobicContact CD1-CG 4.24Å; L306-L310 HydrophobicContact CG-CD1 3.88Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.49Å; L310-R312 VanDerWaalsContact C-N 3.25Å; L310-R312 PolarHBondContact O-N 3.5Å; L310-W313 PolarHBondContact O-N 2.89Å; L310-W313 VanDerWaalsContact O-N 3.11Å; L310-L314 PolarHBondContact O-N 3.29Å |
| 311 | R | 65.4 | Low | 71.2 | Confident | 88 Ų | 88 | 104.4 Ų | 104.4 | 33% | 0.332 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -40.2 | 178.4 | -171.3 | -176.4 | 93.7 | 174.1 | 2.3 | 113.4 | R216 L307 C308 L309 | R216-R311 WeakPolarHBondContact O-CD 3.47Å; R216-R311 PolarHBondContact O-NH1 2.96Å; L307-R311 PolarHBondContact O-N 3.32Å; C308-R311 WeakPolarHBondContact O-CB 3.4Å; C308-R311 PolarHBondContact O-N 3.41Å; L309-R311 PolarHBondContact O-N 2.99Å; L309-R311 VanDerWaalsContact O-N 3.16Å |
| 312 | R | 61.2 | Low | 70.4 | Confident | 219 Ų | 219 | 104.5 Ų | 104.5 | 83% | 0.826 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -20.7 | -175.7 | -94 | -179.4 | 166.5 | 170.9 | -3.8 | 113.4 | L310 | L310-R312 VanDerWaalsContact C-N 3.25Å; L310-R312 PolarHBondContact O-N 3.5Å |
| 313 | W | 63.1 | Low | 69.8 | Low | 211 Ų | 211 | 105 Ų | 105 | 80% | 0.799 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -24.6 | -166.9 | -61.4 | 76.4 | 0 | 0 | 0 | 113.2 | L310 | L310-W313 PolarHBondContact O-N 2.89Å; L310-W313 VanDerWaalsContact O-N 3.11Å |
| 314 | L | 65 | Low | 69.4 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | trans | -138.9 | 71.2 | -173 | -65.4 | 170.4 | 0 | 0 | 0 | 113.7 | L310 R316 P317 R318 | L310-L314 PolarHBondContact O-N 3.29Å; L314-R316 PolarHBondContact O-N 3.11Å; L314-P317 HydrophobicContact CB-CG 4.23Å; L314-P317 HydrophobicContact CD2-CG 4.31Å; L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.39Å; L314-R318 PolarHBondContact O-N 3.46Å | ||
| 315 | P | 64.6 | Low | 68.7 | Low | 77 Ų | 77 | 106.3 Ų | 106.3 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.3 | -36.8 | -176.1 | 24.7 | -32.7 | 0 | 0 | 0 | 114.4 | A319 | P315-A319 PolarHBondContact O-N 3.43Å |
| 316 | R | 64.2 | Low | 67.6 | Low | 223 Ų | 223 | 102.8 Ų | 102.8 | 84% | 0.842 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -75.8 | -50 | -177.5 | -70.7 | -178 | 176.9 | 170 | -0.9 | 113.7 | L314 R318 A319 W320 | L314-R316 PolarHBondContact O-N 3.11Å; R316-R318 PolarHBondContact O-N 2.98Å; R316-A319 PolarHBondContact O-N 3.24Å; R316-W320 PolarHBondContact O-N 3.09Å |
| 317 | P | 66.1 | Low | 66.8 | Low | 57 Ų | 57 | 100.6 Ų | 100.6 | 37% | 0.37 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.2 | -34.4 | 176.7 | -24.2 | 35.3 | 0 | 0 | 0 | 112.5 | L314 W320 F321 | L314-P317 HydrophobicContact CB-CG 4.23Å; L314-P317 HydrophobicContact CD2-CG 4.31Å; P317-W320 WeakPolarHBondContact O-CB 3.13Å; P317-W320 PolarHBondContact O-N 3.36Å; P317-F321 HydrophobicContact CB-CE2 4.43Å; P317-F321 WeakPolarHBondContact O-CD2 3.33Å; P317-F321 PolarHBondContact O-N 3.45Å |
| 318 | R | 65.3 | Low | 66 | Low | 74 Ų | 74 | 100 Ų | 100 | 28% | 0.279 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 176.3 | -179.5 | -167.3 | 70.7 | -169.8 | 2.5 | 112.9 | L314 R316 W320 F321 I322 | L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.39Å; L314-R318 PolarHBondContact O-N 3.46Å; R316-R318 PolarHBondContact O-N 2.98Å; R318-W320 PolarHBondContact O-N 3.17Å; R318-F321 PolarHBondContact O-N 2.98Å; R318-I322 HydrophobicContact CG-CD1 3.81Å; R318-I322 HydrophobicContact CG-CG1 4.4Å; R318-I322 WeakPolarHBondContact O-CG1 3.39Å; R318-I322 PolarHBondContact O-N 3.43Å |
| 319 | A | 65.3 | Low | 64.9 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -35.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P315 R316 R323 | P315-A319 PolarHBondContact O-N 3.43Å; R316-A319 PolarHBondContact O-N 3.24Å; A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 3.05Å; A319-R323 VanDerWaalsContact O-N 3.1Å |
| 320 | W | 68 | Low | 63.7 | Low | 146 Ų | 146 | 101.3 Ų | 101.3 | 55% | 0.553 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.1 | -48.4 | 173.2 | -175.5 | 91.6 | 0 | 0 | 0 | 112.2 | R316 P317 R318 I322 R323 Q324 | R316-W320 PolarHBondContact O-N 3.09Å; P317-W320 WeakPolarHBondContact O-CB 3.13Å; P317-W320 PolarHBondContact O-N 3.36Å; R318-W320 PolarHBondContact O-N 3.17Å; W320-I322 PolarHBondContact O-N 3.19Å; W320-R323 WeakPolarHBondContact O-CB 3.44Å; W320-R323 PolarHBondContact O-N 3.35Å; W320-Q324 HydrophobicContact CD2-CG 4.26Å; W320-Q324 HydrophobicContact CE3-CG 4.19Å; W320-Q324 HydrophobicContact CH2-CG 4.06Å; W320-Q324 HydrophobicContact CZ2-CG 4.12Å; W320-Q324 HydrophobicContact CZ3-CG 4.09Å; W320-Q324 WeakPolarHBondContact O-CG 3.3Å; W320-Q324 PolarHBondContact O-N 2.8Å; W320-Q324 VanDerWaalsContact O-N 3.12Å |
| 321 | F | 65.7 | Low | 62.7 | Low | 127 Ų | 127 | 98.6 Ų | 98.6 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 177.6 | -78.5 | -68.7 | 0 | 0 | 0 | 113 | P317 R318 R323 Q324 E325 | P317-F321 HydrophobicContact CB-CE2 4.43Å; P317-F321 WeakPolarHBondContact O-CD2 3.33Å; P317-F321 PolarHBondContact O-N 3.45Å; R318-F321 PolarHBondContact O-N 2.98Å; F321-R323 PolarHBondContact O-N 3.48Å; F321-Q324 WeakPolarHBondContact O-CB 3.37Å; F321-Q324 PolarHBondContact O-N 3.48Å; F321-Q324 VanDerWaalsContact O-N 3.07Å; F321-E325 PolarHBondContact O-N 2.9Å |
| 322 | I | 67.8 | Low | 61.5 | Low | 28 Ų | 28 | 98.9 Ų | 98.9 | 14% | 0.144 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 176.9 | -65.4 | 170.6 | 0 | 0 | 0 | 110.4 | V217 R318 W320 Q324 E325 L326 | V217-I322 HydrophobicContact CG1-CD1 3.61Å; R318-I322 HydrophobicContact CG-CD1 3.81Å; R318-I322 HydrophobicContact CG-CG1 4.4Å; R318-I322 WeakPolarHBondContact O-CG1 3.39Å; R318-I322 PolarHBondContact O-N 3.43Å; W320-I322 PolarHBondContact O-N 3.19Å; I322-Q324 VanDerWaalsContact C-N 3.32Å; I322-Q324 PolarHBondContact O-N 2.98Å; I322-E325 PolarHBondContact O-N 2.92Å; I322-L326 HydrophobicContact CG2-CD1 4.28Å; I322-L326 WeakPolarHBondContact O-CG 3.4Å; I322-L326 PolarHBondContact O-N 2.91Å |
| 323 | R | 67.2 | Low | 60.3 | Low | 163 Ų | 163 | 95.5 Ų | 95.5 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -36.8 | 175.7 | -173.1 | 179.4 | -178.9 | -174.8 | 0.6 | 112.4 | A319 W320 F321 E325 L326 V328 | A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 3.05Å; A319-R323 VanDerWaalsContact O-N 3.1Å; W320-R323 WeakPolarHBondContact O-CB 3.44Å; W320-R323 PolarHBondContact O-N 3.35Å; F321-R323 PolarHBondContact O-N 3.48Å; R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 PolarHBondContact O-N 3.13Å; R323-L326 PolarHBondContact O-N 3.09Å; R323-V328 HydrophobicContact CG-CG2 4.35Å |
| 324 | Q | 71.3 | Confident | 60.2 | Low | 87 Ų | 87 | 89.8 Ų | 89.8 | 41% | 0.407 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -26.8 | 177.6 | -64 | -61.5 | -20.6 | 0 | 0 | 112.9 | R274 W320 F321 I322 L326 | R274-Q324 PolarHBondContact NH1-O 3.43Å; W320-Q324 HydrophobicContact CD2-CG 4.26Å; W320-Q324 HydrophobicContact CE3-CG 4.19Å; W320-Q324 HydrophobicContact CH2-CG 4.06Å; W320-Q324 HydrophobicContact CZ2-CG 4.12Å; W320-Q324 HydrophobicContact CZ3-CG 4.09Å; W320-Q324 WeakPolarHBondContact O-CG 3.3Å; W320-Q324 PolarHBondContact O-N 2.8Å; W320-Q324 VanDerWaalsContact O-N 3.12Å; F321-Q324 WeakPolarHBondContact O-CB 3.37Å; F321-Q324 PolarHBondContact O-N 3.48Å; F321-Q324 VanDerWaalsContact O-N 3.07Å; I322-Q324 VanDerWaalsContact C-N 3.32Å; I322-Q324 PolarHBondContact O-N 2.98Å; Q324-L326 VanDerWaalsContact C-N 3.31Å |
| 325 | E | 66.1 | Low | 59.9 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.3 | -15.8 | 175.3 | -66.4 | -170.4 | 165.4 | 0 | 0 | 113.1 | T273 R274 V275 F321 I322 R323 | T273-E325 CarbonylContact C-O 3.58Å; T273-E325 WeakPolarHBondContact CA-O 3.42Å; R274-E325 PolarHBondContact N-O 2.93Å; V275-E325 HydrophobicContact CG2-CB 4.1Å; V275-E325 HydrophobicContact CG2-CG 4.14Å; V275-E325 WeakPolarHBondContact CG2-OE2 3.4Å; F321-E325 PolarHBondContact O-N 2.9Å; I322-E325 PolarHBondContact O-N 2.92Å; R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 PolarHBondContact O-N 3.13Å |
| 326 | L | 60.6 | Low | 59.7 | Low | 19 Ų | 19 | 90.4 Ų | 90.4 | 10% | 0.099 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -96.9 | 141.3 | 179.9 | -66 | 168.9 | 0 | 0 | 0 | 111.3 | F221 V272 I322 R323 Q324 V328 | F221-L326 HydrophobicContact CD2-CD2 4.27Å; F221-L326 HydrophobicContact CE2-CD1 4.21Å; F221-L326 HydrophobicContact CE2-CD2 4.44Å; V272-L326 HydrophobicContact CG1-CD2 4.26Å; V272-L326 CarbonylContact O-C 3.53Å; V272-L326 WeakPolarHBondContact O-CA 3.06Å; I322-L326 HydrophobicContact CG2-CD1 4.28Å; I322-L326 WeakPolarHBondContact O-CG 3.4Å; I322-L326 PolarHBondContact O-N 2.91Å; R323-L326 PolarHBondContact O-N 3.09Å; Q324-L326 VanDerWaalsContact C-N 3.31Å; L326-V328 PolarHBondContact O-N 3.27Å |
| 327 | N | 60.4 | Low | 59.4 | Low | 48 Ų | 48 | 82.6 Ų | 82.6 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | trans | -94 | 91.5 | 170.9 | -165.6 | 24.5 | 0 | 0 | 0 | 109.1 | G271 V272 T329 A330 | G271-N327 WeakPolarHBondContact O-CB 3.07Å; G271-N327 PolarHBondContact O-ND2 3.01Å; V272-N327 PolarHBondContact O-N 3.03Å; N327-T329 PolarHBondContact O-N 3.38Å; N327-T329 PolarHBondContact OD1-OG1 3.38Å; N327-A330 PolarHBondContact O-N 2.91Å | ||
| 328 | V | 58.5 | Low | 59 | Low | 77 Ų | 77 | 84.2 Ų | 84.2 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.9 | -169.1 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | R323 L326 | R323-V328 HydrophobicContact CG-CG2 4.35Å; L326-V328 PolarHBondContact O-N 3.27Å |
| 329 | T | 54.5 | Low | 58.6 | Low | 119 Ų | 119 | 84.9 Ų | 84.9 | 73% | 0.73 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -28 | 179.3 | 46 | 0 | 0 | 0 | 0 | 113.9 | N327 | N327-T329 PolarHBondContact O-N 3.38Å; N327-T329 PolarHBondContact OD1-OG1 3.38Å |
| 330 | A | 49.9 | Very low | 58.1 | Low | 39 Ų | 39 | 86.6 Ų | 86.6 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -20.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G271 N327 | G271-A330 WeakPolarHBondContact O-CB 3.08Å; N327-A330 PolarHBondContact O-N 2.91Å |
| 331 | A | 47.5 | Very low | 57.3 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 21% | 0.207 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -2.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F221 V272 | F221-A331 HydrophobicContact CD1-CB 4.24Å; F221-A331 HydrophobicContact CD2-CB 4.08Å; F221-A331 HydrophobicContact CE1-CB 3.73Å; F221-A331 HydrophobicContact CE2-CB 3.55Å; F221-A331 HydrophobicContact CG-CB 4.4Å; F221-A331 HydrophobicContact CZ-CB 3.36Å; V272-A331 HydrophobicContact CG1-CB 4.5Å |
| 332 | A | 40.2 | Very low | 56.6 | Low | 94 Ų | 94 | 78.3 Ų | 78.3 | 78% | 0.777 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -4.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 333 | A | 35.8 | Very low | 55.6 | Low | 148 Ų | 148 | 82.9 Ų | 82.9 | 100% | 1.223 | 50% | 0.503 | S | S | * | . | trans | -94.4 | 0 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 333 of 333 residues in 216.5 ms
(Link to these results)