| 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 | 36.5 | Very low | 35.2 | Very low | 241 Ų | 241 | 164.7 Ų | 164.7 | 100% | 1.187 | 90% | 0.895 | S | S | * | * | 0 | 141.3 | 0 | -78.2 | 165 | 152.7 | 0 | 0 | 107.5 | |||||
| 2 | Q | 38.3 | Very low | 35 | Very low | 194 Ų | 194 | 159.7 Ų | 159.7 | 91% | 0.907 | 89% | 0.892 | S | S | * | * | trans | -62.7 | 132.4 | -147.6 | -62.2 | 160.6 | 11.8 | 0 | 0 | 114.8 | ||||
| 3 | H | 39.5 | Very low | 35 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 90% | 0.903 | 87% | 0.867 | S | S | * | * | trans | -113.3 | 112.2 | 154.4 | -90.9 | -86.1 | 0 | 0 | 0 | 107.3 | ||||
| 4 | G | 34.6 | Very low | 34.6 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | trans | -87.7 | 128.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | E | 35.8 | Very low | 34.5 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | trans | -93 | 112.9 | 178.9 | -145.7 | 152.4 | 103 | 0 | 0 | 108.6 | ||||
| 6 | Q | 37.3 | Very low | 34.3 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -86.6 | 116.4 | 173.3 | -75.8 | -173.5 | 22.8 | 0 | 0 | 109.9 | ||||
| 7 | S | 33.6 | Very low | 34.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -76.5 | 119.8 | 167.4 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | G | 31.6 | Very low | 34.3 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -108.6 | 108 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | K10 | G8-K10 PolarHBondContact O-N 3.22Š| ||
| 9 | A | 33.6 | Very low | 34.1 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 120.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 10 | K | 35.1 | Very low | 34.2 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -83.9 | 109.8 | 171.2 | -74.6 | -179.7 | 175.5 | 177.1 | 0 | 109.7 | G8 | G8-K10 PolarHBondContact O-N 3.22Š| ||
| 11 | K | 31.4 | Very low | 34.3 | Very low | 208 Ų | 208 | 131.2 Ų | 131.2 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.9 | 168.9 | -76 | -179.6 | 173.4 | 179.7 | 0 | 110.1 | ||
| 12 | A | 33.4 | Very low | 34.3 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 133.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 13 | A | 34 | Very low | 34.1 | Very low | 68 Ų | 68 | 118.7 Ų | 118.7 | 56% | 0.562 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 131.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W15 | A13-W15 PolarHBondContact O-NE1 3.03Š|
| 14 | A | 30.5 | Very low | 33.9 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 139.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 15 | W | 32.7 | Very low | 34 | Very low | 126 Ų | 126 | 119.7 Ų | 119.7 | 48% | 0.477 | 68% | 0.679 | S | S | . | * | trans | -105.3 | 129.1 | -178.2 | -56.5 | 92.3 | 0 | 0 | 0 | 110.7 | A13 V23 R25 L146 | A13-W15 PolarHBondContact O-NE1 3.03Å; W15-V23 HydrophobicContact CE3-CG1 3.6Å; W15-V23 HydrophobicContact CZ3-CG1 3.94Å; W15-R25 HydrophobicContact CE3-CB 4.5Å; W15-R25 HydrophobicContact CE3-CG 4.46Å; W15-R25 HydrophobicContact CH2-CB 4.17Å; W15-R25 VanDerWaalsContact CH2-CD 3.44Å; W15-R25 HydrophobicContact CH2-CG 3.5Å; W15-R25 HydrophobicContact CZ3-CB 3.6Å; W15-R25 HydrophobicContact CZ3-CG 3.44Å; W15-R25 VanDerWaalsContact CZ3-CG 3.44Å; W15-L146 HydrophobicContact CH2-CD1 4.44Å; W15-L146 HydrophobicContact CZ3-CD1 4.27Å | ||
| 16 | V | 31.2 | Very low | 34 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 63% | 0.63 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.5 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 17 | V | 34.6 | Very low | 33.8 | Very low | 92 Ų | 92 | 115.5 Ų | 115.5 | 56% | 0.558 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.5 | 171.3 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | V23 | V17-V23 HydrophobicContact CG2-CG2 4.35Å |
| 18 | S | 33.6 | Very low | 33.7 | Very low | 55 Ų | 55 | 114.9 Ų | 114.9 | 39% | 0.385 | 66% | 0.664 | S | S | . | * | trans | -80.3 | 154.4 | 174.6 | -72.1 | 0 | 0 | 0 | 0 | 111 | N20 G21 Q22 | S18-N20 PolarHBondContact O-N 3.47Å; S18-G21 PolarHBondContact O-N 3.49Å; S18-Q22 PolarHBondContact N-O 2.86Å | ||
| 19 | P | 30.8 | Very low | 33.7 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 87% | 0.87 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -8.9 | -176.2 | 18.2 | -30.2 | 0 | 0 | 0 | 115.9 | ||
| 20 | N | 36.5 | Very low | 33.6 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 16 | 172.6 | -68.7 | -4.5 | 0 | 0 | 0 | 113.8 | S18 Q22 | S18-N20 PolarHBondContact O-N 3.47Å; N20-Q22 VanDerWaalsContact C-N 3.27Å; N20-Q22 PolarHBondContact O-N 2.83Å |
| 21 | G | 35.7 | Very low | 33.3 | Very low | 25 Ų | 25 | 117.3 Ų | 117.3 | 26% | 0.258 | 67% | 0.668 | S | S | . | * | S | Bend | trans | 71 | 18.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S18 Q162 | S18-G21 PolarHBondContact O-N 3.49Å; G21-Q162 PolarHBondContact O-NE2 2.85Å |
| 22 | Q | 36.9 | Very low | 33.6 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 58% | 0.575 | 67% | 0.667 | S | S | * | * | trans | -85.6 | 121.6 | 173.2 | -69.6 | -167.8 | -86.3 | 0 | 0 | 110.4 | S18 N20 | S18-Q22 PolarHBondContact N-O 2.86Å; N20-Q22 VanDerWaalsContact C-N 3.27Å; N20-Q22 PolarHBondContact O-N 2.83Å | ||
| 23 | V | 34.2 | Very low | 33.4 | Very low | 49 Ų | 49 | 118 Ų | 118 | 30% | 0.297 | 67% | 0.666 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 106.6 | 165.8 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | W15 V17 L146 | W15-V23 HydrophobicContact CE3-CG1 3.6Å; W15-V23 HydrophobicContact CZ3-CG1 3.94Å; V17-V23 HydrophobicContact CG2-CG2 4.35Å; V23-L146 HydrophobicContact CG1-CD1 4.23Å |
| 24 | K | 35.4 | Very low | 33.5 | Very low | 156 Ų | 156 | 118.6 Ų | 118.6 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90 | 113.3 | 175.8 | -168 | 178.6 | 179.5 | -172.5 | 0 | 109 | ||
| 25 | R | 35.9 | Very low | 33.5 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 53% | 0.525 | 67% | 0.674 | S | S | . | * | trans | -90.4 | 114.2 | 167.8 | -160.2 | 175.2 | -179 | 178.8 | -5.7 | 108.4 | W15 M27 | W15-R25 HydrophobicContact CE3-CB 4.5Å; W15-R25 HydrophobicContact CE3-CG 4.46Å; W15-R25 HydrophobicContact CH2-CB 4.17Å; W15-R25 VanDerWaalsContact CH2-CD 3.44Å; W15-R25 HydrophobicContact CH2-CG 3.5Å; W15-R25 HydrophobicContact CZ3-CB 3.6Å; W15-R25 HydrophobicContact CZ3-CG 3.44Å; W15-R25 VanDerWaalsContact CZ3-CG 3.44Å; R25-M27 HydrophobicContact CG-CG 4.29Å; R25-M27 PolarHBondContact O-N 3.08Å | ||
| 26 | E | 35.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 118.9 Ų | 118.9 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -72.7 | 114.2 | 165.8 | -75.6 | -171.1 | 127.7 | 0 | 0 | 108.6 | ||||
| 27 | M | 33.4 | Very low | 33.9 | Very low | 133 Ų | 133 | 119 Ų | 119 | 66% | 0.655 | 70% | 0.699 | S | S | * | * | trans | -111.4 | 122.5 | 171.1 | -78.9 | -175.9 | 141.8 | 0 | 0 | 109.2 | R25 | R25-M27 HydrophobicContact CG-CG 4.29Å; R25-M27 PolarHBondContact O-N 3.08Å | ||
| 28 | A | 31.4 | Very low | 34 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 90% | 0.901 | 71% | 0.71 | S | S | * | * | trans | -68.6 | 131.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 29 | V | 31.8 | Very low | 34.3 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 78% | 0.782 | 73% | 0.733 | S | S | * | * | trans | -93.2 | 126.2 | -177.4 | 172.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 30 | E | 31.4 | Very low | 34.6 | Very low | 200 Ų | 200 | 119.4 Ų | 119.4 | 94% | 0.935 | 73% | 0.727 | S | S | * | * | trans | -116 | 130.3 | 152.9 | -77 | -145.7 | 117.8 | 0 | 0 | 109.2 | ||||
| 31 | A | 30.4 | Very low | 34.6 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -100.4 | 134.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 32 | A | 36.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 121 Ų | 121 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | trans | -126.6 | 132.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | R | 30.4 | Very low | 34.4 | Very low | 221 Ų | 221 | 120.5 Ų | 120.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -100.4 | 144 | -169.5 | -179.9 | -176.9 | 171 | -169.3 | -0.7 | 110.1 | E35 | R33-E35 IonicContact CZ-OE2 2.83Å; R33-E35 VanDerWaalsContact CZ-OE2 3.29Å; R33-E35 IonicContact NE-OE2 3.99Å; R33-E35 PolarHBondContact NE-OE2 3.27Å; R33-E35 IonicContact NH2-OE2 3.87Å; R33-E35 PolarHBondContact NH2-OE2 3.33Å | ||
| 34 | G | 35.2 | Very low | 34.4 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -166.2 | 119.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 35 | E | 31.6 | Very low | 34.3 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | -101.8 | 158.3 | -174 | -71.5 | 161.8 | 78.7 | 0 | 0 | 112.5 | R33 | R33-E35 IonicContact CZ-OE2 2.83Å; R33-E35 VanDerWaalsContact CZ-OE2 3.29Å; R33-E35 IonicContact NE-OE2 3.99Å; R33-E35 PolarHBondContact NE-OE2 3.27Å; R33-E35 IonicContact NH2-OE2 3.87Å; R33-E35 PolarHBondContact NH2-OE2 3.33Å | ||
| 36 | G | 35 | Very low | 34.4 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | trans | 149.1 | 98.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 37 | A | 37.3 | Very low | 34.2 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 88% | 0.884 | 84% | 0.84 | S | S | * | * | 83.9 | 145.1 | 90.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 38 | A | 35.9 | Very low | 34.3 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | cis | -175.7 | 159.5 | -24.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 39 | A | 39.3 | Very low | 34.4 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 86% | 0.86 | 85% | 0.852 | S | S | * | * | trans | 74.9 | 151.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 40 | A | 38.5 | Very low | 34.3 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 85% | 0.854 | S | S | * | * | cis | -170.9 | 128.8 | -21.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 41 | A | 35.8 | Very low | 34.5 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 93% | 0.926 | 85% | 0.854 | S | S | * | * | 68.5 | 126.9 | 111.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 42 | G | 34.7 | Very low | 34.7 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | trans | 170.3 | 102.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 43 | A | 33.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 92% | 0.917 | 85% | 0.851 | S | S | * | * | trans | -89.3 | 156.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 44 | G | 35.5 | Very low | 34.7 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | -170.6 | 103.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 45 | E | 31.9 | Very low | 34.8 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | trans | -94.4 | 132.5 | 174.4 | -65.7 | 171.1 | 150.9 | 0 | 0 | 108.6 | ||||
| 46 | E | 38 | Very low | 35 | Very low | 200 Ų | 200 | 131.6 Ų | 131.6 | 94% | 0.935 | 86% | 0.856 | S | S | * | * | trans | -136.3 | 120.8 | 157.8 | -69.9 | -173.4 | 157.6 | 0 | 0 | 108 | ||||
| 47 | E | 32 | Very low | 35.1 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 86% | 0.863 | S | S | * | * | trans | -86.2 | 135.6 | 174.9 | -62 | 176.8 | 139.6 | 0 | 0 | 109.3 | ||||
| 48 | E | 34.8 | Very low | 34.9 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | trans | -138.9 | 145.2 | 156.3 | -154.7 | -178 | 135.8 | 0 | 0 | 111 | ||||
| 49 | E | 33.4 | Very low | 35 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 89% | 0.893 | 86% | 0.857 | S | S | * | * | trans | -74.5 | 166.2 | -160.3 | -73.8 | 179.1 | 117 | 0 | 0 | 117 | ||||
| 50 | V | 29.6 | Very low | 34.8 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 82% | 0.824 | 86% | 0.862 | S | S | * | * | trans | -61.7 | 139.2 | -178.9 | 177.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 51 | Q | 35.2 | Very low | 34.5 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 92% | 0.921 | 86% | 0.859 | S | S | * | * | trans | -143.3 | 133.8 | 139.5 | -157.2 | 156.5 | 13.3 | 0 | 0 | 113.1 | ||||
| 52 | A | 35.1 | Very low | 34.6 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 76% | 0.76 | 86% | 0.858 | S | S | * | * | trans | -82.2 | 157 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 53 | G | 33 | Very low | 34.6 | Very low | 85 Ų | 85 | 136 Ų | 136 | 88% | 0.876 | 85% | 0.851 | S | S | * | * | trans | 103.9 | 82.9 | 138 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 54 | G | 34.8 | Very low | 35.1 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 85% | 0.85 | S | S | * | * | trans | -163.2 | 100.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I56 | G54-I56 PolarHBondContact O-N 3.47Š| ||
| 55 | M | 35.4 | Very low | 36.2 | Very low | 202 Ų | 202 | 146 Ų | 146 | 100% | 0.995 | 85% | 0.854 | S | S | * | * | trans | -69.1 | 106.4 | 167.2 | -86.3 | -177.1 | -90.7 | 0 | 0 | 108.6 | ||||
| 56 | I | 37.1 | Very low | 37.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | trans | -114.6 | 126.4 | 162 | 53.2 | 171.4 | 0 | 0 | 0 | 108.3 | G54 A58 | G54-I56 PolarHBondContact O-N 3.47Å; I56-A58 PolarHBondContact O-N 3.28Å; I56-A58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | A | 35.7 | Very low | 40.1 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | trans | -62.2 | 112.7 | 173 | 0 | 0 | 0 | 0 | 0 | 108.5 | A59 | A57-A59 PolarHBondContact O-N 2.87Å; A57-A59 VanDerWaalsContact O-N 3.1Å | ||
| 58 | A | 34.3 | Very low | 42.7 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | -71.2 | 106 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109 | I56 V60 | I56-A58 PolarHBondContact O-N 3.28Å; I56-A58 VanDerWaalsContact O-N 3.14Å; A58-V60 PolarHBondContact O-N 3.13Å | ||
| 59 | A | 37.2 | Very low | 45.2 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -57.9 | 117.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | A57 G61 | A57-A59 PolarHBondContact O-N 2.87Å; A57-A59 VanDerWaalsContact O-N 3.1Å; A59-G61 VanDerWaalsContact C-N 3.33Å; A59-G61 PolarHBondContact O-N 2.78Å | ||
| 60 | V | 35.4 | Very low | 47.8 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 96% | 0.964 | 81% | 0.809 | S | S | * | * | trans | -73.4 | 93.5 | 170.2 | -104.2 | 0 | 0 | 0 | 0 | 107.5 | A58 | A58-V60 PolarHBondContact O-N 3.13Š| ||
| 61 | G | 32.5 | Very low | 50.7 | Low | 66 Ų | 66 | 125.5 Ų | 125.5 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -173.1 | 83.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A59 | A59-G61 VanDerWaalsContact C-N 3.33Å; A59-G61 PolarHBondContact O-N 2.78Å | ||
| 62 | D | 38.7 | Very low | 53.4 | Low | 167 Ų | 167 | 128.1 Ų | 128.1 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | -167.5 | 142.3 | 126.9 | -131.8 | -21.1 | 0 | 0 | 0 | 110.6 | F64 | D62-F64 PolarHBondContact O-N 2.77Š| |||
| 63 | G | 33.7 | Very low | 56 | Low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -73.9 | 115.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 64 | F | 44.2 | Very low | 58.7 | Low | 204 Ų | 204 | 128.5 Ų | 128.5 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -82.2 | 113.4 | 137.2 | -82.6 | -93.8 | 0 | 0 | 0 | 106.2 | D62 G66 | D62-F64 PolarHBondContact O-N 2.77Å; F64-G66 PolarHBondContact O-N 2.87Å | ||
| 65 | E | 57.3 | Low | 61.1 | Low | 197 Ų | 197 | 128.8 Ų | 128.8 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | trans | -62 | 91.6 | 165.6 | -150.9 | 176.7 | 139.2 | 0 | 0 | 106.3 | V67 | E65-V67 PolarHBondContact O-N 2.82Š| ||
| 66 | G | 68.4 | Low | 63.6 | Low | 58 Ų | 58 | 122 Ų | 122 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | trans | -60.7 | 127.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F64 E68 | F64-G66 PolarHBondContact O-N 2.87Å; G66-E68 PolarHBondContact O-N 2.87Å | ||
| 67 | V | 84 | Confident | 66.2 | Low | 139 Ų | 139 | 119 Ų | 119 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | trans | -68.5 | 105.7 | 171.6 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | E65 | E65-V67 PolarHBondContact O-N 2.82Š| ||
| 68 | E | 86.1 | Confident | 68.9 | Low | 131 Ų | 131 | 114.7 Ų | 114.7 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | trans | -81.6 | 138.9 | 174.2 | -66.6 | -169 | 160.2 | 0 | 0 | 110.2 | G66 K139 | G66-E68 PolarHBondContact O-N 2.87Å; E68-K139 IonicContact OE1-NZ 3.12Å; E68-K139 PolarHBondContact OE1-NZ 2.93Å | ||
| 69 | I | 87.8 | Confident | 71.7 | Confident | 135 Ų | 135 | 112.3 Ų | 112.3 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | trans | -115.2 | 141.8 | 173.1 | 60.6 | 168.9 | 0 | 0 | 0 | 110.1 | V71 | I69-V71 HydrophobicContact CD1-CG1 3.83Å; I69-V71 HydrophobicContact CG1-CG1 4.14Å | ||
| 70 | S | 89.1 | Confident | 74.5 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 85% | 0.846 | 61% | 0.614 | S | S | * | * | trans | -89.8 | 120 | 171.5 | -71.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 71 | V | 90.2 | Very high | 77.2 | Confident | 92 Ų | 92 | 103.8 Ų | 103.8 | 56% | 0.558 | 59% | 0.591 | S | S | * | * | trans | -121.8 | 147.7 | 178.1 | -64.9 | 0 | 0 | 0 | 0 | 110.6 | I69 I73 | I69-V71 HydrophobicContact CD1-CG1 3.83Å; I69-V71 HydrophobicContact CG1-CG1 4.14Å; V71-I73 HydrophobicContact CG2-CD1 3.8Å; V71-I73 HydrophobicContact CG2-CG1 4.01Å | ||
| 72 | R | 90.6 | Very high | 80 | Confident | 252 Ų | 252 | 103.7 Ų | 103.7 | 95% | 0.951 | 57% | 0.574 | S | S | * | * | trans | -101.9 | 116.1 | 173 | -61.7 | -179.9 | 75.9 | 114.4 | -0.5 | 108.4 | ||||
| 73 | I | 89.6 | Confident | 82.6 | Confident | 74 Ų | 74 | 98 Ų | 98 | 38% | 0.379 | 55% | 0.547 | S | S | . | . | trans | -122.1 | 138.1 | 179.4 | -55.8 | 173.2 | 0 | 0 | 0 | 107.2 | V71 L75 V77 L78 F134 | V71-I73 HydrophobicContact CG2-CD1 3.8Å; V71-I73 HydrophobicContact CG2-CG1 4.01Å; I73-L75 PolarHBondContact O-N 2.71Å; I73-V77 HydrophobicContact CG2-CB 4.28Å; I73-L78 HydrophobicContact CG2-CG 4.39Å; I73-F134 HydrophobicContact CD1-CE1 4.45Å; I73-F134 HydrophobicContact CD1-CZ 3.77Å | ||
| 74 | D | 90.5 | Very high | 85.5 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 60% | 0.599 | 54% | 0.544 | S | S | * | . | trans | -62.8 | 122.8 | 169.7 | -177.7 | -14 | 0 | 0 | 0 | 109.1 | A76 V77 | D74-A76 PolarHBondContact O-N 3.4Å; D74-A76 VanDerWaalsContact O-N 3.14Å; D74-A76 WeakPolarHBondContact OD1-CB 3.41Å; D74-A76 PolarHBondContact OD1-N 2.88Å; D74-V77 HydrophobicContact CB-CG2 3.99Å; D74-V77 VanDerWaalsContact O-CB 3.25Å; D74-V77 WeakPolarHBondContact O-CB 3.47Å; D74-V77 PolarHBondContact O-N 3.14Å | ||
| 75 | L | 85.7 | Confident | 87.8 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -54.9 | -34.8 | -177.5 | -155.9 | 67.8 | 0 | 0 | 0 | 112.4 | I73 V77 L78 H79 Y155 | I73-L75 PolarHBondContact O-N 2.71Å; L75-V77 PolarHBondContact O-N 3.25Å; L75-L78 PolarHBondContact O-N 2.86Å; L75-H79 PolarHBondContact O-N 2.78Å; L75-Y155 HydrophobicContact CD1-CD2 3.94Å; L75-Y155 HydrophobicContact CD1-CE2 3.19Å; L75-Y155 HydrophobicContact CG-CE2 3.98Å |
| 76 | A | 88 | Confident | 89.5 | Confident | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -62.1 | -25.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D74 L78 H79 | D74-A76 PolarHBondContact O-N 3.4Å; D74-A76 VanDerWaalsContact O-N 3.14Å; D74-A76 WeakPolarHBondContact OD1-CB 3.41Å; D74-A76 PolarHBondContact OD1-N 2.88Å; A76-L78 PolarHBondContact O-N 3.06Å; A76-H79 PolarHBondContact O-N 3.26Å |
| 77 | V | 91.4 | Very high | 90.8 | Very high | 93 Ų | 93 | 86.3 Ų | 86.3 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -68.4 | -26.3 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | I73 D74 L75 | I73-V77 HydrophobicContact CG2-CB 4.28Å; D74-V77 HydrophobicContact CB-CG2 3.99Å; D74-V77 VanDerWaalsContact O-CB 3.25Å; D74-V77 WeakPolarHBondContact O-CB 3.47Å; D74-V77 PolarHBondContact O-N 3.14Å; L75-V77 PolarHBondContact O-N 3.25Å |
| 78 | L | 92.8 | Very high | 91.3 | Very high | 16 Ų | 16 | 84.1 Ų | 84.1 | 8% | 0.084 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -97.6 | 4 | 178.2 | -53.2 | -178.7 | 0 | 0 | 0 | 112.8 | I73 L75 A76 L87 F134 L135 Y155 | I73-L78 HydrophobicContact CG2-CG 4.39Å; L75-L78 PolarHBondContact O-N 2.86Å; A76-L78 PolarHBondContact O-N 3.06Å; L78-L87 VanDerWaalsContact O-CB 3.32Å; L78-L87 WeakPolarHBondContact O-CB 3.19Å; L78-L87 WeakPolarHBondContact O-CG 3.42Å; L78-L87 PolarHBondContact O-N 3.06Å; L78-F134 HydrophobicContact CD2-CE1 3.95Å; L78-L135 HydrophobicContact CD2-CD2 4.1Å; L78-Y155 HydrophobicContact CB-CD1 4Å; L78-Y155 HydrophobicContact CB-CE1 3.29Å; L78-Y155 HydrophobicContact CD1-CD1 3.79Å; L78-Y155 HydrophobicContact CD1-CD2 4.44Å; L78-Y155 HydrophobicContact CD1-CE1 3.89Å; L78-Y155 HydrophobicContact CD1-CG 4.05Å; L78-Y155 HydrophobicContact CG-CE1 4.24Å |
| 79 | H | 93.7 | Very high | 91.7 | Very high | 44 Ų | 44 | 79 Ų | 79 | 20% | 0.204 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 148.6 | 173 | -71.3 | 175.1 | 0 | 0 | 0 | 111.4 | L75 A76 L84 L85 Y155 | L75-H79 PolarHBondContact O-N 2.78Å; A76-H79 PolarHBondContact O-N 3.26Å; H79-L84 PolarHBondContact ND1-O 3.33Å; H79-L85 CarbonylContact C-O 3.46Å; H79-L85 WeakPolarHBondContact CA-O 3.46Å; H79-Y155 PolarHBondContact CD2-OH 3.17Å; H79-Y155 PolarHBondContact NE2-OH 2.96Å |
| 80 | C | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | trans | -63.5 | 124 | 169.2 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | L82 C83 L84 L85 L87 C101 | C80-L82 PolarHBondContact O-N 2.81Å; C80-C83 VanDerWaalsContact CB-SG 3.57Å; C80-C83 PolarHBondContact O-N 2.98Å; C80-L84 WeakPolarHBondContact O-CA 3.44Å; C80-L84 PolarHBondContact O-N 3.08Å; C80-L85 PolarHBondContact N-O 2.85Å; C80-L87 HydrophobicContact CB-CD2 3.86Å; C80-L87 HydrophobicContact CB-CG 4.49Å; C80-C101 HydrophobicContact CB-CB 3.94Å; C80-C101 PolarHBondContact SG-N 3.47Å | ||
| 81 | P | 92.4 | Very high | 92.4 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.4 | -178.3 | 27.2 | -35.2 | 0 | 0 | 0 | 113.3 | L99 | P81-L99 VanDerWaalsContact CD-O 3.31Å; P81-L99 WeakPolarHBondContact CD-O 3.44Å; P81-L99 HydrophobicContact CG-CB 4.47Å; P81-L99 WeakPolarHBondContact CG-O 3.31Å |
| 82 | L | 91 | Very high | 92.7 | Very high | 63 Ų | 63 | 65.2 Ų | 65.2 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -40.5 | -178.1 | -56.9 | 173.4 | 0 | 0 | 0 | 113 | C80 A100 C104 H114 | C80-L82 PolarHBondContact O-N 2.81Å; L82-A100 HydrophobicContact CD1-CB 3.92Å; L82-C104 HydrophobicContact CB-CB 4.01Å; L82-C104 HydrophobicContact CD1-CB 3.61Å; L82-C104 HydrophobicContact CG-CB 4.44Å; L82-H114 HydrophobicContact CD2-CB 4.13Å |
| 83 | C | 93.8 | Very high | 92.9 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 32% | 0.324 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -5 | -178.6 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | C80 L85 C104 | C80-C83 VanDerWaalsContact CB-SG 3.57Å; C80-C83 PolarHBondContact O-N 2.98Å; C83-L85 HydrophobicContact CB-CG 4.47Å; C83-L85 PolarHBondContact O-N 2.81Å; C83-L85 VanDerWaalsContact O-N 3.13Å; C83-C104 VanDerWaalsContact SG-SG 3.65Å |
| 84 | L | 93.5 | Very high | 93.1 | Very high | 123 Ų | 123 | 53.5 Ų | 53.5 | 64% | 0.644 | 30% | 0.299 | S | S | * | . | trans | 60.1 | 17.4 | -179.4 | -49.1 | 179.1 | 0 | 0 | 0 | 114.8 | H79 C80 | H79-L84 PolarHBondContact ND1-O 3.33Å; C80-L84 WeakPolarHBondContact O-CA 3.44Å; C80-L84 PolarHBondContact O-N 3.08Å | ||
| 85 | L | 93.1 | Very high | 93.1 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 59% | 0.586 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -93.2 | 155 | 173.4 | -60.7 | 176.7 | 0 | 0 | 0 | 111.3 | H79 C80 C83 L87 | H79-L85 CarbonylContact C-O 3.46Å; H79-L85 WeakPolarHBondContact CA-O 3.46Å; C80-L85 PolarHBondContact N-O 2.85Å; C83-L85 HydrophobicContact CB-CG 4.47Å; C83-L85 PolarHBondContact O-N 2.81Å; C83-L85 VanDerWaalsContact O-N 3.13Å; L85-L87 PolarHBondContact O-N 3.15Å |
| 86 | P | 93 | Very high | 93.3 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -49.9 | 129.3 | 175.8 | -28.5 | 35.7 | 0 | 0 | 0 | 113.6 | K88 Y155 | P86-K88 PolarHBondContact O-N 3.01Å; P86-Y155 HydrophobicContact CB-CE1 3.94Å |
| 87 | L | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 121.7 | 171.3 | -72.7 | 169.2 | 0 | 0 | 0 | 109.1 | L78 C80 L85 T91 L99 C101 L131 L135 | L78-L87 VanDerWaalsContact O-CB 3.32Å; L78-L87 WeakPolarHBondContact O-CB 3.19Å; L78-L87 WeakPolarHBondContact O-CG 3.42Å; L78-L87 PolarHBondContact O-N 3.06Å; C80-L87 HydrophobicContact CB-CD2 3.86Å; C80-L87 HydrophobicContact CB-CG 4.49Å; L85-L87 PolarHBondContact O-N 3.15Å; L87-T91 HydrophobicContact CB-CG2 4.01Å; L87-T91 HydrophobicContact CD2-CG2 4.25Å; L87-L99 HydrophobicContact CD1-CD1 3.9Å; L87-C101 HydrophobicContact CD2-CB 4.07Å; L87-L131 HydrophobicContact CD1-CD2 4.31Å; L87-L135 HydrophobicContact CB-CD1 3.68Å; L87-L135 HydrophobicContact CB-CD2 4.47Å |
| 88 | K | 94.8 | Very high | 93.6 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 41% | 0.409 | 30% | 0.301 | S | S | . | . | trans | -110.5 | 136.6 | 172.3 | -51.1 | -142.3 | 176.6 | -161.8 | 0 | 109.2 | P86 P90 H156 D157 | P86-K88 PolarHBondContact O-N 3.01Å; K88-P90 CarbonylContact O-C 3.59Å; K88-H156 HydrophobicContact CB-CB 4.47Å; K88-H156 HydrophobicContact CD-CB 4.17Å; K88-H156 WeakPolarHBondContact CE-O 3.41Å; K88-H156 HydrophobicContact CG-CB 3.94Å; K88-H156 PolarHBondContact NZ-O 3.01Å; K88-D157 IonicContact NZ-OD1 2.94Å; K88-D157 PolarHBondContact NZ-OD1 2.86Å | ||
| 89 | P | 95.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -56.3 | 137.2 | 168.1 | -25.7 | 34.8 | 0 | 0 | 0 | 111.6 | D132 L135 R136 | P89-D132 HydrophobicContact CB-CB 4.02Å; P89-D132 HydrophobicContact CG-CB 4.32Å; P89-L135 HydrophobicContact CG-CB 4.06Å; P89-R136 HydrophobicContact CG-CG 3.95Å |
| 90 | P | 95.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | S | Bend | cis | -79.5 | 140.5 | -0.9 | 30.9 | -30.7 | 0 | 0 | 0 | 113.3 | K88 Y92 S102 R127 D132 | K88-P90 CarbonylContact O-C 3.59Å; P90-Y92 HydrophobicContact CG-CE2 4.45Å; P90-S102 WeakPolarHBondContact CD-OG 3.37Å; P90-S102 WeakPolarHBondContact CG-OG 3.4Å; P90-S102 PolarHBondContact O-OG 2.81Å; P90-R127 VanDerWaalsContact CB-NH1 3.35Å; P90-D132 WeakPolarHBondContact CA-OD2 3.32Å |
| 91 | T | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -105.4 | 156.6 | 176.1 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | L87 R127 C128 L131 D132 L135 | L87-T91 HydrophobicContact CB-CG2 4.01Å; L87-T91 HydrophobicContact CD2-CG2 4.25Å; T91-R127 WeakPolarHBondContact O-CA 3.39Å; T91-C128 PolarHBondContact O-N 3.46Å; T91-L131 HydrophobicContact CG2-CD2 4.25Å; T91-L131 HydrophobicContact CG2-CG 4.45Å; T91-D132 WeakPolarHBondContact CB-OD1 3.34Å; T91-D132 WeakPolarHBondContact CG2-OD1 3.13Å; T91-D132 PolarHBondContact N-OD1 3.47Å; T91-D132 PolarHBondContact OG1-OD1 2.74Å; T91-L135 HydrophobicContact CG2-CD1 3.41Å; T91-L135 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 92 | Y | 95.6 | Very high | 93.8 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 137.6 | -175.1 | -63.2 | -95.7 | 0 | 0 | 0 | 110.9 | P90 L99 A100 H105 A126 R127 | P90-Y92 HydrophobicContact CG-CE2 4.45Å; Y92-L99 CarbonylContact O-C 3.46Å; Y92-L99 VanDerWaalsContact O-CA 3.27Å; Y92-L99 WeakPolarHBondContact O-CA 3.39Å; Y92-A100 PolarHBondContact N-O 3.31Å; Y92-A100 PolarHBondContact O-N 3.4Å; Y92-H105 HydrophobicContact CD1-CB 4.38Å; Y92-H105 AromaticContact CD1-CD2 3.49Å; Y92-H105 VanDerWaalsContact CD1-CD2 3.49Å; Y92-H105 WeakPolarHBondContact CD1-CD2 3.31Å; Y92-H105 AromaticContact CD1-CE1 3.76Å; Y92-H105 AromaticContact CD1-CG 3.61Å; Y92-H105 AromaticContact CD1-ND1 3.78Å; Y92-H105 AromaticContact CD1-NE2 3.58Å; Y92-H105 HydrophobicContact CD2-CB 3.7Å; Y92-H105 AromaticContact CD2-CG 3.77Å; Y92-H105 AromaticContact CE1-CD2 3.93Å; Y92-H105 AromaticContact CE1-CE1 3.38Å; Y92-H105 WeakPolarHBondContact CE1-CE1 3.47Å; Y92-H105 AromaticContact CE1-CG 3.81Å; Y92-H105 AromaticContact CE1-ND1 3.46Å; Y92-H105 WeakPolarHBondContact CE1-ND1 3.42Å; Y92-H105 AromaticContact CE1-NE2 3.66Å; Y92-H105 HydrophobicContact CE2-CB 4.14Å; Y92-H105 AromaticContact CE2-CG 3.99Å; Y92-H105 AromaticContact CE2-ND1 3.83Å; Y92-H105 HydrophobicContact CG-CB 3.85Å; Y92-H105 AromaticContact CG-CD2 3.74Å; Y92-H105 AromaticContact CG-CG 3.59Å; Y92-H105 AromaticContact CZ-CE1 3.82Å; Y92-H105 AromaticContact CZ-CG 3.99Å; Y92-H105 AromaticContact CZ-ND1 3.49Å; Y92-A126 CarbonylContact C-O 3.56Å; Y92-A126 WeakPolarHBondContact CA-O 3.43Å; Y92-R127 HydrophobicContact CD1-CG 4.22Å; Y92-R127 HydrophobicContact CE1-CG 3.7Å |
| 93 | Q | 94.8 | Very high | 94 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.5 | -179.4 | -172.2 | 174 | 27.6 | 0 | 0 | 109.9 | G97 H98 L99 A126 C128 | Q93-G97 PolarHBondContact NE2-O 3.09Å; Q93-H98 VanDerWaalsContact CA-O 3.29Å; Q93-H98 WeakPolarHBondContact CA-O 3.33Å; Q93-L99 HydrophobicContact CB-CD2 3.8Å; Q93-L99 HydrophobicContact CG-CD2 3.77Å; Q93-A126 PolarHBondContact N-O 2.8Å; Q93-A126 PolarHBondContact O-N 3.21Å; Q93-C128 HydrophobicContact CB-CB 3.93Å; Q93-C128 PolarHBondContact OE1-SG 3.12Å |
| 94 | C | 93.2 | Very high | 94 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | trans | -85.6 | 167.3 | 171.4 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | A96 G97 H98 C113 C116 V124 Y125 | C94-A96 PolarHBondContact O-N 2.96Å; C94-G97 PolarHBondContact O-N 3.06Å; C94-H98 PolarHBondContact N-O 3.12Å; C94-H98 VanDerWaalsContact SG-CB 3.6Å; C94-H98 PolarHBondContact SG-N 2.84Å; C94-H98 VanDerWaalsContact SG-N 3.42Å; C94-H98 PolarHBondContact SG-ND1 3.37Å; C94-C113 HydrophobicContact CB-CB 3.8Å; C94-C116 VanDerWaalsContact SG-SG 3.7Å; C94-V124 WeakPolarHBondContact CA-O 3.34Å; C94-Y125 HydrophobicContact CB-CD1 3.98Å; C94-Y125 HydrophobicContact CB-CE1 4.22Å | ||
| 95 | A | 91.3 | Very high | 93.9 | Very high | 108 Ų | 108 | 42.8 Ų | 42.8 | 89% | 0.893 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G97 | A95-G97 VanDerWaalsContact C-N 3.34Š|
| 96 | A | 91 | Very high | 93.6 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 0.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C94 | C94-A96 PolarHBondContact O-N 2.96Š|
| 97 | G | 91.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | trans | 94.7 | -7.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q93 C94 A95 L99 | Q93-G97 PolarHBondContact NE2-O 3.09Å; C94-G97 PolarHBondContact O-N 3.06Å; A95-G97 VanDerWaalsContact C-N 3.34Å; G97-L99 PolarHBondContact O-N 3.3Å | ||
| 98 | H | 92.5 | Very high | 92.4 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | trans | -62.9 | 136.8 | 176.4 | -54.1 | 114 | 0 | 0 | 0 | 111.7 | Q93 C94 C113 T115 C116 Y125 | Q93-H98 VanDerWaalsContact CA-O 3.29Å; Q93-H98 WeakPolarHBondContact CA-O 3.33Å; C94-H98 PolarHBondContact N-O 3.12Å; C94-H98 VanDerWaalsContact SG-CB 3.6Å; C94-H98 PolarHBondContact SG-N 2.84Å; C94-H98 VanDerWaalsContact SG-N 3.42Å; C94-H98 PolarHBondContact SG-ND1 3.37Å; H98-C113 VanDerWaalsContact CB-SG 3.6Å; H98-C113 PolarHBondContact ND1-SG 2.98Å; H98-C113 VanDerWaalsContact ND1-SG 3.43Å; H98-T115 VanDerWaalsContact NE2-CG2 3.26Å; H98-T115 WeakPolarHBondContact NE2-CG2 3.33Å; H98-C116 PolarHBondContact ND1-SG 3.34Å; H98-Y125 HydrophobicContact CB-CE1 4.35Å; H98-Y125 WeakPolarHBondContact O-CE1 3.38Å | ||
| 99 | L | 94.2 | Very high | 91.6 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 152.2 | -176.8 | -59.7 | 177.6 | 0 | 0 | 0 | 112.3 | P81 L87 Y92 Q93 G97 L131 | P81-L99 VanDerWaalsContact CD-O 3.31Å; P81-L99 WeakPolarHBondContact CD-O 3.44Å; P81-L99 HydrophobicContact CG-CB 4.47Å; P81-L99 WeakPolarHBondContact CG-O 3.31Å; L87-L99 HydrophobicContact CD1-CD1 3.9Å; Y92-L99 CarbonylContact O-C 3.46Å; Y92-L99 VanDerWaalsContact O-CA 3.27Å; Y92-L99 WeakPolarHBondContact O-CA 3.39Å; Q93-L99 HydrophobicContact CB-CD2 3.8Å; Q93-L99 HydrophobicContact CG-CD2 3.77Å; G97-L99 PolarHBondContact O-N 3.3Å; L99-L131 HydrophobicContact CD1-CD2 3.87Å; L99-L131 HydrophobicContact CD2-CD2 3.68Å; L99-L131 HydrophobicContact CG-CD2 4.4Å |
| 100 | A | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L82 Y92 H105 Y125 | L82-A100 HydrophobicContact CD1-CB 3.92Å; Y92-A100 PolarHBondContact N-O 3.31Å; Y92-A100 PolarHBondContact O-N 3.4Å; A100-H105 HydrophobicContact CB-CB 4.3Å; A100-Y125 HydrophobicContact CB-CD1 4.18Å; A100-Y125 HydrophobicContact CB-CD2 4.32Å; A100-Y125 HydrophobicContact CB-CE1 3.87Å; A100-Y125 HydrophobicContact CB-CE2 3.96Å; A100-Y125 HydrophobicContact CB-CG 4.43Å |
| 101 | C | 95.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | trans | -75.4 | 167.2 | 167.4 | 72 | 0 | 0 | 0 | 0 | 110.7 | C80 L87 S103 C104 H105 | C80-C101 HydrophobicContact CB-CB 3.94Å; C80-C101 PolarHBondContact SG-N 3.47Å; L87-C101 HydrophobicContact CD2-CB 4.07Å; C101-S103 VanDerWaalsContact C-N 3.32Å; C101-S103 PolarHBondContact O-N 3.29Å; C101-C104 PolarHBondContact O-N 3.14Å; C101-C104 PolarHBondContact SG-N 3.11Å; C101-C104 VanDerWaalsContact SG-N 3.42Å; C101-H105 VanDerWaalsContact O-CB 3.26Å; C101-H105 WeakPolarHBondContact O-CB 3.33Å; C101-H105 PolarHBondContact O-N 3.49Å | ||
| 102 | S | 94.6 | Very high | 89.7 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -52.9 | -44.7 | 177.8 | -74.3 | 0 | 0 | 0 | 0 | 113.9 | P90 G106 | P90-S102 WeakPolarHBondContact CD-OG 3.37Å; P90-S102 WeakPolarHBondContact CG-OG 3.4Å; P90-S102 PolarHBondContact O-OG 2.81Å; S102-G106 PolarHBondContact O-N 3.35Å |
| 103 | S | 94.2 | Very high | 89.4 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 59% | 0.587 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64 | -55.6 | 180 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | C101 H105 G106 D107 | C101-S103 VanDerWaalsContact C-N 3.32Å; C101-S103 PolarHBondContact O-N 3.29Å; S103-H105 VanDerWaalsContact C-N 3.26Å; S103-H105 PolarHBondContact O-N 2.88Å; S103-G106 WeakPolarHBondContact O-CA 3.46Å; S103-G106 PolarHBondContact O-N 2.81Å; S103-D107 PolarHBondContact O-N 2.85Å |
| 104 | C | 93.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -33.8 | -179.8 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | L82 C83 C101 V108 | L82-C104 HydrophobicContact CB-CB 4.01Å; L82-C104 HydrophobicContact CD1-CB 3.61Å; L82-C104 HydrophobicContact CG-CB 4.44Å; C83-C104 VanDerWaalsContact SG-SG 3.65Å; C101-C104 PolarHBondContact O-N 3.14Å; C101-C104 PolarHBondContact SG-N 3.11Å; C101-C104 VanDerWaalsContact SG-N 3.42Å; C104-V108 WeakPolarHBondContact O-CG2 3.16Å |
| 105 | H | 91.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 172.5 | 165.9 | -93.1 | 0 | 0 | 0 | 112.3 | Y92 A100 C101 S103 D107 V108 | Y92-H105 HydrophobicContact CD1-CB 4.38Å; Y92-H105 AromaticContact CD1-CD2 3.49Å; Y92-H105 VanDerWaalsContact CD1-CD2 3.49Å; Y92-H105 WeakPolarHBondContact CD1-CD2 3.31Å; Y92-H105 AromaticContact CD1-CE1 3.76Å; Y92-H105 AromaticContact CD1-CG 3.61Å; Y92-H105 AromaticContact CD1-ND1 3.78Å; Y92-H105 AromaticContact CD1-NE2 3.58Å; Y92-H105 HydrophobicContact CD2-CB 3.7Å; Y92-H105 AromaticContact CD2-CG 3.77Å; Y92-H105 AromaticContact CE1-CD2 3.93Å; Y92-H105 AromaticContact CE1-CE1 3.38Å; Y92-H105 WeakPolarHBondContact CE1-CE1 3.47Å; Y92-H105 AromaticContact CE1-CG 3.81Å; Y92-H105 AromaticContact CE1-ND1 3.46Å; Y92-H105 WeakPolarHBondContact CE1-ND1 3.42Å; Y92-H105 AromaticContact CE1-NE2 3.66Å; Y92-H105 HydrophobicContact CE2-CB 4.14Å; Y92-H105 AromaticContact CE2-CG 3.99Å; Y92-H105 AromaticContact CE2-ND1 3.83Å; Y92-H105 HydrophobicContact CG-CB 3.85Å; Y92-H105 AromaticContact CG-CD2 3.74Å; Y92-H105 AromaticContact CG-CG 3.59Å; Y92-H105 AromaticContact CZ-CE1 3.82Å; Y92-H105 AromaticContact CZ-CG 3.99Å; Y92-H105 AromaticContact CZ-ND1 3.49Å; A100-H105 HydrophobicContact CB-CB 4.3Å; C101-H105 VanDerWaalsContact O-CB 3.26Å; C101-H105 WeakPolarHBondContact O-CB 3.33Å; C101-H105 PolarHBondContact O-N 3.49Å; S103-H105 VanDerWaalsContact C-N 3.26Å; S103-H105 PolarHBondContact O-N 2.88Å; H105-D107 VanDerWaalsContact C-N 3.31Å; H105-V108 PolarHBondContact O-N 2.78Å |
| 106 | G | 88.3 | Confident | 88.2 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.3 | -32 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S102 S103 V108 | S102-G106 PolarHBondContact O-N 3.35Å; S103-G106 WeakPolarHBondContact O-CA 3.46Å; S103-G106 PolarHBondContact O-N 2.81Å; G106-V108 VanDerWaalsContact C-N 3.31Å; G106-V108 PolarHBondContact O-N 2.9Å |
| 107 | D | 85 | Confident | 87 | Confident | 130 Ų | 130 | 57.5 Ų | 57.5 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -10.6 | -179.1 | -63.5 | -31.2 | 0 | 0 | 0 | 113.6 | S103 H105 P109 | S103-D107 PolarHBondContact O-N 2.85Å; H105-D107 VanDerWaalsContact C-N 3.31Å; D107-P109 WeakPolarHBondContact O-CD 3.28Å |
| 108 | V | 78.7 | Confident | 85.6 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 9% | 0.085 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -89.6 | 121.5 | -177.4 | -157.5 | 0 | 0 | 0 | 0 | 112.6 | C104 H105 G106 G110 K111 K112 H114 | C104-V108 WeakPolarHBondContact O-CG2 3.16Å; H105-V108 PolarHBondContact O-N 2.78Å; G106-V108 VanDerWaalsContact C-N 3.31Å; G106-V108 PolarHBondContact O-N 2.9Å; V108-G110 PolarHBondContact O-N 2.91Å; V108-G110 VanDerWaalsContact O-N 3.17Å; V108-K111 PolarHBondContact O-N 2.99Å; V108-K111 VanDerWaalsContact O-N 3.09Å; V108-K112 VanDerWaalsContact CG1-O 3.3Å; V108-K112 WeakPolarHBondContact CG1-O 3.3Å; V108-H114 WeakPolarHBondContact CG2-NE2 3.44Å |
| 109 | P | 77.8 | Confident | 83.6 | Confident | 111 Ų | 111 | 59.7 Ų | 59.7 | 72% | 0.721 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -56.2 | 123.4 | 171.5 | -25.1 | 35 | 0 | 0 | 0 | 111.8 | D107 K111 | D107-P109 WeakPolarHBondContact O-CD 3.28Å; P109-K111 VanDerWaalsContact C-N 3.25Å; P109-K111 PolarHBondContact O-N 2.77Å |
| 110 | G | 77.6 | Confident | 81.7 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 62% | 0.619 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | 69.6 | 15.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V108 K112 | V108-G110 PolarHBondContact O-N 2.91Å; V108-G110 VanDerWaalsContact O-N 3.17Å; G110-K112 PolarHBondContact O-N 3.07Å; G110-K112 VanDerWaalsContact O-N 3.09Å |
| 111 | K | 82 | Confident | 79.8 | Confident | 119 Ų | 119 | 64.9 Ų | 64.9 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | 57.8 | 24.4 | 176.8 | -51.8 | 174.2 | -177.8 | 175.4 | 0 | 113.6 | V108 P109 V124 Y125 | V108-K111 PolarHBondContact O-N 2.99Å; V108-K111 VanDerWaalsContact O-N 3.09Å; P109-K111 VanDerWaalsContact C-N 3.25Å; P109-K111 PolarHBondContact O-N 2.77Å; K111-V124 HydrophobicContact CB-CG1 4.1Å; K111-Y125 PolarHBondContact O-N 2.83Å |
| 112 | K | 86.7 | Confident | 78.3 | Confident | 131 Ų | 131 | 67.5 Ų | 67.5 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | B | Isolated β-bridge | trans | -73.5 | 146.9 | -177.7 | -64.7 | -179.5 | -178.5 | 178.9 | 0 | 109.8 | V108 G110 H114 G123 Y125 | V108-K112 VanDerWaalsContact CG1-O 3.3Å; V108-K112 WeakPolarHBondContact CG1-O 3.3Å; G110-K112 PolarHBondContact O-N 3.07Å; G110-K112 VanDerWaalsContact O-N 3.09Å; K112-H114 PolarHBondContact O-N 3.12Å; K112-G123 CarbonylContact C-O 3.54Å; K112-Y125 WeakPolarHBondContact O-CE2 3.26Å |
| 113 | C | 89.4 | Confident | 77.6 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.034 | 49% | 0.486 | C | S | . | . | trans | -72 | 121.4 | 172.8 | 178.8 | 0 | 0 | 0 | 0 | 110 | C94 H98 T115 C116 G117 G123 Y125 | C94-C113 HydrophobicContact CB-CB 3.8Å; H98-C113 VanDerWaalsContact CB-SG 3.6Å; H98-C113 PolarHBondContact ND1-SG 2.98Å; H98-C113 VanDerWaalsContact ND1-SG 3.43Å; C113-T115 PolarHBondContact O-N 2.89Å; C113-T115 PolarHBondContact SG-N 3.09Å; C113-C116 HydrophobicContact CB-CB 3.87Å; C113-C116 PolarHBondContact O-N 2.92Å; C113-C116 PolarHBondContact SG-N 2.88Å; C113-C116 VanDerWaalsContact SG-N 3.45Å; C113-G117 PolarHBondContact O-N 3.06Å; C113-G123 WeakPolarHBondContact CB-O 3.49Å; C113-G123 PolarHBondContact N-O 3.37Å; C113-Y125 VanDerWaalsContact CA-CE2 3.49Å; C113-Y125 HydrophobicContact CB-CE1 4.19Å; C113-Y125 HydrophobicContact CB-CE2 4.19Å; C113-Y125 PolarHBondContact SG-OH 3.42Å | ||
| 114 | H | 83 | Confident | 77.4 | Confident | 106 Ų | 106 | 66 Ų | 66 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.9 | 175.7 | -73.2 | -71.4 | 0 | 0 | 0 | 112.3 | L82 V108 K112 | L82-H114 HydrophobicContact CD2-CB 4.13Å; V108-H114 WeakPolarHBondContact CG2-NE2 3.44Å; K112-H114 PolarHBondContact O-N 3.12Å |
| 115 | T | 85.2 | Confident | 77.3 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -32.6 | -177.1 | -40.4 | 0 | 0 | 0 | 0 | 112.7 | H98 C113 G117 | H98-T115 VanDerWaalsContact NE2-CG2 3.26Å; H98-T115 WeakPolarHBondContact NE2-CG2 3.33Å; C113-T115 PolarHBondContact O-N 2.89Å; C113-T115 PolarHBondContact SG-N 3.09Å; T115-G117 VanDerWaalsContact C-N 3.29Å; T115-G117 PolarHBondContact O-N 3.12Å |
| 116 | C | 85.5 | Confident | 77.4 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 12% | 0.122 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -75.2 | -16.3 | 177.6 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | C94 H98 C113 G118 G119 G121 | C94-C116 VanDerWaalsContact SG-SG 3.7Å; H98-C116 PolarHBondContact ND1-SG 3.34Å; C113-C116 HydrophobicContact CB-CB 3.87Å; C113-C116 PolarHBondContact O-N 2.92Å; C113-C116 PolarHBondContact SG-N 2.88Å; C113-C116 VanDerWaalsContact SG-N 3.45Å; C116-G118 PolarHBondContact O-N 2.89Å; C116-G119 PolarHBondContact O-N 3.03Å; C116-G121 WeakPolarHBondContact CB-O 3.38Å |
| 117 | G | 66 | Low | 77.8 | Confident | 70 Ų | 70 | 72.2 Ų | 72.2 | 72% | 0.722 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -62.9 | -8.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | C113 T115 | C113-G117 PolarHBondContact O-N 3.06Å; T115-G117 VanDerWaalsContact C-N 3.29Å; T115-G117 PolarHBondContact O-N 3.12Å |
| 118 | G | 61.6 | Low | 78.3 | Confident | 83 Ų | 83 | 67 Ų | 67 | 86% | 0.856 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -94.4 | -9.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | C116 | C116-G118 PolarHBondContact O-N 2.89Š|
| 119 | G | 51.7 | Low | 79.1 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -146.4 | 81.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C116 G121 | C116-G119 PolarHBondContact O-N 3.03Å; G119-G121 PolarHBondContact O-N 3.37Å |
| 120 | G | 52.8 | Low | 79.9 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 100% | 1 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 61 | -29.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 121 | G | 54.5 | Low | 80.7 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 49% | 0.485 | 47% | 0.465 | S | S | . | . | trans | -105.3 | 97.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | C116 G119 G123 | C116-G121 WeakPolarHBondContact CB-O 3.38Å; G119-G121 PolarHBondContact O-N 3.37Å; G121-G123 PolarHBondContact O-N 3.23Å | ||
| 122 | G | 64.1 | Low | 81.4 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | trans | -64.4 | 77.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V124 | G122-V124 PolarHBondContact O-N 2.88Š| ||
| 123 | G | 80.8 | Confident | 81.8 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 128.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | K112 C113 G121 | K112-G123 CarbonylContact C-O 3.54Å; C113-G123 WeakPolarHBondContact CB-O 3.49Å; C113-G123 PolarHBondContact N-O 3.37Å; G121-G123 PolarHBondContact O-N 3.23Å |
| 124 | V | 89 | Confident | 82 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -100 | 133.3 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | C94 K111 G122 A126 | C94-V124 WeakPolarHBondContact CA-O 3.34Å; K111-V124 HydrophobicContact CB-CG1 4.1Å; G122-V124 PolarHBondContact O-N 2.88Å; V124-A126 PolarHBondContact O-N 3.37Å |
| 125 | Y | 92.4 | Very high | 82.5 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 2% | 0.02 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -67 | 125.9 | 171.4 | -76.9 | -56.5 | 0 | 0 | 0 | 109.9 | C94 H98 A100 K111 K112 C113 | C94-Y125 HydrophobicContact CB-CD1 3.98Å; C94-Y125 HydrophobicContact CB-CE1 4.22Å; H98-Y125 HydrophobicContact CB-CE1 4.35Å; H98-Y125 WeakPolarHBondContact O-CE1 3.38Å; A100-Y125 HydrophobicContact CB-CD1 4.18Å; A100-Y125 HydrophobicContact CB-CD2 4.32Å; A100-Y125 HydrophobicContact CB-CE1 3.87Å; A100-Y125 HydrophobicContact CB-CE2 3.96Å; A100-Y125 HydrophobicContact CB-CG 4.43Å; K111-Y125 PolarHBondContact O-N 2.83Å; K112-Y125 WeakPolarHBondContact O-CE2 3.26Å; C113-Y125 VanDerWaalsContact CA-CE2 3.49Å; C113-Y125 HydrophobicContact CB-CE1 4.19Å; C113-Y125 HydrophobicContact CB-CE2 4.19Å; C113-Y125 PolarHBondContact SG-OH 3.42Å |
| 126 | A | 93.4 | Very high | 82.8 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 49% | 0.488 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 158 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y92 Q93 V124 | Y92-A126 CarbonylContact C-O 3.56Å; Y92-A126 WeakPolarHBondContact CA-O 3.43Å; Q93-A126 PolarHBondContact N-O 2.8Å; Q93-A126 PolarHBondContact O-N 3.21Å; V124-A126 PolarHBondContact O-N 3.37Å |
| 127 | R | 95.6 | Very high | 83.2 | Confident | 158 Ų | 158 | 65.4 Ų | 65.4 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 144.6 | 173.5 | -72.6 | -172.9 | -178.5 | -119.7 | 2.2 | 109.9 | P90 T91 Y92 P129 | P90-R127 VanDerWaalsContact CB-NH1 3.35Å; T91-R127 WeakPolarHBondContact O-CA 3.39Å; Y92-R127 HydrophobicContact CD1-CG 4.22Å; Y92-R127 HydrophobicContact CE1-CG 3.7Å; R127-P129 VanDerWaalsContact O-CD 3.3Å; R127-P129 WeakPolarHBondContact O-CD 3.37Å |
| 128 | C | 95.6 | Very high | 84.5 | Confident | 19 Ų | 19 | 63 Ų | 63 | 13% | 0.128 | 44% | 0.442 | C | S | . | . | trans | -116.7 | 81.2 | 175.8 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | T91 Q93 G130 L131 D132 | T91-C128 PolarHBondContact O-N 3.46Å; Q93-C128 HydrophobicContact CB-CB 3.93Å; Q93-C128 PolarHBondContact OE1-SG 3.12Å; C128-G130 PolarHBondContact O-N 3.39Å; C128-L131 HydrophobicContact CB-CB 4.09Å; C128-L131 PolarHBondContact O-N 3.34Å; C128-L131 VanDerWaalsContact SG-CB 3.52Å; C128-D132 PolarHBondContact O-N 3.3Å | ||
| 129 | P | 96.2 | Very high | 86 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.3 | -32.9 | 179.9 | -25.3 | 34.5 | 0 | 0 | 0 | 113.9 | R127 D132 T133 | R127-P129 VanDerWaalsContact O-CD 3.3Å; R127-P129 WeakPolarHBondContact O-CD 3.37Å; P129-D132 WeakPolarHBondContact O-CB 3.43Å; P129-D132 PolarHBondContact O-N 2.68Å; P129-T133 PolarHBondContact O-N 2.94Å; P129-T133 PolarHBondContact O-OG1 2.91Å; P129-T133 VanDerWaalsContact O-OG1 3.09Å |
| 130 | G | 95.1 | Very high | 87.9 | Confident | 55 Ų | 55 | 63.9 Ų | 63.9 | 57% | 0.567 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C128 D132 T133 F134 | C128-G130 PolarHBondContact O-N 3.39Å; G130-D132 VanDerWaalsContact C-N 3.35Å; G130-T133 PolarHBondContact O-N 3.21Å; G130-F134 PolarHBondContact O-N 3.5Å; G130-F134 VanDerWaalsContact O-N 3.11Å |
| 131 | L | 94.7 | Very high | 89.9 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 174.4 | -178.8 | 59.8 | 0 | 0 | 0 | 111.4 | L87 T91 L99 C128 T133 F134 L135 | L87-L131 HydrophobicContact CD1-CD2 4.31Å; T91-L131 HydrophobicContact CG2-CD2 4.25Å; T91-L131 HydrophobicContact CG2-CG 4.45Å; L99-L131 HydrophobicContact CD1-CD2 3.87Å; L99-L131 HydrophobicContact CD2-CD2 3.68Å; L99-L131 HydrophobicContact CG-CD2 4.4Å; C128-L131 HydrophobicContact CB-CB 4.09Å; C128-L131 PolarHBondContact O-N 3.34Å; C128-L131 VanDerWaalsContact SG-CB 3.52Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.37Å; L131-F134 HydrophobicContact CD1-CD1 4.39Å; L131-F134 PolarHBondContact O-N 3.17Å; L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.04Å; L131-L135 HydrophobicContact CD2-CD1 4.49Å; L131-L135 HydrophobicContact CG-CD1 3.88Å; L131-L135 HydrophobicContact CG-CG 4.21Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.42Å |
| 132 | D | 96.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 10% | 0.096 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 174.9 | -69.8 | -15.3 | 0 | 0 | 0 | 111.8 | P89 P90 T91 C128 P129 G130 L135 R136 | P89-D132 HydrophobicContact CB-CB 4.02Å; P89-D132 HydrophobicContact CG-CB 4.32Å; P90-D132 WeakPolarHBondContact CA-OD2 3.32Å; T91-D132 WeakPolarHBondContact CB-OD1 3.34Å; T91-D132 WeakPolarHBondContact CG2-OD1 3.13Å; T91-D132 PolarHBondContact N-OD1 3.47Å; T91-D132 PolarHBondContact OG1-OD1 2.74Å; C128-D132 PolarHBondContact O-N 3.3Å; P129-D132 WeakPolarHBondContact O-CB 3.43Å; P129-D132 PolarHBondContact O-N 2.68Å; G130-D132 VanDerWaalsContact C-N 3.35Å; D132-L135 PolarHBondContact O-N 2.84Å; D132-R136 VanDerWaalsContact O-CG 3.3Å; D132-R136 WeakPolarHBondContact O-CG 3.31Å; D132-R136 PolarHBondContact O-N 2.86Å |
| 133 | T | 95 | Very high | 93.2 | Very high | 98 Ų | 98 | 58.9 Ų | 58.9 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.2 | -46.9 | 175.1 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | P129 G130 L131 R136 A137 | P129-T133 PolarHBondContact O-N 2.94Å; P129-T133 PolarHBondContact O-OG1 2.91Å; P129-T133 VanDerWaalsContact O-OG1 3.09Å; G130-T133 PolarHBondContact O-N 3.21Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-T133 PolarHBondContact O-N 3.37Å; T133-R136 PolarHBondContact O-N 2.86Å; T133-A137 PolarHBondContact O-N 3.36Å; T133-A137 VanDerWaalsContact O-N 3.15Å |
| 134 | F | 93.3 | Very high | 93.8 | Very high | 94 Ų | 94 | 59 Ų | 59 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 177.3 | 178.2 | -94.9 | 0 | 0 | 0 | 112.2 | I73 L78 G130 L131 R136 A137 A138 | I73-F134 HydrophobicContact CD1-CE1 4.45Å; I73-F134 HydrophobicContact CD1-CZ 3.77Å; L78-F134 HydrophobicContact CD2-CE1 3.95Å; G130-F134 PolarHBondContact O-N 3.5Å; G130-F134 VanDerWaalsContact O-N 3.11Å; L131-F134 HydrophobicContact CD1-CD1 4.39Å; L131-F134 PolarHBondContact O-N 3.17Å; F134-R136 VanDerWaalsContact C-N 3.27Å; F134-R136 PolarHBondContact O-N 3.11Å; F134-A137 PolarHBondContact O-N 2.8Å; F134-A137 VanDerWaalsContact O-N 3.1Å; F134-A138 HydrophobicContact CE1-CB 4.3Å; F134-A138 WeakPolarHBondContact O-CB 3.41Å; F134-A138 PolarHBondContact O-N 2.85Å |
| 135 | L | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -26.8 | -179 | -70.8 | 172.4 | 0 | 0 | 0 | 113.6 | L78 L87 P89 T91 L131 D132 Y155 H156 | L78-L135 HydrophobicContact CD2-CD2 4.1Å; L87-L135 HydrophobicContact CB-CD1 3.68Å; L87-L135 HydrophobicContact CB-CD2 4.47Å; P89-L135 HydrophobicContact CG-CB 4.06Å; T91-L135 HydrophobicContact CG2-CD1 3.41Å; T91-L135 VanDerWaalsContact CG2-CD1 3.41Å; L131-L135 HydrophobicContact CD1-CD1 4.19Å; L131-L135 HydrophobicContact CD1-CG 4.04Å; L131-L135 HydrophobicContact CD2-CD1 4.49Å; L131-L135 HydrophobicContact CG-CD1 3.88Å; L131-L135 HydrophobicContact CG-CG 4.21Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.31Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3.42Å; D132-L135 PolarHBondContact O-N 2.84Å; L135-Y155 HydrophobicContact CD2-CD1 4.47Å; L135-H156 PolarHBondContact O-CE1 3.04Å; L135-H156 PolarHBondContact O-ND1 2.84Å; L135-H156 VanDerWaalsContact O-ND1 3.1Å |
| 136 | R | 92.3 | Very high | 94 | Very high | 156 Ų | 156 | 61.5 Ų | 61.5 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -73.1 | -35.6 | 171.7 | -71.8 | 178.2 | -169.4 | -73.5 | 1.1 | 112.3 | P89 D132 T133 F134 | P89-R136 HydrophobicContact CG-CG 3.95Å; D132-R136 VanDerWaalsContact O-CG 3.3Å; D132-R136 WeakPolarHBondContact O-CG 3.31Å; D132-R136 PolarHBondContact O-N 2.86Å; T133-R136 PolarHBondContact O-N 2.86Å; F134-R136 VanDerWaalsContact C-N 3.27Å; F134-R136 PolarHBondContact O-N 3.11Å |
| 137 | A | 92.3 | Very high | 94 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 60% | 0.595 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -81 | -27.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T133 F134 K139 | T133-A137 PolarHBondContact O-N 3.36Å; T133-A137 VanDerWaalsContact O-N 3.15Å; F134-A137 PolarHBondContact O-N 2.8Å; F134-A137 VanDerWaalsContact O-N 3.1Å; A137-K139 PolarHBondContact O-N 2.88Å; A137-K139 VanDerWaalsContact O-N 3.1Å |
| 138 | A | 93.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 54.6 Ų | 54.6 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | trans | -67.3 | 107.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F134 Y155 | F134-A138 HydrophobicContact CE1-CB 4.3Å; F134-A138 WeakPolarHBondContact O-CB 3.41Å; F134-A138 PolarHBondContact O-N 2.85Å; A138-Y155 PolarHBondContact O-N 2.95Å | ||
| 139 | K | 94 | Very high | 93.8 | Very high | 100 Ų | 100 | 54 Ų | 54 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.8 | 174.2 | -57.1 | 173.2 | -164.4 | 158.5 | 0 | 110.5 | E68 A137 Y152 V153 | E68-K139 IonicContact OE1-NZ 3.12Å; E68-K139 PolarHBondContact OE1-NZ 2.93Å; A137-K139 PolarHBondContact O-N 2.88Å; A137-K139 VanDerWaalsContact O-N 3.1Å; K139-Y152 HydrophobicContact CB-CD1 4.31Å; K139-V153 CarbonylContact C-O 3.58Å; K139-V153 WeakPolarHBondContact CA-O 3.5Å |
| 140 | I | 92.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.9 | 168.1 | 71 | 166 | 0 | 0 | 0 | 109.6 | Y152 V153 Y155 V158 | I140-Y152 CarbonylContact O-C 3.39Å; I140-Y152 WeakPolarHBondContact O-CA 3.26Å; I140-V153 PolarHBondContact N-O 2.78Å; I140-V153 PolarHBondContact O-N 2.9Å; I140-Y155 HydrophobicContact CG2-CD2 4.38Å; I140-V158 HydrophobicContact CD1-CB 4.32Å; I140-V158 HydrophobicContact CD1-CG1 4.12Å; I140-V158 HydrophobicContact CD1-CG2 3.31Å; I140-V158 HydrophobicContact CG1-CG2 3.44Å; I140-V158 VanDerWaalsContact CG1-CG2 3.44Å |
| 141 | L | 94.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.1 | 170 | -170.6 | 62.1 | 0 | 0 | 0 | 109.6 | D145 Y152 | L141-D145 HydrophobicContact CD1-CB 4.36Å; L141-D145 HydrophobicContact CD2-CB 3.78Å; L141-D145 VanDerWaalsContact CD2-CG 3.42Å; L141-D145 HydrophobicContact CG-CB 3.78Å; L141-Y152 HydrophobicContact CB-CE1 4.41Å; L141-Y152 HydrophobicContact CD1-CD2 4.5Å; L141-Y152 HydrophobicContact CD1-CE2 4.22Å |
| 142 | C | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | trans | -53 | 134 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111 | N144 D145 C149 S151 V153 H161 | C142-N144 PolarHBondContact O-N 3.01Å; C142-N144 PolarHBondContact SG-N 2.91Å; C142-D145 WeakPolarHBondContact O-CB 3.33Å; C142-D145 PolarHBondContact O-N 2.91Å; C142-C149 HydrophobicContact CB-CB 4Å; C142-C149 VanDerWaalsContact SG-SG 3.66Å; C142-S151 PolarHBondContact N-O 2.94Å; C142-V153 HydrophobicContact CB-CG2 4.43Å; C142-H161 PolarHBondContact SG-CD2 3.27Å; C142-H161 PolarHBondContact SG-NE2 3.39Å | ||
| 143 | P | 92.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.4 | 175.3 | -28.7 | 37.7 | 0 | 0 | 0 | 114.5 | D145 V158 Q162 | P143-D145 VanDerWaalsContact C-N 3.3Å; P143-V158 HydrophobicContact CG-CG1 3.79Å; P143-Q162 HydrophobicContact CG-CG 4.24Å |
| 144 | N | 93.7 | Very high | 93.4 | Very high | 14 Ų | 14 | 60 Ų | 60 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 16.2 | 174.9 | -59.7 | -33 | 0 | 0 | 0 | 113.1 | C142 L146 F147 G148 C149 C165 H167 | C142-N144 PolarHBondContact O-N 3.01Å; C142-N144 PolarHBondContact SG-N 2.91Å; N144-L146 PolarHBondContact O-N 2.79Å; N144-F147 HydrophobicContact CB-CD2 4.16Å; N144-F147 CarbonylContact O-C 3.34Å; N144-F147 WeakPolarHBondContact O-CA 3.39Å; N144-F147 PolarHBondContact O-N 2.87Å; N144-G148 PolarHBondContact O-N 2.83Å; N144-C149 HydrophobicContact CB-CB 4.13Å; N144-C149 PolarHBondContact O-N 2.86Å; N144-C149 VanDerWaalsContact O-N 3.11Å; N144-C165 WeakPolarHBondContact ND2-CB 3.42Å; N144-C165 PolarHBondContact ND2-SG 2.82Å; N144-H167 HydrophobicContact CB-CB 4.39Å |
| 145 | D | 94.3 | Very high | 93.3 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -56.4 | -37.8 | 173.8 | 173.4 | 70.6 | 0 | 0 | 0 | 112.4 | L141 C142 P143 F147 G148 C149 | L141-D145 HydrophobicContact CD1-CB 4.36Å; L141-D145 HydrophobicContact CD2-CB 3.78Å; L141-D145 VanDerWaalsContact CD2-CG 3.42Å; L141-D145 HydrophobicContact CG-CB 3.78Å; C142-D145 WeakPolarHBondContact O-CB 3.33Å; C142-D145 PolarHBondContact O-N 2.91Å; P143-D145 VanDerWaalsContact C-N 3.3Å; D145-F147 PolarHBondContact O-N 3.48Å; D145-G148 PolarHBondContact O-N 2.92Å; D145-C149 VanDerWaalsContact CA-O 3.25Å; D145-C149 WeakPolarHBondContact CA-O 3.39Å |
| 146 | L | 92.3 | Very high | 93.2 | Very high | 86 Ų | 86 | 57 Ų | 57 | 45% | 0.45 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -57.9 | -21.3 | 172.7 | -67.3 | 165.9 | 0 | 0 | 0 | 113.3 | W15 V23 N144 | W15-L146 HydrophobicContact CH2-CD1 4.44Å; W15-L146 HydrophobicContact CZ3-CD1 4.27Å; V23-L146 HydrophobicContact CG1-CD1 4.23Å; N144-L146 PolarHBondContact O-N 2.79Å |
| 147 | F | 93.2 | Very high | 93.2 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -106.6 | 8.2 | 177.8 | -53.3 | -61.7 | 0 | 0 | 0 | 113.1 | N144 D145 H167 P169 L180 S182 M185 | N144-F147 HydrophobicContact CB-CD2 4.16Å; N144-F147 CarbonylContact O-C 3.34Å; N144-F147 WeakPolarHBondContact O-CA 3.39Å; N144-F147 PolarHBondContact O-N 2.87Å; D145-F147 PolarHBondContact O-N 3.48Å; F147-H167 HydrophobicContact CB-CB 4.45Å; F147-H167 WeakPolarHBondContact CB-O 3.18Å; F147-H167 PolarHBondContact O-ND1 2.93Å; F147-P169 HydrophobicContact CD1-CB 4.41Å; F147-P169 HydrophobicContact CD2-CB 4.03Å; F147-P169 HydrophobicContact CD2-CG 4.17Å; F147-P169 HydrophobicContact CE1-CB 4.13Å; F147-P169 HydrophobicContact CE2-CB 3.74Å; F147-P169 HydrophobicContact CE2-CG 3.71Å; F147-P169 HydrophobicContact CG-CB 4.37Å; F147-P169 HydrophobicContact CZ-CB 3.79Å; F147-P169 HydrophobicContact CZ-CG 4.11Å; F147-L180 HydrophobicContact CZ-CD2 4.3Å; F147-S182 WeakPolarHBondContact O-CB 3.34Å; F147-S182 PolarHBondContact O-OG 3.19Å; F147-M185 HydrophobicContact CB-SD 4.48Å; F147-M185 HydrophobicContact CD1-SD 4.44Å |
| 148 | G | 92.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 49.9 Ų | 49.9 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.9 | -2.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N144 D145 R150 | N144-G148 PolarHBondContact O-N 2.83Å; D145-G148 PolarHBondContact O-N 2.92Å; G148-R150 PolarHBondContact O-N 2.89Å; G148-R150 VanDerWaalsContact O-N 3.14Å |
| 149 | C | 93.9 | Very high | 93 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | trans | -81.5 | 94.3 | 178.8 | -164.9 | 0 | 0 | 0 | 0 | 112.4 | C142 N144 D145 S151 H167 | C142-C149 HydrophobicContact CB-CB 4Å; C142-C149 VanDerWaalsContact SG-SG 3.66Å; N144-C149 HydrophobicContact CB-CB 4.13Å; N144-C149 PolarHBondContact O-N 2.86Å; N144-C149 VanDerWaalsContact O-N 3.11Å; D145-C149 VanDerWaalsContact CA-O 3.25Å; D145-C149 WeakPolarHBondContact CA-O 3.39Å; C149-S151 PolarHBondContact O-N 2.92Å; C149-S151 PolarHBondContact SG-OG 2.86Å; C149-H167 HydrophobicContact CB-CB 3.85Å | ||
| 150 | R | 93.8 | Very high | 92.9 | Very high | 210 Ų | 210 | 48.8 Ų | 48.8 | 79% | 0.792 | 27% | 0.265 | S | S | * | . | trans | -82.9 | 17.5 | 179 | -61.3 | -174.3 | 177.5 | -178.4 | 0.8 | 114.5 | G148 | G148-R150 PolarHBondContact O-N 2.89Å; G148-R150 VanDerWaalsContact O-N 3.14Å | ||
| 151 | S | 93.5 | Very high | 93 | Very high | 39 Ų | 39 | 48 Ų | 48 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | trans | -78.3 | 139 | -176 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | C142 C149 H161 | C142-S151 PolarHBondContact N-O 2.94Å; C149-S151 PolarHBondContact O-N 2.92Å; C149-S151 PolarHBondContact SG-OG 2.86Å; S151-H161 PolarHBondContact OG-CE1 2.9Å; S151-H161 PolarHBondContact OG-NE2 3.46Å | ||
| 152 | Y | 94.5 | Very high | 92.8 | Very high | 130 Ų | 130 | 46.9 Ų | 46.9 | 51% | 0.51 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119.9 | 166.4 | -78.7 | -91.1 | 0 | 0 | 0 | 108.8 | K139 I140 L141 | K139-Y152 HydrophobicContact CB-CD1 4.31Å; I140-Y152 CarbonylContact O-C 3.39Å; I140-Y152 WeakPolarHBondContact O-CA 3.26Å; L141-Y152 HydrophobicContact CB-CE1 4.41Å; L141-Y152 HydrophobicContact CD1-CD2 4.5Å; L141-Y152 HydrophobicContact CD1-CE2 4.22Å |
| 153 | V | 93.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.3 | -174.9 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | K139 I140 C142 Y155 D157 V158 H161 | K139-V153 CarbonylContact C-O 3.58Å; K139-V153 WeakPolarHBondContact CA-O 3.5Å; I140-V153 PolarHBondContact N-O 2.78Å; I140-V153 PolarHBondContact O-N 2.9Å; C142-V153 HydrophobicContact CB-CG2 4.43Å; V153-Y155 PolarHBondContact O-N 2.85Å; V153-D157 HydrophobicContact CG1-CB 4.45Å; V153-V158 HydrophobicContact CG1-CG2 4.48Å; V153-H161 HydrophobicContact CB-CB 4.39Å; V153-H161 HydrophobicContact CG1-CB 3.59Å; V153-H161 HydrophobicContact CG2-CB 3.93Å; V153-H161 VanDerWaalsContact CG2-CG 3.44Å |
| 154 | A | 92.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 55 Ų | 55 | 21% | 0.207 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 130.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | H156 D157 V158 | A154-H156 PolarHBondContact O-N 2.49Å; A154-H156 VanDerWaalsContact O-N 3.08Å; A154-D157 PolarHBondContact O-N 2.98Å; A154-V158 PolarHBondContact O-N 3.47Å |
| 155 | Y | 92.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -51.3 | -41.4 | -171.6 | 159.5 | -105.5 | 0 | 0 | 0 | 112.9 | L75 L78 H79 P86 L135 A138 I140 V153 D157 V158 | L75-Y155 HydrophobicContact CD1-CD2 3.94Å; L75-Y155 HydrophobicContact CD1-CE2 3.19Å; L75-Y155 HydrophobicContact CG-CE2 3.98Å; L78-Y155 HydrophobicContact CB-CD1 4Å; L78-Y155 HydrophobicContact CB-CE1 3.29Å; L78-Y155 HydrophobicContact CD1-CD1 3.79Å; L78-Y155 HydrophobicContact CD1-CD2 4.44Å; L78-Y155 HydrophobicContact CD1-CE1 3.89Å; L78-Y155 HydrophobicContact CD1-CG 4.05Å; L78-Y155 HydrophobicContact CG-CE1 4.24Å; H79-Y155 PolarHBondContact CD2-OH 3.17Å; H79-Y155 PolarHBondContact NE2-OH 2.96Å; P86-Y155 HydrophobicContact CB-CE1 3.94Å; L135-Y155 HydrophobicContact CD2-CD1 4.47Å; A138-Y155 PolarHBondContact O-N 2.95Å; I140-Y155 HydrophobicContact CG2-CD2 4.38Å; V153-Y155 PolarHBondContact O-N 2.85Å; Y155-D157 PolarHBondContact O-N 2.99Å; Y155-V158 WeakPolarHBondContact O-CG2 3.19Å |
| 156 | H | 91.9 | Very high | 92.1 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -71.4 | -15.6 | -179.2 | 56.5 | -90.3 | 0 | 0 | 0 | 114.1 | K88 L135 A154 | K88-H156 HydrophobicContact CB-CB 4.47Å; K88-H156 HydrophobicContact CD-CB 4.17Å; K88-H156 WeakPolarHBondContact CE-O 3.41Å; K88-H156 HydrophobicContact CG-CB 3.94Å; K88-H156 PolarHBondContact NZ-O 3.01Å; L135-H156 PolarHBondContact O-CE1 3.04Å; L135-H156 PolarHBondContact O-ND1 2.84Å; L135-H156 VanDerWaalsContact O-ND1 3.1Å; A154-H156 PolarHBondContact O-N 2.49Å; A154-H156 VanDerWaalsContact O-N 3.08Å |
| 157 | D | 92.5 | Very high | 92.1 | Very high | 60 Ų | 60 | 53 Ų | 53 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -109.5 | 7 | -177 | -72.2 | -22.9 | 0 | 0 | 0 | 114.1 | K88 V153 A154 Y155 A159 A160 H161 | K88-D157 IonicContact NZ-OD1 2.94Å; K88-D157 PolarHBondContact NZ-OD1 2.86Å; V153-D157 HydrophobicContact CG1-CB 4.45Å; A154-D157 PolarHBondContact O-N 2.98Å; Y155-D157 PolarHBondContact O-N 2.99Å; D157-A159 VanDerWaalsContact C-N 3.26Å; D157-A159 PolarHBondContact O-N 2.78Å; D157-A160 WeakPolarHBondContact O-CA 3.33Å; D157-A160 WeakPolarHBondContact O-CB 3.34Å; D157-A160 PolarHBondContact O-N 3.3Å; D157-H161 PolarHBondContact O-N 3.05Å |
| 158 | V | 91.5 | Very high | 92.1 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 11% | 0.109 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.5 | -43.1 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | I140 P143 V153 A154 Y155 A160 H161 Q162 | I140-V158 HydrophobicContact CD1-CB 4.32Å; I140-V158 HydrophobicContact CD1-CG1 4.12Å; I140-V158 HydrophobicContact CD1-CG2 3.31Å; I140-V158 HydrophobicContact CG1-CG2 3.44Å; I140-V158 VanDerWaalsContact CG1-CG2 3.44Å; P143-V158 HydrophobicContact CG-CG1 3.79Å; V153-V158 HydrophobicContact CG1-CG2 4.48Å; A154-V158 PolarHBondContact O-N 3.47Å; Y155-V158 WeakPolarHBondContact O-CG2 3.19Å; V158-A160 VanDerWaalsContact C-N 3.35Å; V158-A160 PolarHBondContact O-N 3.25Å; V158-H161 PolarHBondContact O-N 2.91Å; V158-Q162 HydrophobicContact CG1-CG 4.31Å; V158-Q162 WeakPolarHBondContact O-CB 3.27Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.3Å; V158-Q162 PolarHBondContact O-N 2.73Å |
| 159 | A | 89.8 | Confident | 92.1 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D157 R163 | D157-A159 VanDerWaalsContact C-N 3.26Å; D157-A159 PolarHBondContact O-N 2.78Å; A159-R163 WeakPolarHBondContact O-CG 3.2Å; A159-R163 PolarHBondContact O-N 2.55Å; A159-R163 PolarHBondContact O-NE 3.11Å |
| 160 | A | 91.5 | Very high | 92 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.5 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D157 V158 Q162 R163 A164 | D157-A160 WeakPolarHBondContact O-CA 3.33Å; D157-A160 WeakPolarHBondContact O-CB 3.34Å; D157-A160 PolarHBondContact O-N 3.3Å; V158-A160 VanDerWaalsContact C-N 3.35Å; V158-A160 PolarHBondContact O-N 3.25Å; A160-Q162 PolarHBondContact O-N 3.11Å; A160-R163 PolarHBondContact O-N 3.31Å; A160-A164 PolarHBondContact O-N 3.27Å |
| 161 | H | 93.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 44 Ų | 44 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 174.5 | 179 | 86.2 | 0 | 0 | 0 | 112.1 | C142 S151 V153 D157 V158 R163 A164 C165 | C142-H161 PolarHBondContact SG-CD2 3.27Å; C142-H161 PolarHBondContact SG-NE2 3.39Å; S151-H161 PolarHBondContact OG-CE1 2.9Å; S151-H161 PolarHBondContact OG-NE2 3.46Å; V153-H161 HydrophobicContact CB-CB 4.39Å; V153-H161 HydrophobicContact CG1-CB 3.59Å; V153-H161 HydrophobicContact CG2-CB 3.93Å; V153-H161 VanDerWaalsContact CG2-CG 3.44Å; D157-H161 PolarHBondContact O-N 3.05Å; V158-H161 PolarHBondContact O-N 2.91Å; H161-R163 PolarHBondContact O-N 3.14Å; H161-A164 CarbonylContact O-C 3.59Å; H161-A164 WeakPolarHBondContact O-CA 3.3Å; H161-A164 PolarHBondContact O-N 2.83Å; H161-C165 WeakPolarHBondContact O-CA 3.45Å; H161-C165 VanDerWaalsContact O-CB 3.25Å; H161-C165 WeakPolarHBondContact O-CB 3.43Å; H161-C165 PolarHBondContact O-N 3.46Å |
| 162 | Q | 90.5 | Very high | 91.8 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 20% | 0.201 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.6 | -37.4 | 179.3 | -80 | 177.2 | -52 | 0 | 0 | 112.3 | G21 P143 V158 A160 A164 N254 | G21-Q162 PolarHBondContact O-NE2 2.85Å; P143-Q162 HydrophobicContact CG-CG 4.24Å; V158-Q162 HydrophobicContact CG1-CG 4.31Å; V158-Q162 WeakPolarHBondContact O-CB 3.27Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.3Å; V158-Q162 PolarHBondContact O-N 2.73Å; A160-Q162 PolarHBondContact O-N 3.11Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; Q162-N254 PolarHBondContact O-ND2 3.36Å |
| 163 | R | 88.9 | Confident | 91.4 | Very high | 164 Ų | 164 | 37.6 Ų | 37.6 | 62% | 0.619 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -73 | -21.6 | 175 | -70.3 | -176.9 | -65.4 | -173.8 | 4.7 | 113.8 | A159 A160 H161 N254 | A159-R163 WeakPolarHBondContact O-CG 3.2Å; A159-R163 PolarHBondContact O-N 2.55Å; A159-R163 PolarHBondContact O-NE 3.11Å; A160-R163 PolarHBondContact O-N 3.31Å; H161-R163 PolarHBondContact O-N 3.14Å; R163-N254 WeakPolarHBondContact O-CB 3.32Å; R163-N254 PolarHBondContact O-ND2 2.89Å |
| 164 | A | 90.3 | Very high | 91.1 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -107.2 | -1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A160 H161 Q162 P166 A257 | A160-A164 PolarHBondContact O-N 3.27Å; H161-A164 CarbonylContact O-C 3.59Å; H161-A164 WeakPolarHBondContact O-CA 3.3Å; H161-A164 PolarHBondContact O-N 2.83Å; Q162-A164 VanDerWaalsContact C-N 3.33Å; A164-P166 WeakPolarHBondContact O-CD 3.46Å; A164-A257 WeakPolarHBondContact O-CA 3.37Å; A164-A257 VanDerWaalsContact O-CB 3.32Å; A164-A257 WeakPolarHBondContact O-CB 3.48Å |
| 165 | C | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | trans | -72.1 | 122.1 | -170.1 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | N144 H161 H167 A168 | N144-C165 WeakPolarHBondContact ND2-CB 3.42Å; N144-C165 PolarHBondContact ND2-SG 2.82Å; H161-C165 WeakPolarHBondContact O-CA 3.45Å; H161-C165 VanDerWaalsContact O-CB 3.25Å; H161-C165 WeakPolarHBondContact O-CB 3.43Å; H161-C165 PolarHBondContact O-N 3.46Å; C165-H167 PolarHBondContact O-N 3.32Å; C165-A168 HydrophobicContact CB-CB 4.47Å; C165-A168 WeakPolarHBondContact O-CB 3.45Å; C165-A168 PolarHBondContact O-N 3.2Å | ||
| 166 | P | 89.9 | Confident | 90.6 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.7 | 179 | 27.8 | -33.8 | 0 | 0 | 0 | 113.1 | A164 P183 | A164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-P183 VanDerWaalsContact O-CD 3.23Å; P166-P183 WeakPolarHBondContact O-CD 3.39Å |
| 167 | H | 91.9 | Very high | 90.7 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8.6 | 176.4 | -57 | -89.2 | 0 | 0 | 0 | 113.3 | N144 F147 C149 C165 | N144-H167 HydrophobicContact CB-CB 4.39Å; F147-H167 HydrophobicContact CB-CB 4.45Å; F147-H167 WeakPolarHBondContact CB-O 3.18Å; F147-H167 PolarHBondContact O-ND1 2.93Å; C149-H167 HydrophobicContact CB-CB 3.85Å; C165-H167 PolarHBondContact O-N 3.32Å |
| 168 | A | 92.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | trans | -56.7 | 136.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | C165 A253 N254 | C165-A168 HydrophobicContact CB-CB 4.47Å; C165-A168 WeakPolarHBondContact O-CB 3.45Å; C165-A168 PolarHBondContact O-N 3.2Å; A168-A253 HydrophobicContact CB-CB 3.68Å; A168-N254 WeakPolarHBondContact CB-ND2 3.22Å | ||
| 169 | P | 92.4 | Very high | 90.9 | Very high | 40 Ų | 40 | 59 Ų | 59 | 26% | 0.26 | 32% | 0.316 | S | S | . | . | trans | -72.1 | 136.4 | -165.7 | 28.5 | -36 | 0 | 0 | 0 | 112.4 | F147 L180 G181 A253 | F147-P169 HydrophobicContact CD1-CB 4.41Å; F147-P169 HydrophobicContact CD2-CB 4.03Å; F147-P169 HydrophobicContact CD2-CG 4.17Å; F147-P169 HydrophobicContact CE1-CB 4.13Å; F147-P169 HydrophobicContact CE2-CB 3.74Å; F147-P169 HydrophobicContact CE2-CG 3.71Å; F147-P169 HydrophobicContact CG-CB 4.37Å; F147-P169 HydrophobicContact CZ-CB 3.79Å; F147-P169 HydrophobicContact CZ-CG 4.11Å; P169-L180 HydrophobicContact CB-CD1 3.84Å; P169-L180 HydrophobicContact CB-CD2 4.32Å; P169-L180 HydrophobicContact CB-CG 3.85Å; P169-G181 CarbonylContact C-O 3.6Å; P169-G181 WeakPolarHBondContact CA-O 3.36Å; P169-A253 VanDerWaalsContact O-CB 3.3Å; P169-A253 WeakPolarHBondContact O-CB 3.31Å | ||
| 170 | C | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 143.1 | 172.8 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | G181 L186 V251 A253 A288 | C170-G181 PolarHBondContact N-O 2.9Å; C170-G181 PolarHBondContact O-N 3.05Å; C170-G181 VanDerWaalsContact O-N 3.11Å; C170-L186 HydrophobicContact CB-CD2 3.52Å; C170-V251 HydrophobicContact CB-CG1 4.47Å; C170-A253 PolarHBondContact SG-N 3.31Å; C170-A288 WeakPolarHBondContact CA-O 3.4Å; C170-A288 WeakPolarHBondContact CB-O 3.43Å; C170-A288 PolarHBondContact SG-O 3.05Å |
| 171 | S | 91.8 | Very high | 91.2 | Very high | 52 Ų | 52 | 58.5 Ų | 58.5 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 146.2 | 176.1 | 59 | 0 | 0 | 0 | 0 | 111.3 | F179 A288 | S171-F179 WeakPolarHBondContact CA-O 3.49Å; S171-A288 PolarHBondContact N-O 2.78Å |
| 172 | C | 92.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | trans | -67.7 | 150.7 | 160.6 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | C177 F179 L186 H189 H194 | C172-C177 HydrophobicContact CB-CB 4.05Å; C172-F179 HydrophobicContact CB-CB 3.85Å; C172-F179 HydrophobicContact CB-CD1 4.41Å; C172-F179 PolarHBondContact N-O 2.9Å; C172-L186 HydrophobicContact CB-CD1 4.02Å; C172-H189 PolarHBondContact SG-NE2 2.72Å; C172-H189 VanDerWaalsContact SG-NE2 3.42Å; C172-H194 VanDerWaalsContact SG-CD2 3.57Å; C172-H194 PolarHBondContact SG-NE2 2.78Å | ||
| 173 | S | 86.4 | Confident | 91.3 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | trans | -119.5 | -3.7 | -174.4 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | A290 P291 G292 | S173-A290 WeakPolarHBondContact CB-O 3.24Å; S173-A290 PolarHBondContact OG-O 2.84Å; S173-P291 PolarHBondContact OG-O 2.86Å; S173-G292 CarbonylContact O-C 3.55Å; S173-G292 WeakPolarHBondContact O-CA 3.47Å; S173-G292 WeakPolarHBondContact OG-CA 2.9Å; S173-G292 PolarHBondContact OG-N 2.81Å | ||
| 174 | E | 87.4 | Confident | 91.5 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -61.3 | 135.2 | 172.6 | -72.1 | -68.2 | 176.1 | 0 | 0 | 109.6 | R176 C177 H194 W196 R217 | E174-R176 PolarHBondContact O-N 2.92Å; E174-R176 VanDerWaalsContact O-N 3.17Å; E174-C177 HydrophobicContact CB-CB 4.17Å; E174-C177 WeakPolarHBondContact O-CB 3.31Å; E174-C177 PolarHBondContact O-N 3.45Å; E174-H194 VanDerWaalsContact CB-CE1 3.48Å; E174-H194 WeakPolarHBondContact CB-CE1 3.31Å; E174-H194 HydrophobicContact CG-CB 4.32Å; E174-W196 HydrophobicContact CG-CZ2 4.13Å; E174-W196 VanDerWaalsContact OE1-CE2 3.3Å; E174-W196 VanDerWaalsContact OE1-CZ2 3.22Å; E174-W196 WeakPolarHBondContact OE1-CZ2 3.43Å; E174-W196 PolarHBondContact OE1-NE1 3.12Å; E174-R217 IonicContact OE1-CZ 3.74Å; E174-R217 IonicContact OE1-NE 2.92Å; E174-R217 IonicContact OE1-NH2 2.88Å; E174-R217 PolarHBondContact OE1-NH2 2.82Å; E174-R217 IonicContact OE2-NH2 2.68Å; E174-R217 PolarHBondContact OE2-NH2 3.31Å |
| 175 | P | 86.5 | Confident | 91.6 | Very high | 75 Ų | 75 | 52.3 Ų | 52.3 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 126.3 | 179.9 | -26.1 | 34.2 | 0 | 0 | 0 | 111.1 | C177 | P175-C177 VanDerWaalsContact C-N 3.35Š|
| 176 | R | 87.9 | Confident | 91.7 | Very high | 244 Ų | 244 | 52.2 Ų | 52.2 | 92% | 0.921 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 17.2 | -178.9 | -48.1 | 173.2 | -70.6 | -89.6 | -2.8 | 115.2 | E174 | E174-R176 PolarHBondContact O-N 2.92Å; E174-R176 VanDerWaalsContact O-N 3.17Å |
| 177 | C | 92.7 | Very high | 92 | Very high | 31 Ų | 31 | 51 Ų | 51 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | trans | -99 | 128.5 | 166.3 | -168 | 0 | 0 | 0 | 0 | 110.6 | C172 E174 P175 H189 H194 | C172-C177 HydrophobicContact CB-CB 4.05Å; E174-C177 HydrophobicContact CB-CB 4.17Å; E174-C177 WeakPolarHBondContact O-CB 3.31Å; E174-C177 PolarHBondContact O-N 3.45Å; P175-C177 VanDerWaalsContact C-N 3.35Å; C177-H189 PolarHBondContact SG-CE1 3.34Å; C177-H189 PolarHBondContact SG-NE2 3.26Å; C177-H194 PolarHBondContact SG-NE2 3.46Å | ||
| 178 | D | 93.5 | Very high | 92.1 | Very high | 161 Ų | 161 | 51.4 Ų | 51.4 | 86% | 0.861 | 28% | 0.281 | S | S | * | . | trans | -107.4 | 14.9 | 179.8 | 64.2 | -14.8 | 0 | 0 | 0 | 112.8 | L180 | D178-L180 PolarHBondContact O-N 2.79Š| ||
| 179 | F | 95.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 21% | 0.211 | 28% | 0.281 | C | S | . | . | trans | -60.4 | 136.2 | -179.3 | 178.1 | -85.4 | 0 | 0 | 0 | 111.9 | S171 C172 M185 L186 H189 | S171-F179 WeakPolarHBondContact CA-O 3.49Å; C172-F179 HydrophobicContact CB-CB 3.85Å; C172-F179 HydrophobicContact CB-CD1 4.41Å; C172-F179 PolarHBondContact N-O 2.9Å; F179-M185 HydrophobicContact CZ-CB 3.96Å; F179-M185 WeakPolarHBondContact CZ-O 3.35Å; F179-L186 HydrophobicContact CD1-CD1 3.74Å; F179-L186 HydrophobicContact CE1-CB 4Å; F179-L186 HydrophobicContact CE1-CD1 3.92Å; F179-H189 WeakPolarHBondContact CB-NE2 3.31Å; F179-H189 HydrophobicContact CD1-CB 4.05Å; F179-H189 AromaticContact CD1-CD2 3.6Å; F179-H189 AromaticContact CD1-CG 3.79Å; F179-H189 HydrophobicContact CD2-CB 3.83Å; F179-H189 AromaticContact CD2-CG 3.49Å; F179-H189 VanDerWaalsContact CD2-CG 3.49Å; F179-H189 AromaticContact CD2-ND1 3.59Å; F179-H189 HydrophobicContact CE1-CB 3.88Å; F179-H189 HydrophobicContact CE2-CB 3.62Å; F179-H189 AromaticContact CE2-CG 3.85Å; F179-H189 HydrophobicContact CG-CB 4.03Å; F179-H189 AromaticContact CG-CD2 3.46Å; F179-H189 VanDerWaalsContact CG-CD2 3.46Å; F179-H189 WeakPolarHBondContact CG-CD2 3.33Å; F179-H189 AromaticContact CG-CE1 3.96Å; F179-H189 AromaticContact CG-CG 3.45Å; F179-H189 VanDerWaalsContact CG-CG 3.45Å; F179-H189 AromaticContact CG-ND1 3.79Å; F179-H189 AromaticContact CG-NE2 3.78Å; F179-H189 HydrophobicContact CZ-CB 3.64Å | ||
| 180 | L | 94 | Very high | 92.5 | Very high | 87 Ų | 87 | 50 Ų | 50 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 126.3 | 175.9 | -172.3 | 73.3 | 0 | 0 | 0 | 109.7 | F147 P169 D178 | F147-L180 HydrophobicContact CZ-CD2 4.3Å; P169-L180 HydrophobicContact CB-CD1 3.84Å; P169-L180 HydrophobicContact CB-CD2 4.32Å; P169-L180 HydrophobicContact CB-CG 3.85Å; D178-L180 PolarHBondContact O-N 2.79Å |
| 181 | G | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P169 C170 | P169-G181 CarbonylContact C-O 3.6Å; P169-G181 WeakPolarHBondContact CA-O 3.36Å; C170-G181 PolarHBondContact N-O 2.9Å; C170-G181 PolarHBondContact O-N 3.05Å; C170-G181 VanDerWaalsContact O-N 3.11Å |
| 182 | S | 93 | Very high | 92.9 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -62 | 163.2 | 172.9 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | F147 P184 M185 L186 | F147-S182 WeakPolarHBondContact O-CB 3.34Å; F147-S182 PolarHBondContact O-OG 3.19Å; S182-P184 VanDerWaalsContact C-CD 3.5Å; S182-P184 VanDerWaalsContact C-N 3.32Å; S182-M185 CarbonylContact O-C 3.12Å; S182-M185 WeakPolarHBondContact O-CA 3.46Å; S182-M185 WeakPolarHBondContact O-CB 3.45Å; S182-M185 PolarHBondContact O-N 3.28Å; S182-M185 VanDerWaalsContact OG-CG 3.31Å; S182-M185 WeakPolarHBondContact OG-CG 3.44Å; S182-M185 PolarHBondContact OG-SD 3.13Å; S182-L186 PolarHBondContact O-N 3.21Å | ||
| 183 | P | 92.4 | Very high | 93 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 7% | 0.071 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51.6 | -41.1 | 179.5 | -25.3 | 32.8 | 0 | 0 | 0 | 114.8 | P166 M185 L186 L187 V251 | P166-P183 VanDerWaalsContact O-CD 3.23Å; P166-P183 WeakPolarHBondContact O-CD 3.39Å; P183-M185 PolarHBondContact O-N 3.38Å; P183-L186 PolarHBondContact O-N 3.33Å; P183-L187 PolarHBondContact O-N 3.39Å; P183-V251 HydrophobicContact CB-CG1 4.3Å; P183-V251 WeakPolarHBondContact CB-O 3.46Å |
| 184 | P | 92.2 | Very high | 93.4 | Very high | 75 Ų | 75 | 60 Ų | 60 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 173.2 | -23 | 35.4 | 0 | 0 | 0 | 113.8 | S182 L187 A188 | S182-P184 VanDerWaalsContact C-CD 3.5Å; S182-P184 VanDerWaalsContact C-N 3.32Å; P184-L187 WeakPolarHBondContact O-CB 3.43Å; P184-L187 PolarHBondContact O-N 3.28Å; P184-A188 PolarHBondContact O-N 2.89Å; P184-A188 VanDerWaalsContact O-N 3.14Å |
| 185 | M | 94.2 | Very high | 93.7 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -41 | 175.2 | -62.9 | 172 | 65.4 | 0 | 0 | 111 | F147 F179 S182 P183 L187 A188 H189 | F147-M185 HydrophobicContact CB-SD 4.48Å; F147-M185 HydrophobicContact CD1-SD 4.44Å; F179-M185 HydrophobicContact CZ-CB 3.96Å; F179-M185 WeakPolarHBondContact CZ-O 3.35Å; S182-M185 CarbonylContact O-C 3.12Å; S182-M185 WeakPolarHBondContact O-CA 3.46Å; S182-M185 WeakPolarHBondContact O-CB 3.45Å; S182-M185 PolarHBondContact O-N 3.28Å; S182-M185 VanDerWaalsContact OG-CG 3.31Å; S182-M185 WeakPolarHBondContact OG-CG 3.44Å; S182-M185 PolarHBondContact OG-SD 3.13Å; P183-M185 PolarHBondContact O-N 3.38Å; M185-L187 VanDerWaalsContact C-N 3.35Å; M185-A188 PolarHBondContact O-N 3.07Å; M185-H189 WeakPolarHBondContact O-CB 3.19Å; M185-H189 PolarHBondContact O-N 3.11Å |
| 186 | L | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.6 | -179.7 | 60.3 | 0 | 0 | 0 | 111.5 | C170 C172 F179 S182 P183 A188 H189 L190 V251 A290 | C170-L186 HydrophobicContact CB-CD2 3.52Å; C172-L186 HydrophobicContact CB-CD1 4.02Å; F179-L186 HydrophobicContact CD1-CD1 3.74Å; F179-L186 HydrophobicContact CE1-CB 4Å; F179-L186 HydrophobicContact CE1-CD1 3.92Å; S182-L186 PolarHBondContact O-N 3.21Å; P183-L186 PolarHBondContact O-N 3.33Å; L186-A188 PolarHBondContact O-N 2.87Å; L186-H189 PolarHBondContact O-N 3.44Å; L186-L190 HydrophobicContact CD1-CD1 4.08Å; L186-L190 HydrophobicContact CD1-CD2 4.36Å; L186-L190 HydrophobicContact CD1-CG 3.94Å; L186-L190 HydrophobicContact CG-CD1 3.87Å; L186-L190 HydrophobicContact CG-CG 4.23Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 VanDerWaalsContact O-CG 3.24Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L186-V251 HydrophobicContact CD2-CG1 3.74Å; L186-A290 HydrophobicContact CD2-CB 4.45Å |
| 187 | L | 94.5 | Very high | 94.3 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.4 | -51.8 | 172 | 173.7 | 73.6 | 0 | 0 | 0 | 111.4 | P183 P184 M185 H189 L190 V191 V198 L219 V221 V232 | P183-L187 PolarHBondContact O-N 3.39Å; P184-L187 WeakPolarHBondContact O-CB 3.43Å; P184-L187 PolarHBondContact O-N 3.28Å; M185-L187 VanDerWaalsContact C-N 3.35Å; L187-H189 VanDerWaalsContact C-N 3.3Å; L187-H189 PolarHBondContact O-N 3.17Å; L187-L190 PolarHBondContact O-N 2.8Å; L187-V191 WeakPolarHBondContact O-CG2 3.28Å; L187-V191 PolarHBondContact O-N 3.05Å; L187-V191 VanDerWaalsContact O-N 3.11Å; L187-V198 HydrophobicContact CD1-CG2 4.12Å; L187-L219 HydrophobicContact CD1-CB 4.12Å; L187-L219 HydrophobicContact CD1-CD1 3.99Å; L187-L219 HydrophobicContact CD1-CD2 4.29Å; L187-L219 HydrophobicContact CD1-CG 4.34Å; L187-V221 HydrophobicContact CD1-CG2 3.96Å; L187-V221 HydrophobicContact CD2-CG2 3.66Å; L187-V221 HydrophobicContact CG-CG2 4.49Å; L187-V232 HydrophobicContact CB-CG1 4.31Å; L187-V232 HydrophobicContact CB-CG2 3.97Å; L187-V232 HydrophobicContact CD1-CG1 4.01Å; L187-V232 HydrophobicContact CD1-CG2 4.44Å; L187-V232 HydrophobicContact CD2-CG2 4.07Å; L187-V232 HydrophobicContact CG-CG2 4.39Å |
| 188 | A | 95.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 51% | 0.512 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P184 M185 L186 A192 | P184-A188 PolarHBondContact O-N 2.89Å; P184-A188 VanDerWaalsContact O-N 3.14Å; M185-A188 PolarHBondContact O-N 3.07Å; L186-A188 PolarHBondContact O-N 2.87Å; A188-A192 VanDerWaalsContact O-CB 3.26Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 2.88Å |
| 189 | H | 96.7 | Very high | 94.5 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 175.9 | 168.1 | 65.4 | 0 | 0 | 0 | 112.9 | C172 C177 F179 M185 L186 L187 V191 A192 D193 H194 | C172-H189 PolarHBondContact SG-NE2 2.72Å; C172-H189 VanDerWaalsContact SG-NE2 3.42Å; C177-H189 PolarHBondContact SG-CE1 3.34Å; C177-H189 PolarHBondContact SG-NE2 3.26Å; F179-H189 WeakPolarHBondContact CB-NE2 3.31Å; F179-H189 HydrophobicContact CD1-CB 4.05Å; F179-H189 AromaticContact CD1-CD2 3.6Å; F179-H189 AromaticContact CD1-CG 3.79Å; F179-H189 HydrophobicContact CD2-CB 3.83Å; F179-H189 AromaticContact CD2-CG 3.49Å; F179-H189 VanDerWaalsContact CD2-CG 3.49Å; F179-H189 AromaticContact CD2-ND1 3.59Å; F179-H189 HydrophobicContact CE1-CB 3.88Å; F179-H189 HydrophobicContact CE2-CB 3.62Å; F179-H189 AromaticContact CE2-CG 3.85Å; F179-H189 HydrophobicContact CG-CB 4.03Å; F179-H189 AromaticContact CG-CD2 3.46Å; F179-H189 VanDerWaalsContact CG-CD2 3.46Å; F179-H189 WeakPolarHBondContact CG-CD2 3.33Å; F179-H189 AromaticContact CG-CE1 3.96Å; F179-H189 AromaticContact CG-CG 3.45Å; F179-H189 VanDerWaalsContact CG-CG 3.45Å; F179-H189 AromaticContact CG-ND1 3.79Å; F179-H189 AromaticContact CG-NE2 3.78Å; F179-H189 HydrophobicContact CZ-CB 3.64Å; M185-H189 WeakPolarHBondContact O-CB 3.19Å; M185-H189 PolarHBondContact O-N 3.11Å; L186-H189 PolarHBondContact O-N 3.44Å; L187-H189 VanDerWaalsContact C-N 3.3Å; L187-H189 PolarHBondContact O-N 3.17Å; H189-V191 VanDerWaalsContact C-N 3.26Å; H189-V191 PolarHBondContact O-N 3.12Å; H189-A192 PolarHBondContact O-N 3.32Å; H189-D193 IonicContact CE1-OD2 3.65Å; H189-D193 IonicContact CG-OD2 3.3Å; H189-D193 IonicContact ND1-OD2 3.6Å; H189-D193 PolarHBondContact ND1-OD2 2.83Å; H189-D193 WeakPolarHBondContact O-CB 3.09Å; H189-D193 PolarHBondContact O-N 3.18Å; H189-H194 AromaticContact CE1-CD2 3.9Å; H189-H194 AromaticContact CE1-NE2 3.65Å; H189-H194 AromaticContact NE2-CD2 3.37Å; H189-H194 PolarHBondContact NE2-CD2 3.45Å; H189-H194 AromaticContact NE2-NE2 3.21Å; H189-H194 PolarHBondContact NE2-NE2 2.8Å |
| 190 | L | 94.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -35.4 | -179.4 | -68.9 | 169.2 | 0 | 0 | 0 | 112.1 | L186 L187 H194 S195 W196 L219 A290 | L186-L190 HydrophobicContact CD1-CD1 4.08Å; L186-L190 HydrophobicContact CD1-CD2 4.36Å; L186-L190 HydrophobicContact CD1-CG 3.94Å; L186-L190 HydrophobicContact CG-CD1 3.87Å; L186-L190 HydrophobicContact CG-CG 4.23Å; L186-L190 WeakPolarHBondContact O-CB 3.45Å; L186-L190 VanDerWaalsContact O-CG 3.24Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L187-L190 PolarHBondContact O-N 2.8Å; L190-H194 CarbonylContact O-C 3.59Å; L190-H194 VanDerWaalsContact O-C 3.31Å; L190-H194 WeakPolarHBondContact O-CA 3.34Å; L190-H194 WeakPolarHBondContact O-CB 3.25Å; L190-H194 PolarHBondContact O-N 3.02Å; L190-S195 PolarHBondContact O-N 3.2Å; L190-S195 VanDerWaalsContact O-N 3.09Å; L190-W196 HydrophobicContact CB-CB 4.41Å; L190-W196 HydrophobicContact CB-CD2 4.29Å; L190-W196 HydrophobicContact CB-CE3 4.42Å; L190-W196 HydrophobicContact CB-CG 4.35Å; L190-W196 HydrophobicContact CD1-CE3 4.02Å; L190-W196 HydrophobicContact CD1-CH2 4.23Å; L190-W196 HydrophobicContact CD1-CZ3 3.85Å; L190-W196 HydrophobicContact CD2-CD2 4.11Å; L190-W196 HydrophobicContact CD2-CE3 4.29Å; L190-W196 HydrophobicContact CD2-CH2 3.88Å; L190-W196 HydrophobicContact CD2-CZ2 3.72Å; L190-W196 HydrophobicContact CD2-CZ3 4.21Å; L190-W196 HydrophobicContact CG-CE3 4.49Å; L190-W196 PolarHBondContact O-N 2.99Å; L190-L219 HydrophobicContact CB-CD1 3.79Å; L190-L219 HydrophobicContact CD1-CD1 4.37Å; L190-L219 HydrophobicContact CD1-CD2 3.87Å; L190-A290 HydrophobicContact CD1-CB 3.89Å |
| 191 | V | 95.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 35% | 0.352 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.5 | -47.8 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L187 H189 S195 V198 L219 | L187-V191 WeakPolarHBondContact O-CG2 3.28Å; L187-V191 PolarHBondContact O-N 3.05Å; L187-V191 VanDerWaalsContact O-N 3.11Å; H189-V191 VanDerWaalsContact C-N 3.26Å; H189-V191 PolarHBondContact O-N 3.12Å; V191-S195 VanDerWaalsContact O-CA 3.31Å; V191-S195 WeakPolarHBondContact O-CA 3.4Å; V191-S195 PolarHBondContact O-N 3.28Å; V191-V198 HydrophobicContact CG2-CB 4.14Å; V191-V198 HydrophobicContact CG2-CG1 4.02Å; V191-L219 HydrophobicContact CG2-CD1 3.94Å |
| 192 | A | 96.7 | Very high | 94.5 | Very high | 75 Ų | 75 | 50 Ų | 50 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -76 | -45.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A188 H189 | A188-A192 VanDerWaalsContact O-CB 3.26Å; A188-A192 WeakPolarHBondContact O-CB 3.28Å; A188-A192 PolarHBondContact O-N 2.88Å; H189-A192 PolarHBondContact O-N 3.32Å |
| 193 | D | 95.6 | Very high | 94.6 | Very high | 109 Ų | 109 | 52.4 Ų | 52.4 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -97.8 | -26 | -170.1 | -60.9 | -77.5 | 0 | 0 | 0 | 112.7 | H189 | H189-D193 IonicContact CE1-OD2 3.65Å; H189-D193 IonicContact CG-OD2 3.3Å; H189-D193 IonicContact ND1-OD2 3.6Å; H189-D193 PolarHBondContact ND1-OD2 2.83Å; H189-D193 WeakPolarHBondContact O-CB 3.09Å; H189-D193 PolarHBondContact O-N 3.18Å |
| 194 | H | 93.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -115.1 | -1.4 | -179.2 | -62.1 | -56.4 | 0 | 0 | 0 | 114 | C172 E174 C177 H189 L190 W196 | C172-H194 VanDerWaalsContact SG-CD2 3.57Å; C172-H194 PolarHBondContact SG-NE2 2.78Å; E174-H194 VanDerWaalsContact CB-CE1 3.48Å; E174-H194 WeakPolarHBondContact CB-CE1 3.31Å; E174-H194 HydrophobicContact CG-CB 4.32Å; C177-H194 PolarHBondContact SG-NE2 3.46Å; H189-H194 AromaticContact CE1-CD2 3.9Å; H189-H194 AromaticContact CE1-NE2 3.65Å; H189-H194 AromaticContact NE2-CD2 3.37Å; H189-H194 PolarHBondContact NE2-CD2 3.45Å; H189-H194 AromaticContact NE2-NE2 3.21Å; H189-H194 PolarHBondContact NE2-NE2 2.8Å; L190-H194 CarbonylContact O-C 3.59Å; L190-H194 VanDerWaalsContact O-C 3.31Å; L190-H194 WeakPolarHBondContact O-CA 3.34Å; L190-H194 WeakPolarHBondContact O-CB 3.25Å; L190-H194 PolarHBondContact O-N 3.02Å; H194-W196 HydrophobicContact CB-CG 4.5Å; H194-W196 PolarHBondContact O-N 2.86Å; H194-W196 VanDerWaalsContact O-N 3.12Å |
| 195 | S | 93.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 56.2 Ų | 56.2 | 69% | 0.692 | 33% | 0.332 | S | S | * | . | trans | 53.3 | 30.8 | 178 | -56.7 | 0 | 0 | 0 | 0 | 113.5 | L190 V191 | L190-S195 PolarHBondContact O-N 3.2Å; L190-S195 VanDerWaalsContact O-N 3.09Å; V191-S195 VanDerWaalsContact O-CA 3.31Å; V191-S195 WeakPolarHBondContact O-CA 3.4Å; V191-S195 PolarHBondContact O-N 3.28Å | ||
| 196 | W | 93.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | trans | -65.9 | 133.9 | 176.8 | -76 | 23.3 | 0 | 0 | 0 | 109.5 | E174 L190 H194 R217 L219 V234 A290 | E174-W196 HydrophobicContact CG-CZ2 4.13Å; E174-W196 VanDerWaalsContact OE1-CE2 3.3Å; E174-W196 VanDerWaalsContact OE1-CZ2 3.22Å; E174-W196 WeakPolarHBondContact OE1-CZ2 3.43Å; E174-W196 PolarHBondContact OE1-NE1 3.12Å; L190-W196 HydrophobicContact CB-CB 4.41Å; L190-W196 HydrophobicContact CB-CD2 4.29Å; L190-W196 HydrophobicContact CB-CE3 4.42Å; L190-W196 HydrophobicContact CB-CG 4.35Å; L190-W196 HydrophobicContact CD1-CE3 4.02Å; L190-W196 HydrophobicContact CD1-CH2 4.23Å; L190-W196 HydrophobicContact CD1-CZ3 3.85Å; L190-W196 HydrophobicContact CD2-CD2 4.11Å; L190-W196 HydrophobicContact CD2-CE3 4.29Å; L190-W196 HydrophobicContact CD2-CH2 3.88Å; L190-W196 HydrophobicContact CD2-CZ2 3.72Å; L190-W196 HydrophobicContact CD2-CZ3 4.21Å; L190-W196 HydrophobicContact CG-CE3 4.49Å; L190-W196 PolarHBondContact O-N 2.99Å; H194-W196 HydrophobicContact CB-CG 4.5Å; H194-W196 PolarHBondContact O-N 2.86Å; H194-W196 VanDerWaalsContact O-N 3.12Å; W196-R217 HydrophobicContact CD2-CB 4.11Å; W196-R217 HydrophobicContact CE3-CB 3.82Å; W196-R217 HydrophobicContact CH2-CB 4.2Å; W196-R217 HydrophobicContact CH2-CG 4.27Å; W196-R217 HydrophobicContact CZ2-CB 4.4Å; W196-R217 HydrophobicContact CZ3-CB 3.86Å; W196-R217 HydrophobicContact CZ3-CG 4.31Å; W196-L219 HydrophobicContact CB-CD1 3.58Å; W196-L219 HydrophobicContact CB-CG 4.22Å; W196-L219 HydrophobicContact CE3-CD1 4.09Å; W196-L219 HydrophobicContact CE3-CD2 3.91Å; W196-L219 HydrophobicContact CE3-CG 3.82Å; W196-L219 HydrophobicContact CG-CD1 4.45Å; W196-L219 HydrophobicContact CZ3-CD2 4.24Å; W196-V234 HydrophobicContact CZ3-CG1 3.98Å; W196-V234 HydrophobicContact CZ3-CG2 4.17Å; W196-A290 HydrophobicContact CH2-CB 3.71Å; W196-A290 HydrophobicContact CZ3-CB 3.87Å | ||
| 197 | P | 93.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 56.9 Ų | 56.9 | 29% | 0.292 | 34% | 0.339 | S | S | . | . | trans | -67.1 | 145.2 | 176.4 | 27.2 | -31.3 | 0 | 0 | 0 | 110 | E215 H218 L219 | P197-E215 VanDerWaalsContact CG-CD 3.41Å; P197-E215 HydrophobicContact CG-CG 4.29Å; P197-E215 WeakPolarHBondContact CG-OE1 3.45Å; P197-H218 HydrophobicContact CG-CB 4.46Å; P197-H218 WeakPolarHBondContact CG-ND1 3.29Å; P197-L219 WeakPolarHBondContact O-CB 3.39Å; P197-L219 PolarHBondContact O-N 2.86Å | ||
| 198 | V | 94.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 39% | 0.394 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.8 | -178 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | L187 V191 L219 V221 | L187-V198 HydrophobicContact CD1-CG2 4.12Å; V191-V198 HydrophobicContact CG2-CB 4.14Å; V191-V198 HydrophobicContact CG2-CG1 4.02Å; V198-L219 CarbonylContact C-O 3.53Å; V198-L219 VanDerWaalsContact CA-O 3.31Å; V198-L219 WeakPolarHBondContact CA-O 3.48Å; V198-L219 HydrophobicContact CB-CB 4.02Å; V198-L219 HydrophobicContact CG2-CB 3.96Å; V198-V221 HydrophobicContact CG2-CG2 4Å |
| 199 | S | 95.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 153.5 | 172.5 | -67 | 0 | 0 | 0 | 0 | 110.8 | L207 H218 L219 V220 V221 | S199-L207 VanDerWaalsContact CB-CD2 3.46Å; S199-H218 WeakPolarHBondContact CB-NE2 3.3Å; S199-H218 PolarHBondContact OG-NE2 3.33Å; S199-L219 PolarHBondContact N-O 3.38Å; S199-V220 CarbonylContact O-C 3.56Å; S199-V220 WeakPolarHBondContact O-CA 3.1Å; S199-V221 PolarHBondContact O-N 3.49Å |
| 200 | K | 95.1 | Very high | 94.4 | Very high | 139 Ų | 139 | 60.1 Ų | 60.1 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.8 | 175.7 | -60.1 | -164.6 | 174.5 | -164.9 | 0 | 110.5 | V221 | K200-V221 WeakPolarHBondContact CA-O 3.44Å; K200-V221 HydrophobicContact CG-CB 4.29Å |
| 201 | V | 95 | Very high | 94.1 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 132.3 | 177.6 | 65.8 | 0 | 0 | 0 | 0 | 111 | E205 L207 V220 V221 A222 G223 | V201-E205 HydrophobicContact CG2-CB 4Å; V201-L207 HydrophobicContact CB-CB 3.93Å; V201-L207 HydrophobicContact CB-CD2 4.29Å; V201-L207 HydrophobicContact CG2-CB 3.74Å; V201-V220 HydrophobicContact CG1-CG1 3.7Å; V201-V221 PolarHBondContact N-O 3.26Å; V201-A222 HydrophobicContact CG1-CB 3.99Å; V201-A222 WeakPolarHBondContact O-CA 3.28Å; V201-G223 PolarHBondContact O-N 3.17Å; V201-G223 VanDerWaalsContact O-N 3.09Å |
| 202 | P | 94.8 | Very high | 93.7 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | trans | -62.5 | 149.9 | 168.5 | -21.3 | 33.4 | 0 | 0 | 0 | 111.2 | G204 E205 | P202-G204 PolarHBondContact O-N 3.14Å; P202-E205 HydrophobicContact CB-CB 4.27Å; P202-E205 HydrophobicContact CB-CG 3.87Å; P202-E205 HydrophobicContact CG-CB 4.45Å; P202-E205 HydrophobicContact CG-CG 4.08Å; P202-E205 PolarHBondContact O-N 3.46Å | ||
| 203 | Y | 94.2 | Very high | 93 | Very high | 54 Ų | 54 | 58 Ų | 58 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 136 | 173.7 | -67.8 | -60.2 | 0 | 0 | 0 | 110.9 | E205 A222 G223 D229 R231 F233 Y261 I328 I330 | Y203-E205 VanDerWaalsContact C-N 3.25Å; Y203-E205 PolarHBondContact O-N 3.02Å; Y203-A222 HydrophobicContact CD1-CB 3.79Å; Y203-A222 HydrophobicContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CZ-O 3.32Å; Y203-A222 PolarHBondContact OH-O 3.1Å; Y203-A222 VanDerWaalsContact OH-O 3.12Å; Y203-G223 VanDerWaalsContact CE2-CA 3.47Å; Y203-D229 WeakPolarHBondContact CE2-O 3.49Å; Y203-D229 PolarHBondContact OH-O 3.08Å; Y203-R231 WeakPolarHBondContact OH-CB 3.15Å; Y203-R231 VanDerWaalsContact OH-CG 3.25Å; Y203-R231 WeakPolarHBondContact OH-CG 3.15Å; Y203-F233 HydrophobicContact CE1-CE2 4.28Å; Y203-F233 HydrophobicContact CE1-CZ 4.37Å; Y203-Y261 AromaticContact CE1-CD1 3.99Å; Y203-Y261 HydrophobicContact CE1-CD1 3.99Å; Y203-Y261 AromaticContact CE1-CE1 3.84Å; Y203-Y261 HydrophobicContact CE1-CE1 3.84Å; Y203-Y261 AromaticContact CZ-CE1 3.9Å; Y203-I328 CarbonylContact C-O 3.56Å; Y203-I328 VanDerWaalsContact CA-O 3.3Å; Y203-I328 WeakPolarHBondContact CA-O 3.38Å; Y203-I328 HydrophobicContact CD1-CG2 4.16Å; Y203-I328 HydrophobicContact CE1-CG2 4.17Å; Y203-I330 HydrophobicContact CD1-CG1 4.4Å; Y203-I330 HydrophobicContact CD2-CD1 4Å; Y203-I330 HydrophobicContact CD2-CG1 4.25Å; Y203-I330 HydrophobicContact CE2-CD1 4.09Å; Y203-I330 HydrophobicContact CE2-CG1 4.37Å; Y203-I330 HydrophobicContact CG-CD1 4.49Å; Y203-I330 HydrophobicContact CG-CG1 4.28Å |
| 204 | G | 93.2 | Very high | 92.2 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -15.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P202 S327 I328 | P202-G204 PolarHBondContact O-N 3.14Å; G204-S327 PolarHBondContact O-OG 3.34Å; G204-I328 PolarHBondContact N-O 2.78Å |
| 205 | E | 95.2 | Very high | 91.6 | Very high | 119 Ų | 119 | 56.3 Ų | 56.3 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | trans | -79.2 | 162.6 | 174.7 | -72 | -66.7 | 164 | 0 | 0 | 111.7 | V201 P202 Y203 S327 | V201-E205 HydrophobicContact CG2-CB 4Å; P202-E205 HydrophobicContact CB-CB 4.27Å; P202-E205 HydrophobicContact CB-CG 3.87Å; P202-E205 HydrophobicContact CG-CB 4.45Å; P202-E205 HydrophobicContact CG-CG 4.08Å; P202-E205 PolarHBondContact O-N 3.46Å; Y203-E205 VanDerWaalsContact C-N 3.25Å; Y203-E205 PolarHBondContact O-N 3.02Å; E205-S327 WeakPolarHBondContact O-CA 3.01Å; E205-S327 VanDerWaalsContact O-CB 3.3Å; E205-S327 WeakPolarHBondContact O-CB 3.17Å; E205-S327 PolarHBondContact O-OG 2.9Å | ||
| 206 | V | 95.7 | Very high | 91.2 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.5 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | R325 | V206-R325 HydrophobicContact CG1-CB 3.86Å; V206-R325 HydrophobicContact CG1-CG 4.46Å |
| 207 | L | 95.2 | Very high | 91 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 137.8 | 170.2 | 176.8 | 65.5 | 0 | 0 | 0 | 109.9 | S199 V201 I209 V220 R325 L326 | S199-L207 VanDerWaalsContact CB-CD2 3.46Å; V201-L207 HydrophobicContact CB-CB 3.93Å; V201-L207 HydrophobicContact CB-CD2 4.29Å; V201-L207 HydrophobicContact CG2-CB 3.74Å; L207-I209 HydrophobicContact CD2-CD1 3.7Å; L207-I209 HydrophobicContact CD2-CG1 3.75Å; L207-I209 HydrophobicContact CG-CD1 4.22Å; L207-I209 HydrophobicContact CG-CG1 3.74Å; L207-V220 HydrophobicContact CD2-CG1 4.18Å; L207-V220 HydrophobicContact CD2-CG2 4.43Å; L207-R325 CarbonylContact O-C 3.44Å; L207-R325 VanDerWaalsContact O-CA 3.28Å; L207-R325 WeakPolarHBondContact O-CA 2.78Å; L207-L326 PolarHBondContact N-O 3.02Å; L207-L326 PolarHBondContact O-N 3.32Å |
| 208 | T | 94.3 | Very high | 91 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.4 | 172.6 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | L323 R325 | T208-L323 HydrophobicContact CG2-CD1 3.36Å; T208-L323 HydrophobicContact CG2-CG 4.15Å; T208-R325 HydrophobicContact CG2-CG 4.27Å |
| 209 | I | 92.2 | Very high | 91 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.2 | -176 | -47.1 | 174.6 | 0 | 0 | 0 | 108 | L207 V211 V220 L235 I324 L326 | L207-I209 HydrophobicContact CD2-CD1 3.7Å; L207-I209 HydrophobicContact CD2-CG1 3.75Å; L207-I209 HydrophobicContact CG-CD1 4.22Å; L207-I209 HydrophobicContact CG-CG1 3.74Å; I209-V211 HydrophobicContact CB-CG2 4.13Å; I209-V211 HydrophobicContact CG2-CG2 3.6Å; I209-V220 HydrophobicContact CD1-CG2 4.1Å; I209-L235 HydrophobicContact CD1-CD1 4.21Å; I209-I324 PolarHBondContact N-O 3.24Å; I209-I324 PolarHBondContact O-N 3.41Å; I209-L326 HydrophobicContact CD1-CD2 4.31Å |
| 210 | H | 90.4 | Very high | 91 | Very high | 103 Ų | 103 | 50.5 Ų | 50.5 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.9 | 166.3 | -70.4 | -111.8 | 0 | 0 | 0 | 107 | P212 E321 L323 | H210-P212 WeakPolarHBondContact O-CD 3.11Å; H210-E321 IonicContact CE1-OE1 3.5Å; H210-E321 IonicContact CG-OE1 3.68Å; H210-E321 IonicContact ND1-OE1 2.74Å; H210-E321 PolarHBondContact ND1-OE1 3.44Å; H210-E321 IonicContact ND1-OE2 2.82Å; H210-L323 WeakPolarHBondContact NE2-CD1 2.96Å |
| 211 | V | 89.3 | Confident | 91.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 108.5 | -177.4 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | I209 E215 L235 V237 E321 M322 I324 | I209-V211 HydrophobicContact CB-CG2 4.13Å; I209-V211 HydrophobicContact CG2-CG2 3.6Å; V211-E215 HydrophobicContact CG1-CB 4Å; V211-E215 HydrophobicContact CG1-CG 4.23Å; V211-L235 HydrophobicContact CG2-CD2 4.25Å; V211-V237 HydrophobicContact CG1-CG2 3.84Å; V211-E321 CarbonylContact O-C 3.46Å; V211-E321 WeakPolarHBondContact O-CA 3.42Å; V211-M322 HydrophobicContact CB-CG 3.82Å; V211-M322 PolarHBondContact N-O 2.84Å; V211-M322 WeakPolarHBondContact O-CG 3.34Å; V211-M322 PolarHBondContact O-N 3.1Å; V211-I324 HydrophobicContact CG2-CB 4.43Å; V211-I324 HydrophobicContact CG2-CG1 4.09Å |
| 212 | P | 87.2 | Confident | 91.1 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 147 | 172.6 | -24.4 | 33.2 | 0 | 0 | 0 | 111.3 | H210 S214 E215 | H210-P212 WeakPolarHBondContact O-CD 3.11Å; P212-S214 PolarHBondContact O-N 3.25Å; P212-S214 VanDerWaalsContact O-N 3.13Å; P212-E215 HydrophobicContact CB-CB 4.11Å; P212-E215 WeakPolarHBondContact CD-OE2 3.2Å; P212-E215 HydrophobicContact CG-CB 4.21Å; P212-E215 WeakPolarHBondContact O-CB 3.38Å; P212-E215 PolarHBondContact O-N 2.84Å |
| 213 | E | 81.1 | Confident | 90.9 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.1 | 176 | -178.1 | 175.4 | -163.7 | 0 | 0 | 112.2 | R216 R244 K320 | E213-R216 PolarHBondContact O-NH1 3.21Å; E213-R244 IonicContact OE1-NH1 3.83Å; E213-K320 HydrophobicContact CB-CB 4.23Å; E213-K320 WeakPolarHBondContact CB-O 3.34Å; E213-K320 PolarHBondContact N-O 3.03Å |
| 214 | S | 79.4 | Confident | 90.5 | Very high | 93 Ų | 93 | 41.4 Ų | 41.4 | 65% | 0.65 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.6 | 172.7 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | P212 R216 | P212-S214 PolarHBondContact O-N 3.25Å; P212-S214 VanDerWaalsContact O-N 3.13Å; S214-R216 PolarHBondContact O-N 2.91Å |
| 215 | E | 81.2 | Confident | 89.8 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | trans | -76.7 | 117.6 | 179.9 | -172.5 | 170.2 | 130.8 | 0 | 0 | 109.4 | P197 V211 P212 H218 | P197-E215 VanDerWaalsContact CG-CD 3.41Å; P197-E215 HydrophobicContact CG-CG 4.29Å; P197-E215 WeakPolarHBondContact CG-OE1 3.45Å; V211-E215 HydrophobicContact CG1-CB 4Å; V211-E215 HydrophobicContact CG1-CG 4.23Å; P212-E215 HydrophobicContact CB-CB 4.11Å; P212-E215 WeakPolarHBondContact CD-OE2 3.2Å; P212-E215 HydrophobicContact CG-CB 4.21Å; P212-E215 WeakPolarHBondContact O-CB 3.38Å; P212-E215 PolarHBondContact O-N 2.84Å; E215-H218 WeakPolarHBondContact OE1-CB 3.21Å; E215-H218 IonicContact OE1-CE1 3.75Å; E215-H218 IonicContact OE1-CG 3.54Å; E215-H218 IonicContact OE1-ND1 3.71Å; E215-H218 PolarHBondContact OE1-ND1 2.78Å | ||
| 216 | R | 84.4 | Confident | 88.8 | Confident | 102 Ų | 102 | 41.1 Ų | 41.1 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | trans | -90.4 | -26.2 | -180 | -66 | -70.2 | 178.1 | -110.3 | -4.7 | 112 | E213 S214 S236 V237 | E213-R216 PolarHBondContact O-NH1 3.21Å; S214-R216 PolarHBondContact O-N 2.91Å; R216-S236 CarbonylContact O-C 3.56Å; R216-S236 WeakPolarHBondContact O-CA 3.23Å; R216-V237 VanDerWaalsContact CD-O 3.31Å; R216-V237 WeakPolarHBondContact CD-O 3.32Å; R216-V237 PolarHBondContact O-N 3.18Å | ||
| 217 | R | 90 | Very high | 87.9 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 138.1 | -169 | -66.6 | -172.8 | -77.3 | -98.6 | 1.8 | 111.8 | E174 W196 V234 L235 P291 G293 | E174-R217 IonicContact OE1-CZ 3.74Å; E174-R217 IonicContact OE1-NE 2.92Å; E174-R217 IonicContact OE1-NH2 2.88Å; E174-R217 PolarHBondContact OE1-NH2 2.82Å; E174-R217 IonicContact OE2-NH2 2.68Å; E174-R217 PolarHBondContact OE2-NH2 3.31Å; W196-R217 HydrophobicContact CD2-CB 4.11Å; W196-R217 HydrophobicContact CE3-CB 3.82Å; W196-R217 HydrophobicContact CH2-CB 4.2Å; W196-R217 HydrophobicContact CH2-CG 4.27Å; W196-R217 HydrophobicContact CZ2-CB 4.4Å; W196-R217 HydrophobicContact CZ3-CB 3.86Å; W196-R217 HydrophobicContact CZ3-CG 4.31Å; R217-V234 HydrophobicContact CB-CG1 4.32Å; R217-V234 HydrophobicContact CG-CG1 4.32Å; R217-L235 CarbonylContact C-O 3.5Å; R217-L235 VanDerWaalsContact CA-O 3.31Å; R217-L235 WeakPolarHBondContact CA-O 3.45Å; R217-P291 WeakPolarHBondContact CD-O 3.46Å; R217-P291 VanDerWaalsContact CZ-O 3.25Å; R217-P291 PolarHBondContact NE-O 3.27Å; R217-P291 VanDerWaalsContact NE-O 3.11Å; R217-P291 PolarHBondContact NH1-O 3.34Å; R217-P291 VanDerWaalsContact NH1-O 3.17Å; R217-G293 PolarHBondContact NH1-O 3.5Å |
| 218 | H | 93.2 | Very high | 87.2 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.8 | 176.7 | -162.9 | 101.2 | 0 | 0 | 0 | 109.6 | P197 S199 E215 L235 | P197-H218 HydrophobicContact CG-CB 4.46Å; P197-H218 WeakPolarHBondContact CG-ND1 3.29Å; S199-H218 WeakPolarHBondContact CB-NE2 3.3Å; S199-H218 PolarHBondContact OG-NE2 3.33Å; E215-H218 WeakPolarHBondContact OE1-CB 3.21Å; E215-H218 IonicContact OE1-CE1 3.75Å; E215-H218 IonicContact OE1-CG 3.54Å; E215-H218 IonicContact OE1-ND1 3.71Å; E215-H218 PolarHBondContact OE1-ND1 2.78Å; H218-L235 HydrophobicContact CB-CB 4.29Å; H218-L235 HydrophobicContact CB-CD2 4.41Å; H218-L235 PolarHBondContact N-O 2.76Å; H218-L235 PolarHBondContact O-N 3.49Å |
| 219 | L | 95 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134 | 177.5 | -66.8 | 157.8 | 0 | 0 | 0 | 109.8 | L187 L190 V191 W196 P197 V198 S199 V232 V234 | L187-L219 HydrophobicContact CD1-CB 4.12Å; L187-L219 HydrophobicContact CD1-CD1 3.99Å; L187-L219 HydrophobicContact CD1-CD2 4.29Å; L187-L219 HydrophobicContact CD1-CG 4.34Å; L190-L219 HydrophobicContact CB-CD1 3.79Å; L190-L219 HydrophobicContact CD1-CD1 4.37Å; L190-L219 HydrophobicContact CD1-CD2 3.87Å; V191-L219 HydrophobicContact CG2-CD1 3.94Å; W196-L219 HydrophobicContact CB-CD1 3.58Å; W196-L219 HydrophobicContact CB-CG 4.22Å; W196-L219 HydrophobicContact CE3-CD1 4.09Å; W196-L219 HydrophobicContact CE3-CD2 3.91Å; W196-L219 HydrophobicContact CE3-CG 3.82Å; W196-L219 HydrophobicContact CG-CD1 4.45Å; W196-L219 HydrophobicContact CZ3-CD2 4.24Å; P197-L219 WeakPolarHBondContact O-CB 3.39Å; P197-L219 PolarHBondContact O-N 2.86Å; V198-L219 CarbonylContact C-O 3.53Å; V198-L219 VanDerWaalsContact CA-O 3.31Å; V198-L219 WeakPolarHBondContact CA-O 3.48Å; V198-L219 HydrophobicContact CB-CB 4.02Å; V198-L219 HydrophobicContact CG2-CB 3.96Å; S199-L219 PolarHBondContact N-O 3.38Å; L219-V232 HydrophobicContact CD2-CG1 4.15Å; L219-V234 HydrophobicContact CD2-CG2 3.88Å |
| 220 | V | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.5 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 108 | S199 V201 L207 I209 F233 L326 I328 | S199-V220 CarbonylContact O-C 3.56Å; S199-V220 WeakPolarHBondContact O-CA 3.1Å; V201-V220 HydrophobicContact CG1-CG1 3.7Å; L207-V220 HydrophobicContact CD2-CG1 4.18Å; L207-V220 HydrophobicContact CD2-CG2 4.43Å; I209-V220 HydrophobicContact CD1-CG2 4.1Å; V220-F233 HydrophobicContact CB-CB 4.26Å; V220-F233 PolarHBondContact N-O 2.95Å; V220-F233 WeakPolarHBondContact O-CB 3.35Å; V220-F233 PolarHBondContact O-N 3.48Å; V220-L326 HydrophobicContact CB-CD2 4.29Å; V220-L326 HydrophobicContact CG1-CD2 4.04Å; V220-L326 HydrophobicContact CG2-CD2 3.75Å; V220-I328 HydrophobicContact CG1-CD1 4.05Å |
| 221 | V | 95.9 | Very high | 86.7 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 112.6 | 171.9 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | L187 V198 S199 K200 V201 E230 R231 | L187-V221 HydrophobicContact CD1-CG2 3.96Å; L187-V221 HydrophobicContact CD2-CG2 3.66Å; L187-V221 HydrophobicContact CG-CG2 4.49Å; V198-V221 HydrophobicContact CG2-CG2 4Å; S199-V221 PolarHBondContact O-N 3.49Å; K200-V221 WeakPolarHBondContact CA-O 3.44Å; K200-V221 HydrophobicContact CG-CB 4.29Å; V201-V221 PolarHBondContact N-O 3.26Å; V221-E230 HydrophobicContact CG1-CB 4.19Å; V221-E230 HydrophobicContact CG1-CG 4.29Å; V221-R231 WeakPolarHBondContact CA-O 3.25Å |
| 222 | A | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V201 Y203 E230 R231 F233 I328 | V201-A222 HydrophobicContact CG1-CB 3.99Å; V201-A222 WeakPolarHBondContact O-CA 3.28Å; Y203-A222 HydrophobicContact CD1-CB 3.79Å; Y203-A222 HydrophobicContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CE1-CB 3.48Å; Y203-A222 VanDerWaalsContact CZ-O 3.32Å; Y203-A222 PolarHBondContact OH-O 3.1Å; Y203-A222 VanDerWaalsContact OH-O 3.12Å; A222-E230 WeakPolarHBondContact O-CA 3.49Å; A222-R231 PolarHBondContact N-O 3.2Å; A222-R231 PolarHBondContact O-N 3.38Å; A222-F233 HydrophobicContact CB-CD2 3.93Å; A222-F233 HydrophobicContact CB-CE2 3.62Å; A222-I328 HydrophobicContact CB-CB 4.29Å; A222-I328 HydrophobicContact CB-CD1 4.24Å; A222-I328 HydrophobicContact CB-CG2 4.33Å |
| 223 | G | 92 | Very high | 87.2 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 142.6 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V201 Y203 | V201-G223 PolarHBondContact O-N 3.17Å; V201-G223 VanDerWaalsContact O-N 3.09Å; Y203-G223 VanDerWaalsContact CE2-CA 3.47Å |
| 224 | A | 85.1 | Confident | 87.8 | Confident | 69 Ų | 69 | 44 Ų | 44 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -69.3 | 130.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | G226 G227 E230 | A224-G226 PolarHBondContact O-N 3.32Å; A224-G226 VanDerWaalsContact O-N 3.08Å; A224-G227 PolarHBondContact O-N 3.36Å; A224-E230 WeakPolarHBondContact O-CG 3.45Å |
| 225 | A | 78.4 | Confident | 88.5 | Confident | 92 Ų | 92 | 39.6 Ų | 39.6 | 76% | 0.76 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 117.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.5 | G227 E230 | A225-G227 VanDerWaalsContact C-N 3.3Å; A225-G227 PolarHBondContact O-N 3.27Å; A225-E230 VanDerWaalsContact CA-OE1 3.31Å; A225-E230 WeakPolarHBondContact CA-OE1 3.47Å |
| 226 | G | 74.2 | Confident | 89 | Confident | 68 Ų | 68 | 37.9 Ų | 37.9 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 12.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | A224 E230 | A224-G226 PolarHBondContact O-N 3.32Å; A224-G226 VanDerWaalsContact O-N 3.08Å; G226-E230 PolarHBondContact N-OE1 3.3Å |
| 227 | G | 77.5 | Confident | 89.3 | Confident | 30 Ų | 30 | 33 Ų | 33 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | trans | -84.1 | 155.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A224 A225 D229 E230 | A224-G227 PolarHBondContact O-N 3.36Å; A225-G227 VanDerWaalsContact C-N 3.3Å; A225-G227 PolarHBondContact O-N 3.27Å; G227-D229 PolarHBondContact O-N 2.9Å; G227-E230 PolarHBondContact O-N 2.86Å; G227-E230 VanDerWaalsContact O-N 3.12Å | ||
| 228 | D | 78.9 | Confident | 89.2 | Confident | 160 Ų | 160 | 32.2 Ų | 32.2 | 86% | 0.856 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.4 | 177 | -70.5 | -21.9 | 0 | 0 | 0 | 113.5 | R231 | D228-R231 PolarHBondContact O-NH1 2.88Š|
| 229 | D | 84.3 | Confident | 89 | Confident | 105 Ų | 105 | 34.5 Ų | 34.5 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 1.5 | 178 | -65.7 | -32.4 | 0 | 0 | 0 | 114.1 | Y203 G227 R231 | Y203-D229 WeakPolarHBondContact CE2-O 3.49Å; Y203-D229 PolarHBondContact OH-O 3.08Å; G227-D229 PolarHBondContact O-N 2.9Å; D229-R231 PolarHBondContact O-N 2.84Å |
| 230 | E | 89.7 | Confident | 88.6 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 27% | 0.271 | 25% | 0.25 | S | S | . | . | trans | -60.4 | 132.1 | 172.7 | -76.1 | -170.3 | 154.7 | 0 | 0 | 110.5 | V221 A222 A224 A225 G226 G227 | V221-E230 HydrophobicContact CG1-CB 4.19Å; V221-E230 HydrophobicContact CG1-CG 4.29Å; A222-E230 WeakPolarHBondContact O-CA 3.49Å; A224-E230 WeakPolarHBondContact O-CG 3.45Å; A225-E230 VanDerWaalsContact CA-OE1 3.31Å; A225-E230 WeakPolarHBondContact CA-OE1 3.47Å; G226-E230 PolarHBondContact N-OE1 3.3Å; G227-E230 PolarHBondContact O-N 2.86Å; G227-E230 VanDerWaalsContact O-N 3.12Å | ||
| 231 | R | 92.6 | Very high | 88.3 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 21% | 0.208 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.9 | 177.3 | -61.3 | -72.7 | -178.2 | -81.4 | -5.5 | 110.6 | Y203 V221 A222 D228 D229 F233 Y261 | Y203-R231 WeakPolarHBondContact OH-CB 3.15Å; Y203-R231 VanDerWaalsContact OH-CG 3.25Å; Y203-R231 WeakPolarHBondContact OH-CG 3.15Å; V221-R231 WeakPolarHBondContact CA-O 3.25Å; A222-R231 PolarHBondContact N-O 3.2Å; A222-R231 PolarHBondContact O-N 3.38Å; D228-R231 PolarHBondContact O-NH1 2.88Å; D229-R231 PolarHBondContact O-N 2.84Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 4.07Å; R231-F233 WeakPolarHBondContact O-CD2 3.22Å; R231-Y261 WeakPolarHBondContact CG-OH 3.11Å |
| 232 | V | 93.7 | Very high | 87.9 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.8 | -176.9 | -176 | 0 | 0 | 0 | 0 | 108.9 | L187 L219 V251 | L187-V232 HydrophobicContact CB-CG1 4.31Å; L187-V232 HydrophobicContact CB-CG2 3.97Å; L187-V232 HydrophobicContact CD1-CG1 4.01Å; L187-V232 HydrophobicContact CD1-CG2 4.44Å; L187-V232 HydrophobicContact CD2-CG2 4.07Å; L187-V232 HydrophobicContact CG-CG2 4.39Å; L219-V232 HydrophobicContact CD2-CG1 4.15Å; V232-V251 HydrophobicContact CB-CB 4.11Å; V232-V251 HydrophobicContact CB-CG2 4.38Å; V232-V251 HydrophobicContact CG1-CB 4.12Å; V232-V251 HydrophobicContact CG1-CG2 3.9Å; V232-V251 PolarHBondContact O-N 3.46Å |
| 233 | F | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 153.1 | 175.6 | -58.8 | -97.6 | 0 | 0 | 0 | 109.3 | Y203 V220 A222 R231 V248 A249 C250 Y261 V284 I328 | Y203-F233 HydrophobicContact CE1-CE2 4.28Å; Y203-F233 HydrophobicContact CE1-CZ 4.37Å; V220-F233 HydrophobicContact CB-CB 4.26Å; V220-F233 PolarHBondContact N-O 2.95Å; V220-F233 WeakPolarHBondContact O-CB 3.35Å; V220-F233 PolarHBondContact O-N 3.48Å; A222-F233 HydrophobicContact CB-CD2 3.93Å; A222-F233 HydrophobicContact CB-CE2 3.62Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 4.07Å; R231-F233 WeakPolarHBondContact O-CD2 3.22Å; F233-V248 HydrophobicContact CB-CG1 4.21Å; F233-V248 HydrophobicContact CD1-CG1 4.26Å; F233-A249 CarbonylContact C-O 3.5Å; F233-A249 WeakPolarHBondContact CA-O 3.3Å; F233-C250 HydrophobicContact CD1-CB 3.86Å; F233-C250 HydrophobicContact CE1-CB 3.71Å; F233-Y261 HydrophobicContact CE1-CD1 4.34Å; F233-Y261 AromaticContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CE2 4.47Å; F233-Y261 AromaticContact CE1-CG 3.82Å; F233-Y261 HydrophobicContact CE1-CG 3.82Å; F233-Y261 AromaticContact CZ-CD1 3.77Å; F233-Y261 HydrophobicContact CZ-CD1 3.77Å; F233-Y261 AromaticContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CE1 4.03Å; F233-Y261 HydrophobicContact CZ-CE2 4.17Å; F233-Y261 AromaticContact CZ-CG 3.72Å; F233-Y261 HydrophobicContact CZ-CG 3.72Å; F233-V284 HydrophobicContact CD1-CG1 3.98Å; F233-V284 HydrophobicContact CE1-CG1 4.04Å; F233-I328 HydrophobicContact CB-CD1 4Å; F233-I328 HydrophobicContact CD1-CD1 3.93Å; F233-I328 HydrophobicContact CD2-CD1 3.75Å; F233-I328 HydrophobicContact CE1-CD1 4.35Å; F233-I328 HydrophobicContact CE1-CG2 3.92Å; F233-I328 HydrophobicContact CE2-CD1 4.22Å; F233-I328 HydrophobicContact CE2-CG2 4.12Å; F233-I328 HydrophobicContact CG-CD1 3.61Å; F233-I328 HydrophobicContact CZ-CD1 4.5Å; F233-I328 HydrophobicContact CZ-CG2 3.71Å |
| 234 | V | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.2 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | W196 R217 L219 V248 A249 V251 A290 | W196-V234 HydrophobicContact CZ3-CG1 3.98Å; W196-V234 HydrophobicContact CZ3-CG2 4.17Å; R217-V234 HydrophobicContact CB-CG1 4.32Å; R217-V234 HydrophobicContact CG-CG1 4.32Å; L219-V234 HydrophobicContact CD2-CG2 3.88Å; V234-V248 WeakPolarHBondContact O-CA 3.25Å; V234-A249 PolarHBondContact N-O 3.35Å; V234-A249 PolarHBondContact O-N 2.84Å; V234-V251 HydrophobicContact CG2-CG2 3.47Å; V234-V251 VanDerWaalsContact CG2-CG2 3.47Å; V234-A290 HydrophobicContact CG2-CB 3.94Å |
| 235 | L | 93.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.8 | 162.8 | -178.8 | 151.7 | 0 | 0 | 0 | 107.7 | I209 V211 R217 H218 V237 V246 S247 V248 L265 I324 L326 | I209-L235 HydrophobicContact CD1-CD1 4.21Å; V211-L235 HydrophobicContact CG2-CD2 4.25Å; R217-L235 CarbonylContact C-O 3.5Å; R217-L235 VanDerWaalsContact CA-O 3.31Å; R217-L235 WeakPolarHBondContact CA-O 3.45Å; H218-L235 HydrophobicContact CB-CB 4.29Å; H218-L235 HydrophobicContact CB-CD2 4.41Å; H218-L235 PolarHBondContact N-O 2.76Å; H218-L235 PolarHBondContact O-N 3.49Å; L235-V237 HydrophobicContact CD2-CG2 3.76Å; L235-V246 HydrophobicContact CD1-CG1 4.07Å; L235-V246 HydrophobicContact CD2-CG1 3.95Å; L235-V246 HydrophobicContact CG-CG1 3.86Å; L235-S247 CarbonylContact C-O 3.53Å; L235-S247 WeakPolarHBondContact CA-O 3.47Å; L235-V248 HydrophobicContact CB-CG2 4.32Å; L235-V248 HydrophobicContact CD1-CG2 4.5Å; L235-V248 HydrophobicContact CG-CG2 4.43Å; L235-L265 HydrophobicContact CD1-CD2 4.19Å; L235-I324 HydrophobicContact CD1-CG2 3.96Å; L235-L326 HydrophobicContact CD1-CD2 4.41Å |
| 236 | S | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.2 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | R216 V246 S247 | R216-S236 CarbonylContact O-C 3.56Å; R216-S236 WeakPolarHBondContact O-CA 3.23Å; S236-V246 WeakPolarHBondContact O-CA 3.22Å; S236-S247 PolarHBondContact N-O 3.1Å; S236-S247 PolarHBondContact O-N 3.32Å |
| 237 | V | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113 | 176.1 | -175 | 0 | 0 | 0 | 0 | 109.4 | V211 R216 L235 R244 A245 V246 M322 | V211-V237 HydrophobicContact CG1-CG2 3.84Å; R216-V237 VanDerWaalsContact CD-O 3.31Å; R216-V237 WeakPolarHBondContact CD-O 3.32Å; R216-V237 PolarHBondContact O-N 3.18Å; L235-V237 HydrophobicContact CD2-CG2 3.76Å; V237-R244 HydrophobicContact CG1-CB 4.23Å; V237-A245 CarbonylContact C-O 3.31Å; V237-A245 WeakPolarHBondContact CA-O 3.39Å; V237-V246 HydrophobicContact CG2-CG2 4.23Å; V237-M322 HydrophobicContact CG1-CE 3.72Å; V237-M322 HydrophobicContact CG1-SD 4.25Å; V237-M322 HydrophobicContact CG2-SD 4.42Å |
| 238 | G | 88.4 | Confident | 90.2 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 163.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R244 A245 | G238-R244 WeakPolarHBondContact O-CA 3.42Å; G238-A245 PolarHBondContact N-O 3.14Å; G238-A245 PolarHBondContact O-N 2.94Å |
| 239 | A | 87.6 | Confident | 90.8 | Very high | 60 Ų | 60 | 30.5 Ų | 30.5 | 50% | 0.496 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 240 | L | 87.5 | Confident | 91.2 | Very high | 62 Ų | 62 | 25.6 Ų | 25.6 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 86.3 | 174.3 | -179.1 | 64.5 | 0 | 0 | 0 | 109.4 | V242 A243 A245 V297 F303 T305 | L240-V242 PolarHBondContact O-N 3.15Å; L240-A243 CarbonylContact C-O 3.59Å; L240-A243 PolarHBondContact N-O 3.07Å; L240-A243 CarbonylContact O-C 3.49Å; L240-A243 WeakPolarHBondContact O-CA 3.41Å; L240-A243 WeakPolarHBondContact O-CB 3.47Å; L240-A243 PolarHBondContact O-N 3.35Å; L240-A245 HydrophobicContact CB-CB 4.11Å; L240-A245 HydrophobicContact CD2-CB 4.4Å; L240-V297 HydrophobicContact CD1-CG2 4.29Å; L240-F303 HydrophobicContact CD2-CD2 4.21Å; L240-F303 HydrophobicContact CD2-CE2 3.43Å; L240-F303 VanDerWaalsContact CD2-CE2 3.43Å; L240-F303 HydrophobicContact CD2-CZ 4.06Å; L240-T305 HydrophobicContact CD2-CG2 4.19Å |
| 241 | G | 88.9 | Confident | 91.3 | Very high | 72 Ų | 72 | 23.1 Ų | 23.1 | 74% | 0.742 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -125.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A243 | G241-A243 VanDerWaalsContact C-N 3.35Š|
| 242 | V | 86.7 | Confident | 91.2 | Very high | 123 Ų | 123 | 21.4 Ų | 21.4 | 75% | 0.745 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -22.4 | 174 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | L240 P308 | L240-V242 PolarHBondContact O-N 3.15Å; V242-P308 HydrophobicContact CB-CG 4.18Å; V242-P308 HydrophobicContact CG2-CG 4.19Å; V242-P308 WeakPolarHBondContact O-CG 3.44Å |
| 243 | A | 90.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 177.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | L240 G241 T305 V306 | L240-A243 CarbonylContact C-O 3.59Å; L240-A243 PolarHBondContact N-O 3.07Å; L240-A243 CarbonylContact O-C 3.49Å; L240-A243 WeakPolarHBondContact O-CA 3.41Å; L240-A243 WeakPolarHBondContact O-CB 3.47Å; L240-A243 PolarHBondContact O-N 3.35Å; G241-A243 VanDerWaalsContact C-N 3.35Å; A243-T305 HydrophobicContact CB-CG2 3.73Å; A243-V306 WeakPolarHBondContact CB-O 3.4Å |
| 244 | R | 90.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 24.3 Ų | 24.3 | 12% | 0.121 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 146.2 | 169 | -58.5 | -68.4 | 93.7 | 150 | 3 | 109.4 | E213 V237 G238 T305 V306 L311 M322 | E213-R244 IonicContact OE1-NH1 3.83Å; V237-R244 HydrophobicContact CG1-CB 4.23Å; G238-R244 WeakPolarHBondContact O-CA 3.42Å; R244-T305 CarbonylContact O-C 3.58Å; R244-T305 WeakPolarHBondContact O-CA 3.25Å; R244-V306 HydrophobicContact CB-CB 4.32Å; R244-V306 PolarHBondContact N-O 3.33Å; R244-V306 PolarHBondContact O-N 3.1Å; R244-L311 HydrophobicContact CG-CD2 4.44Å; R244-M322 HydrophobicContact CB-CE 4.11Å; R244-M322 HydrophobicContact CG-CE 3.84Å |
| 245 | A | 91.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | V237 G238 L240 V297 F303 | V237-A245 CarbonylContact C-O 3.31Å; V237-A245 WeakPolarHBondContact CA-O 3.39Å; G238-A245 PolarHBondContact N-O 3.14Å; G238-A245 PolarHBondContact O-N 2.94Å; L240-A245 HydrophobicContact CB-CB 4.11Å; L240-A245 HydrophobicContact CD2-CB 4.4Å; A245-V297 HydrophobicContact CB-CG2 3.91Å; A245-F303 HydrophobicContact CB-CB 4.11Å; A245-F303 HydrophobicContact CB-CD2 3.69Å; A245-F303 HydrophobicContact CB-CE2 4.37Å; A245-F303 HydrophobicContact CB-CG 3.93Å |
| 246 | V | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.2 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 109 | L235 S236 V237 L265 F303 L304 V306 M322 I324 | L235-V246 HydrophobicContact CD1-CG1 4.07Å; L235-V246 HydrophobicContact CD2-CG1 3.95Å; L235-V246 HydrophobicContact CG-CG1 3.86Å; S236-V246 WeakPolarHBondContact O-CA 3.22Å; V237-V246 HydrophobicContact CG2-CG2 4.23Å; V246-L265 HydrophobicContact CG1-CD1 4.06Å; V246-L265 HydrophobicContact CG1-CD2 4.48Å; V246-F303 CarbonylContact O-C 3.57Å; V246-F303 VanDerWaalsContact O-CA 3.31Å; V246-F303 WeakPolarHBondContact O-CA 3.42Å; V246-L304 HydrophobicContact CB-CB 4.45Å; V246-L304 PolarHBondContact N-O 3.17Å; V246-L304 PolarHBondContact O-N 2.97Å; V246-V306 HydrophobicContact CG2-CG2 3.72Å; V246-M322 HydrophobicContact CG2-SD 3.86Å; V246-I324 HydrophobicContact CG2-CD1 4.25Å |
| 247 | S | 92.3 | Very high | 87.9 | Confident | 21 Ų | 21 | 31 Ų | 31 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 158.1 | 177.8 | 64.7 | 0 | 0 | 0 | 0 | 111.2 | L235 S236 | L235-S247 CarbonylContact C-O 3.53Å; L235-S247 WeakPolarHBondContact CA-O 3.47Å; S236-S247 PolarHBondContact N-O 3.1Å; S236-S247 PolarHBondContact O-N 3.32Å |
| 248 | V | 93.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.9 | 175 | 176 | 0 | 0 | 0 | 0 | 108.7 | F233 V234 L235 C263 L265 V284 L326 I328 | F233-V248 HydrophobicContact CB-CG1 4.21Å; F233-V248 HydrophobicContact CD1-CG1 4.26Å; V234-V248 WeakPolarHBondContact O-CA 3.25Å; L235-V248 HydrophobicContact CB-CG2 4.32Å; L235-V248 HydrophobicContact CD1-CG2 4.5Å; L235-V248 HydrophobicContact CG-CG2 4.43Å; V248-C263 HydrophobicContact CB-CB 4.47Å; V248-L265 HydrophobicContact CG2-CD1 4.08Å; V248-L265 HydrophobicContact CG2-CD2 3.99Å; V248-L265 HydrophobicContact CG2-CG 4.31Å; V248-V284 HydrophobicContact CG1-CG1 4.29Å; V248-L326 HydrophobicContact CG2-CD1 3.99Å; V248-I328 HydrophobicContact CG1-CD1 4.45Å |
| 249 | A | 92 | Very high | 87.2 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 144.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F233 V234 A285 | F233-A249 CarbonylContact C-O 3.5Å; F233-A249 WeakPolarHBondContact CA-O 3.3Å; V234-A249 PolarHBondContact N-O 3.35Å; V234-A249 PolarHBondContact O-N 2.84Å; A249-A285 WeakPolarHBondContact CA-O 3.31Å |
| 250 | C | 93 | Very high | 87.3 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 126.5 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | F233 R252 Y261 V284 A285 S287 | F233-C250 HydrophobicContact CD1-CB 3.86Å; F233-C250 HydrophobicContact CE1-CB 3.71Å; C250-R252 PolarHBondContact O-N 3.14Å; C250-Y261 HydrophobicContact CB-CD2 4.41Å; C250-V284 HydrophobicContact CB-CG1 4.03Å; C250-A285 PolarHBondContact N-O 3Å; C250-S287 PolarHBondContact O-N 2.72Å |
| 251 | V | 92.2 | Very high | 87.5 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 102.2 | 177 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | C170 P183 L186 V232 V234 | C170-V251 HydrophobicContact CB-CG1 4.47Å; P183-V251 HydrophobicContact CB-CG1 4.3Å; P183-V251 WeakPolarHBondContact CB-O 3.46Å; L186-V251 HydrophobicContact CD2-CG1 3.74Å; V232-V251 HydrophobicContact CB-CB 4.11Å; V232-V251 HydrophobicContact CB-CG2 4.38Å; V232-V251 HydrophobicContact CG1-CB 4.12Å; V232-V251 HydrophobicContact CG1-CG2 3.9Å; V232-V251 PolarHBondContact O-N 3.46Å; V234-V251 HydrophobicContact CG2-CG2 3.47Å; V234-V251 VanDerWaalsContact CG2-CG2 3.47Å |
| 252 | R | 90.6 | Very high | 87.7 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | trans | -158.8 | 138.3 | 174.1 | 61.3 | -176.1 | -176.3 | 179.8 | -1.3 | 110.4 | C250 N254 A255 A257 G258 P259 S286 S287 A288 | C250-R252 PolarHBondContact O-N 3.14Å; R252-N254 VanDerWaalsContact C-N 3.27Å; R252-N254 VanDerWaalsContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CG-O 3.33Å; R252-N254 PolarHBondContact O-N 3.21Å; R252-A255 PolarHBondContact NH1-O 2.77Å; R252-A255 PolarHBondContact NH2-O 2.83Å; R252-A257 PolarHBondContact NH1-O 3.25Å; R252-G258 PolarHBondContact NH1-O 3.45Å; R252-P259 PolarHBondContact NH1-O 2.86Å; R252-S286 PolarHBondContact NE-OG 2.66Å; R252-S286 PolarHBondContact NH2-OG 3.24Å; R252-S287 CarbonylContact C-O 3.58Å; R252-S287 PolarHBondContact N-O 3.02Å; R252-S287 CarbonylContact O-C 3.5Å; R252-A288 WeakPolarHBondContact O-CA 3.08Å; R252-A288 PolarHBondContact O-N 2.76Å | ||
| 253 | A | 86.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 30.4 Ų | 30.4 | 25% | 0.248 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -65.4 | -32.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A168 P169 C170 A288 | A168-A253 HydrophobicContact CB-CB 3.68Å; P169-A253 VanDerWaalsContact O-CB 3.3Å; P169-A253 WeakPolarHBondContact O-CB 3.31Å; C170-A253 PolarHBondContact SG-N 3.31Å; A253-A288 HydrophobicContact CB-CB 4.35Å |
| 254 | N | 82.2 | Confident | 88.4 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 22% | 0.219 | 20% | 0.196 | C | C | . | . | trans | -120 | 123.5 | -177.9 | -58.9 | -50.4 | 0 | 0 | 0 | 111.7 | Q162 R163 A168 R252 A256 A257 | Q162-N254 PolarHBondContact O-ND2 3.36Å; R163-N254 WeakPolarHBondContact O-CB 3.32Å; R163-N254 PolarHBondContact O-ND2 2.89Å; A168-N254 WeakPolarHBondContact CB-ND2 3.22Å; R252-N254 VanDerWaalsContact C-N 3.27Å; R252-N254 VanDerWaalsContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CD-O 3.26Å; R252-N254 WeakPolarHBondContact CG-O 3.33Å; R252-N254 PolarHBondContact O-N 3.21Å; N254-A256 PolarHBondContact O-N 3.43Å; N254-A257 HydrophobicContact CB-CB 4.06Å; N254-A257 WeakPolarHBondContact O-CB 3.48Å; N254-A257 PolarHBondContact O-N 2.95Å | ||
| 255 | A | 77.7 | Confident | 88.6 | Confident | 67 Ų | 67 | 32.3 Ų | 32.3 | 55% | 0.554 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | R252 A257 | R252-A255 PolarHBondContact NH1-O 2.77Å; R252-A255 PolarHBondContact NH2-O 2.83Å; A255-A257 VanDerWaalsContact C-N 3.33Å |
| 256 | A | 77.1 | Confident | 88.7 | Confident | 71 Ų | 71 | 34.4 Ų | 34.4 | 59% | 0.587 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N254 G258 | N254-A256 PolarHBondContact O-N 3.43Å; A256-G258 PolarHBondContact O-N 3.11Å |
| 257 | A | 75.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -81.8 | 95.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A164 R252 N254 A255 | A164-A257 WeakPolarHBondContact O-CA 3.37Å; A164-A257 VanDerWaalsContact O-CB 3.32Å; A164-A257 WeakPolarHBondContact O-CB 3.48Å; R252-A257 PolarHBondContact NH1-O 3.25Å; N254-A257 HydrophobicContact CB-CB 4.06Å; N254-A257 WeakPolarHBondContact O-CB 3.48Å; N254-A257 PolarHBondContact O-N 2.95Å; A255-A257 VanDerWaalsContact C-N 3.33Å |
| 258 | G | 79.2 | Confident | 88.7 | Confident | 41 Ų | 41 | 34.8 Ų | 34.8 | 42% | 0.423 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 88.1 | -175.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R252 A256 | R252-G258 PolarHBondContact NH1-O 3.45Å; A256-G258 PolarHBondContact O-N 3.11Å |
| 259 | P | 84.5 | Confident | 88.3 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 20% | 0.195 | 20% | 0.203 | C | C | . | . | trans | -68.3 | 170.3 | -170.5 | 28.8 | -35.4 | 0 | 0 | 0 | 112.1 | R252 Y261 I330 | R252-P259 PolarHBondContact NH1-O 2.86Å; P259-Y261 WeakPolarHBondContact CD-OH 3.04Å; P259-Y261 HydrophobicContact CG-CE1 4.03Å; P259-Y261 WeakPolarHBondContact CG-OH 3.48Å; P259-Y261 VanDerWaalsContact O-CE2 3.25Å; P259-Y261 WeakPolarHBondContact O-CE2 3.21Å; P259-I330 HydrophobicContact CB-CG2 3.79Å; P259-I330 HydrophobicContact CG-CG2 4.07Å | ||
| 260 | R | 89.4 | Confident | 87.5 | Confident | 150 Ų | 150 | 37.7 Ų | 37.7 | 57% | 0.566 | 22% | 0.216 | S | C | * | . | trans | -83 | 147.7 | 166.8 | -64.8 | -175.7 | 179.8 | -176.5 | 2.8 | 108.9 | D331 I334 | R260-D331 HydrophobicContact CB-CB 4.18Å; R260-D331 WeakPolarHBondContact O-CB 3.31Å; R260-D331 PolarHBondContact O-N 3.17Å; R260-I334 HydrophobicContact CB-CD1 4.44Å | ||
| 261 | Y | 91.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 152 | 178 | -52.5 | -85.9 | 0 | 0 | 0 | 109.9 | Y203 R231 F233 C250 P259 A283 V284 I328 S329 I330 | Y203-Y261 AromaticContact CE1-CD1 3.99Å; Y203-Y261 HydrophobicContact CE1-CD1 3.99Å; Y203-Y261 AromaticContact CE1-CE1 3.84Å; Y203-Y261 HydrophobicContact CE1-CE1 3.84Å; Y203-Y261 AromaticContact CZ-CE1 3.9Å; R231-Y261 WeakPolarHBondContact CG-OH 3.11Å; F233-Y261 HydrophobicContact CE1-CD1 4.34Å; F233-Y261 AromaticContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CD2 3.86Å; F233-Y261 HydrophobicContact CE1-CE2 4.47Å; F233-Y261 AromaticContact CE1-CG 3.82Å; F233-Y261 HydrophobicContact CE1-CG 3.82Å; F233-Y261 AromaticContact CZ-CD1 3.77Å; F233-Y261 HydrophobicContact CZ-CD1 3.77Å; F233-Y261 AromaticContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CD2 3.89Å; F233-Y261 HydrophobicContact CZ-CE1 4.03Å; F233-Y261 HydrophobicContact CZ-CE2 4.17Å; F233-Y261 AromaticContact CZ-CG 3.72Å; F233-Y261 HydrophobicContact CZ-CG 3.72Å; C250-Y261 HydrophobicContact CB-CD2 4.41Å; P259-Y261 WeakPolarHBondContact CD-OH 3.04Å; P259-Y261 HydrophobicContact CG-CE1 4.03Å; P259-Y261 WeakPolarHBondContact CG-OH 3.48Å; P259-Y261 VanDerWaalsContact O-CE2 3.25Å; P259-Y261 WeakPolarHBondContact O-CE2 3.21Å; Y261-A283 WeakPolarHBondContact O-CA 3.41Å; Y261-V284 PolarHBondContact O-N 3.31Å; Y261-I328 HydrophobicContact CD1-CG2 4.37Å; Y261-S329 CarbonylContact C-O 3.59Å; Y261-S329 VanDerWaalsContact CA-O 3.31Å; Y261-S329 WeakPolarHBondContact CA-O 3.41Å; Y261-I330 HydrophobicContact CD1-CG1 4.2Å; Y261-I330 HydrophobicContact CE1-CG1 4.03Å |
| 262 | R | 93.6 | Very high | 85.1 | Confident | 79 Ų | 79 | 43.1 Ų | 43.1 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 135.9 | 169.8 | -166.3 | 172.7 | -63.7 | 175.8 | 5.5 | 108.4 | D281 S282 I328 S329 D331 | R262-D281 WeakPolarHBondContact CD-OD1 3.45Å; R262-D281 WeakPolarHBondContact CG-OD1 3.47Å; R262-S282 WeakPolarHBondContact CA-O 3.4Å; R262-I328 WeakPolarHBondContact O-CA 3.3Å; R262-S329 PolarHBondContact N-O 3.09Å; R262-S329 PolarHBondContact O-N 2.74Å; R262-D331 HydrophobicContact CB-CB 4.48Å; R262-D331 IonicContact CZ-OD1 3.36Å; R262-D331 IonicContact CZ-OD2 3.29Å; R262-D331 IonicContact NE-OD2 3.02Å; R262-D331 PolarHBondContact NE-OD2 3.19Å; R262-D331 VanDerWaalsContact NE-OD2 3.12Å; R262-D331 IonicContact NH2-OD1 2.8Å; R262-D331 PolarHBondContact NH2-OD1 3.45Å; R262-D331 IonicContact NH2-OD2 2.78Å; R262-D331 PolarHBondContact NH2-OD2 2.98Å |
| 263 | C | 94.5 | Very high | 83.8 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.8 | 174 | 72.7 | 0 | 0 | 0 | 0 | 110.3 | V248 D281 S282 V284 L326 S327 I328 | V248-C263 HydrophobicContact CB-CB 4.47Å; C263-D281 WeakPolarHBondContact O-CA 3.43Å; C263-S282 PolarHBondContact N-O 3.25Å; C263-S282 PolarHBondContact O-N 3.4Å; C263-V284 HydrophobicContact CB-CG2 3.59Å; C263-L326 HydrophobicContact CB-CD1 4.24Å; C263-S327 CarbonylContact C-O 3.58Å; C263-S327 VanDerWaalsContact CA-O 3.28Å; C263-S327 WeakPolarHBondContact CA-O 3.19Å; C263-I328 HydrophobicContact CB-CG1 4.47Å |
| 264 | K | 95.7 | Very high | 82.8 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.4 | 166.7 | -63.8 | 178.4 | 178.8 | 176.4 | 0 | 108.3 | W266 M280 D281 L326 S327 | K264-W266 HydrophobicContact CB-CE3 4.3Å; K264-W266 HydrophobicContact CB-CH2 3.15Å; K264-W266 HydrophobicContact CB-CZ2 3.66Å; K264-W266 HydrophobicContact CB-CZ3 3.51Å; K264-W266 HydrophobicContact CD-CH2 3.8Å; K264-W266 HydrophobicContact CD-CZ2 3.96Å; K264-W266 HydrophobicContact CG-CH2 4.1Å; K264-W266 HydrophobicContact CG-CZ2 4.39Å; K264-W266 VanDerWaalsContact O-CZ3 3.26Å; K264-W266 WeakPolarHBondContact O-CZ3 3.42Å; K264-M280 CarbonylContact C-O 3.12Å; K264-M280 VanDerWaalsContact CA-O 3.29Å; K264-M280 WeakPolarHBondContact CA-O 3.47Å; K264-D281 WeakPolarHBondContact CE-OD2 3.3Å; K264-D281 HydrophobicContact CG-CB 4.2Å; K264-L326 WeakPolarHBondContact O-CA 3.04Å; K264-S327 PolarHBondContact N-O 3.44Å; K264-S327 PolarHBondContact O-N 3.38Å |
| 265 | L | 95.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.6 | 176.4 | -73.4 | 172.8 | 0 | 0 | 0 | 109.1 | L235 V246 V248 H279 M280 L304 I324 R325 L326 | L235-L265 HydrophobicContact CD1-CD2 4.19Å; V246-L265 HydrophobicContact CG1-CD1 4.06Å; V246-L265 HydrophobicContact CG1-CD2 4.48Å; V248-L265 HydrophobicContact CG2-CD1 4.08Å; V248-L265 HydrophobicContact CG2-CD2 3.99Å; V248-L265 HydrophobicContact CG2-CG 4.31Å; L265-H279 CarbonylContact O-C 3.53Å; L265-H279 WeakPolarHBondContact O-CA 3.43Å; L265-H279 VanDerWaalsContact O-CB 3.28Å; L265-H279 WeakPolarHBondContact O-CB 3.25Å; L265-M280 HydrophobicContact CD1-CE 3.76Å; L265-M280 PolarHBondContact N-O 3.43Å; L265-M280 PolarHBondContact O-N 3.09Å; L265-L304 HydrophobicContact CB-CB 4.38Å; L265-L304 HydrophobicContact CB-CD2 3.79Å; L265-L304 HydrophobicContact CD1-CB 4.18Å; L265-I324 HydrophobicContact CD2-CG2 3.76Å; L265-R325 CarbonylContact C-O 3.51Å; L265-R325 WeakPolarHBondContact CA-O 3.49Å; L265-L326 HydrophobicContact CD2-CB 4.16Å; L265-L326 HydrophobicContact CD2-CD1 3.62Å; L265-L326 HydrophobicContact CD2-CG 4.41Å; L265-L326 HydrophobicContact CG-CD1 4.31Å |
| 266 | W | 95 | Very high | 82.7 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 19% | 0.186 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.9 | 168.7 | -55.6 | -102.6 | 0 | 0 | 0 | 109.3 | K264 F277 V278 H279 I324 R325 | K264-W266 HydrophobicContact CB-CE3 4.3Å; K264-W266 HydrophobicContact CB-CH2 3.15Å; K264-W266 HydrophobicContact CB-CZ2 3.66Å; K264-W266 HydrophobicContact CB-CZ3 3.51Å; K264-W266 HydrophobicContact CD-CH2 3.8Å; K264-W266 HydrophobicContact CD-CZ2 3.96Å; K264-W266 HydrophobicContact CG-CH2 4.1Å; K264-W266 HydrophobicContact CG-CZ2 4.39Å; K264-W266 VanDerWaalsContact O-CZ3 3.26Å; K264-W266 WeakPolarHBondContact O-CZ3 3.42Å; W266-F277 AromaticContact CD1-CD2 3.61Å; W266-F277 AromaticContact CD1-CE2 3.71Å; W266-V278 CarbonylContact C-O 3.58Å; W266-V278 WeakPolarHBondContact CA-O 2.97Å; W266-H279 HydrophobicContact CG-CB 4Å; W266-I324 CarbonylContact O-C 3.58Å; W266-I324 WeakPolarHBondContact O-CA 3.49Å; W266-R325 HydrophobicContact CB-CB 4.23Å; W266-R325 HydrophobicContact CE3-CB 3.95Å; W266-R325 PolarHBondContact N-O 3.36Å; W266-R325 PolarHBondContact O-N 3.36Å |
| 267 | A | 93.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | F277 V278 L304 V306 F310 L323 I324 | A267-F277 WeakPolarHBondContact O-CA 3.31Å; A267-F277 WeakPolarHBondContact O-CB 3.45Å; A267-V278 HydrophobicContact CB-CG2 3.78Å; A267-V278 PolarHBondContact N-O 3.21Å; A267-V278 PolarHBondContact O-N 2.82Å; A267-L304 HydrophobicContact CB-CD2 4.17Å; A267-V306 HydrophobicContact CB-CB 4.44Å; A267-V306 HydrophobicContact CB-CG1 3.93Å; A267-V306 HydrophobicContact CB-CG2 3.71Å; A267-F310 HydrophobicContact CB-CD1 4.3Å; A267-F310 VanDerWaalsContact O-CD1 3.27Å; A267-F310 WeakPolarHBondContact O-CD1 3.38Å; A267-F310 WeakPolarHBondContact O-CE1 3.38Å; A267-L323 WeakPolarHBondContact CA-O 3.41Å; A267-I324 HydrophobicContact CB-CD1 3.71Å |
| 268 | H | 89.8 | Confident | 84.3 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 13% | 0.13 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.2 | -175.9 | -75.4 | -90.1 | 0 | 0 | 0 | 112.2 | F277 H312 L323 R325 | H268-F277 AromaticContact CE1-CD1 4Å; H268-H312 PolarHBondContact O-NE2 3.05Å; H268-L323 HydrophobicContact CB-CD2 4.27Å; H268-L323 PolarHBondContact N-O 3.45Å; H268-R325 VanDerWaalsContact NE2-CD 3.3Å; H268-R325 WeakPolarHBondContact NE2-CD 3.39Å |
| 269 | A | 85.1 | Confident | 85 | Confident | 22 Ų | 22 | 56 Ų | 56 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | trans | -69.5 | 147 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G271 G272 D276 F310 | A269-G271 PolarHBondContact O-N 2.92Å; A269-G272 PolarHBondContact O-N 3.4Å; A269-D276 HydrophobicContact CB-CB 3.98Å; A269-D276 PolarHBondContact N-O 3.26Å; A269-F310 HydrophobicContact CB-CD1 4.03Å; A269-F310 HydrophobicContact CB-CE1 3.79Å; A269-F310 HydrophobicContact CB-CZ 4.22Å; A269-F310 VanDerWaalsContact N-CD1 3.28Å; A269-F310 VanDerWaalsContact N-CE1 3.35Å | ||
| 270 | P | 76.7 | Confident | 85.4 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 126.8 | 175.9 | 22.6 | -28.7 | 0 | 0 | 0 | 110.6 | G272 C309 H312 | P270-G272 PolarHBondContact O-N 3.26Å; P270-G272 VanDerWaalsContact O-N 3.08Å; P270-C309 WeakPolarHBondContact CD-O 3.49Å; P270-H312 WeakPolarHBondContact CA-NE2 3.32Å; P270-H312 HydrophobicContact CB-CB 4.42Å |
| 271 | G | 72.1 | Confident | 85.6 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 95% | 0.948 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 5.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A269 | A269-G271 PolarHBondContact O-N 2.92Š|
| 272 | G | 61.5 | Low | 85.6 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | trans | -71 | 146 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A269 P270 D276 | A269-G272 PolarHBondContact O-N 3.4Å; P270-G272 PolarHBondContact O-N 3.26Å; P270-G272 VanDerWaalsContact O-N 3.08Å; G272-D276 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 273 | G | 62.8 | Low | 85.5 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | trans | -63.1 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | A275 D276 | G273-A275 PolarHBondContact O-N 3.13Å; G273-D276 PolarHBondContact N-OD2 3.18Å; G273-D276 PolarHBondContact O-N 2.86Å | ||
| 274 | A | 66 | Low | 85.3 | Confident | 97 Ų | 97 | 51.3 Ų | 51.3 | 80% | 0.802 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -13.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | F277 | A274-F277 WeakPolarHBondContact O-CD1 3.34Å; A274-F277 WeakPolarHBondContact O-CE1 3.3Å |
| 275 | A | 72.7 | Confident | 84.8 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G273 F277 | G273-A275 PolarHBondContact O-N 3.13Å; A275-F277 PolarHBondContact O-N 3.35Å; A275-F277 VanDerWaalsContact O-N 3.15Å |
| 276 | D | 85.8 | Confident | 84.2 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | trans | -92.2 | 77.9 | -174.5 | -66 | -38.4 | 0 | 0 | 0 | 111.4 | A269 G272 G273 | A269-D276 HydrophobicContact CB-CB 3.98Å; A269-D276 PolarHBondContact N-O 3.26Å; G272-D276 WeakPolarHBondContact CA-OD2 3.49Å; G273-D276 PolarHBondContact N-OD2 3.18Å; G273-D276 PolarHBondContact O-N 2.86Å | ||
| 277 | F | 91.4 | Very high | 83.2 | Confident | 81 Ų | 81 | 51 Ų | 51 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151.7 | 177.3 | 65.5 | -92.9 | 0 | 0 | 0 | 113.3 | W266 A267 H268 A274 A275 H279 | W266-F277 AromaticContact CD1-CD2 3.61Å; W266-F277 AromaticContact CD1-CE2 3.71Å; A267-F277 WeakPolarHBondContact O-CA 3.31Å; A267-F277 WeakPolarHBondContact O-CB 3.45Å; H268-F277 AromaticContact CE1-CD1 4Å; A274-F277 WeakPolarHBondContact O-CD1 3.34Å; A274-F277 WeakPolarHBondContact O-CE1 3.3Å; A275-F277 PolarHBondContact O-N 3.35Å; A275-F277 VanDerWaalsContact O-N 3.15Å; F277-H279 HydrophobicContact CD2-CB 3.95Å; F277-H279 HydrophobicContact CE2-CB 4.01Å; F277-H279 AromaticContact CE2-ND1 3.85Å |
| 278 | V | 93.1 | Very high | 82.1 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 141.3 | 159.7 | -66.8 | 0 | 0 | 0 | 0 | 108.2 | W266 A267 L304 F310 | W266-V278 CarbonylContact C-O 3.58Å; W266-V278 WeakPolarHBondContact CA-O 2.97Å; A267-V278 HydrophobicContact CB-CG2 3.78Å; A267-V278 PolarHBondContact N-O 3.21Å; A267-V278 PolarHBondContact O-N 2.82Å; V278-L304 HydrophobicContact CB-CD1 4.08Å; V278-L304 HydrophobicContact CG2-CD1 3.96Å; V278-L304 HydrophobicContact CG2-CD2 4.38Å; V278-L304 HydrophobicContact CG2-CG 4.33Å; V278-F310 HydrophobicContact CG1-CE2 4.19Å; V278-F310 HydrophobicContact CG1-CZ 4Å; V278-F310 HydrophobicContact CG2-CE1 4.43Å |
| 279 | H | 94.3 | Very high | 80.6 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 158.1 | 179.6 | 86 | -78.4 | 0 | 0 | 0 | 112.8 | L265 W266 F277 | L265-H279 CarbonylContact O-C 3.53Å; L265-H279 WeakPolarHBondContact O-CA 3.43Å; L265-H279 VanDerWaalsContact O-CB 3.28Å; L265-H279 WeakPolarHBondContact O-CB 3.25Å; W266-H279 HydrophobicContact CG-CB 4Å; F277-H279 HydrophobicContact CD2-CB 3.95Å; F277-H279 HydrophobicContact CE2-CB 4.01Å; F277-H279 AromaticContact CE2-ND1 3.85Å |
| 280 | M | 93.9 | Very high | 79.1 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.6 | 172.3 | 179.8 | -179.4 | 78.5 | 0 | 0 | 108.7 | K264 L265 R302 L304 | K264-M280 CarbonylContact C-O 3.12Å; K264-M280 VanDerWaalsContact CA-O 3.29Å; K264-M280 WeakPolarHBondContact CA-O 3.47Å; L265-M280 HydrophobicContact CD1-CE 3.76Å; L265-M280 PolarHBondContact N-O 3.43Å; L265-M280 PolarHBondContact O-N 3.09Å; M280-R302 HydrophobicContact SD-CB 4.08Å; M280-L304 HydrophobicContact CB-CB 4.01Å; M280-L304 HydrophobicContact CB-CD1 4.07Å |
| 281 | D | 93.5 | Very high | 78 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.1 | 166.7 | -171.2 | -11.4 | 0 | 0 | 0 | 107.9 | R262 C263 K264 | R262-D281 WeakPolarHBondContact CD-OD1 3.45Å; R262-D281 WeakPolarHBondContact CG-OD1 3.47Å; C263-D281 WeakPolarHBondContact O-CA 3.43Å; K264-D281 WeakPolarHBondContact CE-OD2 3.3Å; K264-D281 HydrophobicContact CG-CB 4.2Å |
| 282 | S | 91.4 | Very high | 76.4 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 148.4 | -174.3 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | R262 C263 R302 | R262-S282 WeakPolarHBondContact CA-O 3.4Å; C263-S282 PolarHBondContact N-O 3.25Å; C263-S282 PolarHBondContact O-N 3.4Å; S282-R302 WeakPolarHBondContact OG-CB 3.44Å; S282-R302 VanDerWaalsContact OG-CD 3.28Å; S282-R302 WeakPolarHBondContact OG-CD 3.37Å |
| 283 | A | 91.1 | Very high | 75.6 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 45% | 0.446 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 142.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y261 | Y261-A283 WeakPolarHBondContact O-CA 3.41Å |
| 284 | V | 90 | Very high | 74.5 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 124.2 | -178.3 | -179 | 0 | 0 | 0 | 0 | 109.7 | F233 V248 C250 Y261 C263 | F233-V284 HydrophobicContact CD1-CG1 3.98Å; F233-V284 HydrophobicContact CE1-CG1 4.04Å; V248-V284 HydrophobicContact CG1-CG1 4.29Å; C250-V284 HydrophobicContact CB-CG1 4.03Å; Y261-V284 PolarHBondContact O-N 3.31Å; C263-V284 HydrophobicContact CB-CG2 3.59Å |
| 285 | A | 85.9 | Confident | 73.7 | Confident | 50 Ų | 50 | 51.5 Ų | 51.5 | 41% | 0.413 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 156 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A249 C250 | A249-A285 WeakPolarHBondContact CA-O 3.31Å; C250-A285 PolarHBondContact N-O 3Å |
| 286 | S | 82 | Confident | 72.4 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.5 | 175.3 | -52.6 | 0 | 0 | 0 | 0 | 109.5 | R252 | R252-S286 PolarHBondContact NE-OG 2.66Å; R252-S286 PolarHBondContact NH2-OG 3.24Å |
| 287 | S | 74.9 | Confident | 70.7 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129.8 | 176.8 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | C250 R252 A289 | C250-S287 PolarHBondContact O-N 2.72Å; R252-S287 CarbonylContact C-O 3.58Å; R252-S287 PolarHBondContact N-O 3.02Å; R252-S287 CarbonylContact O-C 3.5Å; S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 WeakPolarHBondContact CB-O 3.2Å; S287-A289 PolarHBondContact OG-O 3.45Å |
| 288 | A | 69.3 | Low | 68.8 | Low | 47 Ų | 47 | 49.8 Ų | 49.8 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -75.4 | -17.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C170 S171 R252 A253 | C170-A288 WeakPolarHBondContact CA-O 3.4Å; C170-A288 WeakPolarHBondContact CB-O 3.43Å; C170-A288 PolarHBondContact SG-O 3.05Å; S171-A288 PolarHBondContact N-O 2.78Å; R252-A288 WeakPolarHBondContact O-CA 3.08Å; R252-A288 PolarHBondContact O-N 2.76Å; A253-A288 HydrophobicContact CB-CB 4.35Å |
| 289 | A | 59.4 | Low | 66.5 | Low | 26 Ų | 26 | 57.3 Ų | 57.3 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -115 | 139.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S287 | S287-A289 VanDerWaalsContact C-N 3.26Å; S287-A289 WeakPolarHBondContact CB-O 3.2Å; S287-A289 PolarHBondContact OG-O 3.45Å |
| 290 | A | 54.3 | Low | 64.5 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -56.7 | 135.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106 | S173 L186 L190 W196 V234 G292 | S173-A290 WeakPolarHBondContact CB-O 3.24Å; S173-A290 PolarHBondContact OG-O 2.84Å; L186-A290 HydrophobicContact CD2-CB 4.45Å; L190-A290 HydrophobicContact CD1-CB 3.89Å; W196-A290 HydrophobicContact CH2-CB 3.71Å; W196-A290 HydrophobicContact CZ3-CB 3.87Å; V234-A290 HydrophobicContact CG2-CB 3.94Å; A290-G292 PolarHBondContact O-N 3.38Å | ||
| 291 | P | 52.4 | Low | 63.1 | Low | 41 Ų | 41 | 60.4 Ų | 60.4 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | trans | -59.9 | 135.7 | 179.1 | -21.5 | 31 | 0 | 0 | 0 | 110.2 | S173 R217 | S173-P291 PolarHBondContact OG-O 2.86Å; R217-P291 WeakPolarHBondContact CD-O 3.46Å; R217-P291 VanDerWaalsContact CZ-O 3.25Å; R217-P291 PolarHBondContact NE-O 3.27Å; R217-P291 VanDerWaalsContact NE-O 3.11Å; R217-P291 PolarHBondContact NH1-O 3.34Å; R217-P291 VanDerWaalsContact NH1-O 3.17Å | ||
| 292 | G | 39.2 | Very low | 62.7 | Low | 32 Ų | 32 | 65.3 Ų | 65.3 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | trans | -147.7 | 137.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | S173 A290 | S173-G292 CarbonylContact O-C 3.55Å; S173-G292 WeakPolarHBondContact O-CA 3.47Å; S173-G292 WeakPolarHBondContact OG-CA 2.9Å; S173-G292 PolarHBondContact OG-N 2.81Å; A290-G292 PolarHBondContact O-N 3.38Å | ||
| 293 | G | 43.9 | Very low | 62.6 | Low | 28 Ų | 28 | 68.2 Ų | 68.2 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 99.6 | -175.5 | -154.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R217 V295 | R217-G293 PolarHBondContact NH1-O 3.5Å; G293-V295 PolarHBondContact O-N 2.81Å |
| 294 | E | 39.2 | Very low | 62.8 | Low | 189 Ų | 189 | 66 Ų | 66 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -56.6 | 126.5 | 169.9 | -80.2 | -169.3 | 143.4 | 0 | 0 | 108.4 | A296 | E294-A296 PolarHBondContact O-N 3.34Š|
| 295 | V | 51 | Low | 62.9 | Low | 26 Ų | 26 | 68.2 Ų | 68.2 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | trans | -71 | 82.4 | 171.2 | -175 | 0 | 0 | 0 | 0 | 105.7 | G293 V297 | G293-V295 PolarHBondContact O-N 2.81Å; V295-V297 PolarHBondContact O-N 3.42Å | ||
| 296 | A | 45.5 | Very low | 63.3 | Low | 80 Ų | 80 | 65.9 Ų | 65.9 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | trans | -53.5 | 130 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | E294 D298 | E294-A296 PolarHBondContact O-N 3.34Å; A296-D298 VanDerWaalsContact C-N 3.27Å; A296-D298 PolarHBondContact O-N 2.79Å | ||
| 297 | V | 49.2 | Very low | 63.7 | Low | 39 Ų | 39 | 65.8 Ų | 65.8 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | trans | -57.4 | 103.6 | 171 | 178.2 | 0 | 0 | 0 | 0 | 105.3 | L240 A245 V295 E299 F303 | L240-V297 HydrophobicContact CD1-CG2 4.29Å; A245-V297 HydrophobicContact CB-CG2 3.91Å; V295-V297 PolarHBondContact O-N 3.42Å; V297-E299 PolarHBondContact O-N 2.96Å; V297-E299 VanDerWaalsContact O-N 3.11Å; V297-F303 HydrophobicContact CG1-CD1 3.4Å; V297-F303 HydrophobicContact CG1-CE1 3.09Å; V297-F303 HydrophobicContact CG1-CG 4.28Å; V297-F303 HydrophobicContact CG1-CZ 3.76Å | ||
| 298 | D | 51.5 | Low | 64.3 | Low | 94 Ų | 94 | 66.9 Ų | 66.9 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | trans | -59.9 | 116.5 | 173.7 | 176.6 | 4.2 | 0 | 0 | 0 | 105.6 | A296 E300 A301 | A296-D298 VanDerWaalsContact C-N 3.27Å; A296-D298 PolarHBondContact O-N 2.79Å; D298-E300 PolarHBondContact O-N 2.88Å; D298-E300 VanDerWaalsContact O-N 3.07Å; D298-E300 PolarHBondContact OD1-N 3.32Å; D298-A301 HydrophobicContact CB-CB 3.73Å; D298-A301 WeakPolarHBondContact O-CB 3.27Å; D298-A301 PolarHBondContact O-N 3.38Å | ||
| 299 | E | 45.8 | Very low | 65.2 | Low | 196 Ų | 196 | 68.9 Ų | 68.9 | 92% | 0.916 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.7 | -173.7 | -65.5 | -154.3 | 124.7 | 0 | 0 | 111.7 | V297 | V297-E299 PolarHBondContact O-N 2.96Å; V297-E299 VanDerWaalsContact O-N 3.11Å |
| 300 | E | 52.3 | Low | 66.7 | Low | 181 Ų | 181 | 68.8 Ų | 68.8 | 85% | 0.846 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -16 | 175.2 | -60.1 | -174.1 | 169.2 | 0 | 0 | 113 | D298 | D298-E300 PolarHBondContact O-N 2.88Å; D298-E300 VanDerWaalsContact O-N 3.07Å; D298-E300 PolarHBondContact OD1-N 3.32Å |
| 301 | A | 64.3 | Low | 68.2 | Low | 20 Ų | 20 | 69.5 Ų | 69.5 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -83.7 | 130.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D298 F303 | D298-A301 HydrophobicContact CB-CB 3.73Å; D298-A301 WeakPolarHBondContact O-CB 3.27Å; D298-A301 PolarHBondContact O-N 3.38Å; A301-F303 VanDerWaalsContact O-CD1 3.3Å; A301-F303 WeakPolarHBondContact O-CD1 3.19Å |
| 302 | R | 84.2 | Confident | 69.6 | Low | 172 Ų | 172 | 69.2 Ų | 69.2 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | trans | -76.9 | 128.4 | 169.2 | -53.6 | -157.6 | -165.6 | 166.1 | -6.8 | 109.5 | M280 S282 | M280-R302 HydrophobicContact SD-CB 4.08Å; S282-R302 WeakPolarHBondContact OG-CB 3.44Å; S282-R302 VanDerWaalsContact OG-CD 3.28Å; S282-R302 WeakPolarHBondContact OG-CD 3.37Å | ||
| 303 | F | 90.5 | Very high | 71.3 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | trans | -130.2 | 149.3 | -179.7 | 56.6 | -92.6 | 0 | 0 | 0 | 111.3 | L240 A245 V246 V297 A301 | L240-F303 HydrophobicContact CD2-CD2 4.21Å; L240-F303 HydrophobicContact CD2-CE2 3.43Å; L240-F303 VanDerWaalsContact CD2-CE2 3.43Å; L240-F303 HydrophobicContact CD2-CZ 4.06Å; A245-F303 HydrophobicContact CB-CB 4.11Å; A245-F303 HydrophobicContact CB-CD2 3.69Å; A245-F303 HydrophobicContact CB-CE2 4.37Å; A245-F303 HydrophobicContact CB-CG 3.93Å; V246-F303 CarbonylContact O-C 3.57Å; V246-F303 VanDerWaalsContact O-CA 3.31Å; V246-F303 WeakPolarHBondContact O-CA 3.42Å; V297-F303 HydrophobicContact CG1-CD1 3.4Å; V297-F303 HydrophobicContact CG1-CE1 3.09Å; V297-F303 HydrophobicContact CG1-CG 4.28Å; V297-F303 HydrophobicContact CG1-CZ 3.76Å; A301-F303 VanDerWaalsContact O-CD1 3.3Å; A301-F303 WeakPolarHBondContact O-CD1 3.19Å | ||
| 304 | L | 93.7 | Very high | 72.5 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 119.8 | 168 | 176.3 | 62.2 | 0 | 0 | 0 | 108.8 | V246 L265 A267 V278 M280 V306 | V246-L304 HydrophobicContact CB-CB 4.45Å; V246-L304 PolarHBondContact N-O 3.17Å; V246-L304 PolarHBondContact O-N 2.97Å; L265-L304 HydrophobicContact CB-CB 4.38Å; L265-L304 HydrophobicContact CB-CD2 3.79Å; L265-L304 HydrophobicContact CD1-CB 4.18Å; A267-L304 HydrophobicContact CB-CD2 4.17Å; V278-L304 HydrophobicContact CB-CD1 4.08Å; V278-L304 HydrophobicContact CG2-CD1 3.96Å; V278-L304 HydrophobicContact CG2-CD2 4.38Å; V278-L304 HydrophobicContact CG2-CG 4.33Å; M280-L304 HydrophobicContact CB-CB 4.01Å; M280-L304 HydrophobicContact CB-CD1 4.07Å; L304-V306 HydrophobicContact CD2-CG2 4.26Å; L304-V306 HydrophobicContact CG-CG2 4.13Å; L304-V306 PolarHBondContact O-N 2.95Å |
| 305 | T | 93.5 | Very high | 73.4 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120 | 169.7 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | L240 A243 R244 P307 | L240-T305 HydrophobicContact CD2-CG2 4.19Å; A243-T305 HydrophobicContact CB-CG2 3.73Å; R244-T305 CarbonylContact O-C 3.58Å; R244-T305 WeakPolarHBondContact O-CA 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.26Å |
| 306 | V | 92.5 | Very high | 73.9 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 107.1 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | A243 R244 V246 A267 L304 F310 I324 | A243-V306 WeakPolarHBondContact CB-O 3.4Å; R244-V306 HydrophobicContact CB-CB 4.32Å; R244-V306 PolarHBondContact N-O 3.33Å; R244-V306 PolarHBondContact O-N 3.1Å; V246-V306 HydrophobicContact CG2-CG2 3.72Å; A267-V306 HydrophobicContact CB-CB 4.44Å; A267-V306 HydrophobicContact CB-CG1 3.93Å; A267-V306 HydrophobicContact CB-CG2 3.71Å; L304-V306 HydrophobicContact CD2-CG2 4.26Å; L304-V306 HydrophobicContact CG-CG2 4.13Å; L304-V306 PolarHBondContact O-N 2.95Å; V306-F310 HydrophobicContact CG1-CB 3.59Å; V306-F310 HydrophobicContact CG1-CG 4.4Å; V306-I324 HydrophobicContact CG2-CD1 4.37Å |
| 307 | P | 90.8 | Very high | 74.7 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 26% | 0.26 | 42% | 0.416 | S | S | . | . | trans | -65.2 | 156.6 | 178.6 | -20.7 | 32.2 | 0 | 0 | 0 | 112.5 | T305 C309 F310 | T305-P307 WeakPolarHBondContact O-CD 3.26Å; P307-C309 PolarHBondContact O-N 2.9Å; P307-F310 HydrophobicContact CB-CD2 4.09Å; P307-F310 HydrophobicContact CG-CD2 4.02Å; P307-F310 HydrophobicContact CG-CE2 4.18Å; P307-F310 WeakPolarHBondContact O-CB 3.38Å; P307-F310 PolarHBondContact O-N 3.43Å | ||
| 308 | P | 88.6 | Confident | 75.7 | Confident | 59 Ų | 59 | 79.9 Ų | 79.9 | 38% | 0.383 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -54.4 | -29.4 | 178.8 | -27.9 | 34.4 | 0 | 0 | 0 | 115.5 | V242 F310 L311 | V242-P308 HydrophobicContact CB-CG 4.18Å; V242-P308 HydrophobicContact CG2-CG 4.19Å; V242-P308 WeakPolarHBondContact O-CG 3.44Å; P308-F310 PolarHBondContact O-N 3.47Å; P308-L311 WeakPolarHBondContact O-CB 3.46Å; P308-L311 PolarHBondContact O-N 3.29Å; P308-L311 VanDerWaalsContact O-N 3.14Å |
| 309 | C | 88.5 | Confident | 76.7 | Confident | 89 Ų | 89 | 77.4 Ų | 77.4 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -68.8 | -11.8 | 178.7 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | P270 P307 | P270-C309 WeakPolarHBondContact CD-O 3.49Å; P307-C309 PolarHBondContact O-N 2.9Å |
| 310 | F | 89.7 | Confident | 78.6 | Confident | 23 Ų | 23 | 71.9 Ų | 71.9 | 10% | 0.101 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -90.6 | -1.2 | 174.3 | -74 | -99.8 | 0 | 0 | 0 | 113 | A267 A269 V278 V306 P307 P308 H312 | A267-F310 HydrophobicContact CB-CD1 4.3Å; A267-F310 VanDerWaalsContact O-CD1 3.27Å; A267-F310 WeakPolarHBondContact O-CD1 3.38Å; A267-F310 WeakPolarHBondContact O-CE1 3.38Å; A269-F310 HydrophobicContact CB-CD1 4.03Å; A269-F310 HydrophobicContact CB-CE1 3.79Å; A269-F310 HydrophobicContact CB-CZ 4.22Å; A269-F310 VanDerWaalsContact N-CD1 3.28Å; A269-F310 VanDerWaalsContact N-CE1 3.35Å; V278-F310 HydrophobicContact CG1-CE2 4.19Å; V278-F310 HydrophobicContact CG1-CZ 4Å; V278-F310 HydrophobicContact CG2-CE1 4.43Å; V306-F310 HydrophobicContact CG1-CB 3.59Å; V306-F310 HydrophobicContact CG1-CG 4.4Å; P307-F310 HydrophobicContact CB-CD2 4.09Å; P307-F310 HydrophobicContact CG-CD2 4.02Å; P307-F310 HydrophobicContact CG-CE2 4.18Å; P307-F310 WeakPolarHBondContact O-CB 3.38Å; P307-F310 PolarHBondContact O-N 3.43Å; P308-F310 PolarHBondContact O-N 3.47Å; F310-H312 PolarHBondContact O-CD2 2.87Å |
| 311 | L | 85.5 | Confident | 80.3 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 115.1 | 177.4 | -56 | -178.5 | 0 | 0 | 0 | 109.7 | R244 P308 K320 E321 M322 | R244-L311 HydrophobicContact CG-CD2 4.44Å; P308-L311 WeakPolarHBondContact O-CB 3.46Å; P308-L311 PolarHBondContact O-N 3.29Å; P308-L311 VanDerWaalsContact O-N 3.14Å; L311-K320 HydrophobicContact CB-CB 4.11Å; L311-K320 HydrophobicContact CB-CD 3.97Å; L311-K320 HydrophobicContact CB-CG 4.48Å; L311-K320 HydrophobicContact CD1-CD 4.1Å; L311-E321 CarbonylContact C-O 3.57Å; L311-E321 WeakPolarHBondContact CA-O 3.29Å; L311-M322 HydrophobicContact CD2-CB 3.99Å; L311-M322 HydrophobicContact CD2-CE 3.86Å |
| 312 | H | 82 | Confident | 81.5 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 133.2 | 179 | -61.3 | -160.3 | 0 | 0 | 0 | 108.4 | H268 P270 F310 L314 K320 E321 | H268-H312 PolarHBondContact O-NE2 3.05Å; P270-H312 WeakPolarHBondContact CA-NE2 3.32Å; P270-H312 HydrophobicContact CB-CB 4.42Å; F310-H312 PolarHBondContact O-CD2 2.87Å; H312-L314 PolarHBondContact O-N 3.42Å; H312-K320 CarbonylContact O-C 3.49Å; H312-K320 WeakPolarHBondContact O-CA 3.26Å; H312-E321 HydrophobicContact CB-CG 3.96Å; H312-E321 PolarHBondContact N-O 2.99Å; H312-E321 PolarHBondContact O-N 3.42Å |
| 313 | L | 76.3 | Confident | 81.9 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 63% | 0.628 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121.8 | 172.6 | -75.1 | 162.6 | 0 | 0 | 0 | 109 | K320 | L313-K320 HydrophobicContact CD2-CG 3.85Å |
| 314 | L | 69 | Low | 82 | Confident | 58 Ų | 58 | 54 Ų | 54 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 157.3 | 170 | -73.8 | 170.4 | 0 | 0 | 0 | 110.5 | H312 A316 G317 S319 E321 | H312-L314 PolarHBondContact O-N 3.42Å; L314-A316 PolarHBondContact O-N 2.88Å; L314-G317 PolarHBondContact O-N 3.25Å; L314-S319 PolarHBondContact N-O 2.99Å; L314-E321 HydrophobicContact CD1-CB 3.98Å; L314-E321 HydrophobicContact CD1-CG 4.12Å; L314-E321 VanDerWaalsContact CD2-CD 3.46Å; L314-E321 HydrophobicContact CD2-CG 4Å; L314-E321 WeakPolarHBondContact CD2-OE2 3.47Å; L314-E321 HydrophobicContact CG-CB 4.26Å; L314-E321 HydrophobicContact CG-CG 3.88Å |
| 315 | D | 56.5 | Low | 82 | Confident | 162 Ų | 162 | 58.2 Ų | 58.2 | 87% | 0.866 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | 136.1 | -174.7 | -68.3 | -38.8 | 0 | 0 | 0 | 112.7 | ||
| 316 | A | 62.2 | Low | 82.1 | Confident | 98 Ų | 98 | 55.3 Ų | 55.3 | 81% | 0.81 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 2.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | L314 T318 | L314-A316 PolarHBondContact O-N 2.88Å; A316-T318 PolarHBondContact O-N 3.44Å |
| 317 | G | 62.9 | Low | 82.3 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 73.4 | 8.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L314 | L314-G317 PolarHBondContact O-N 3.25Š|
| 318 | T | 69 | Low | 82.5 | Confident | 131 Ų | 131 | 54 Ų | 54 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -97.8 | -21.9 | -177.7 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | A316 | A316-T318 PolarHBondContact O-N 3.44Š|
| 319 | S | 74 | Confident | 82.7 | Confident | 42 Ų | 42 | 53 Ų | 53 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | trans | -121.6 | 146.8 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | L314 | L314-S319 PolarHBondContact N-O 2.99Š| ||
| 320 | K | 84.4 | Confident | 82.8 | Confident | 79 Ų | 79 | 52 Ų | 52 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.9 | 172.4 | -64.7 | 177.4 | -173.4 | 172.7 | 0 | 109.5 | E213 L311 H312 L313 | E213-K320 HydrophobicContact CB-CB 4.23Å; E213-K320 WeakPolarHBondContact CB-O 3.34Å; E213-K320 PolarHBondContact N-O 3.03Å; L311-K320 HydrophobicContact CB-CB 4.11Å; L311-K320 HydrophobicContact CB-CD 3.97Å; L311-K320 HydrophobicContact CB-CG 4.48Å; L311-K320 HydrophobicContact CD1-CD 4.1Å; H312-K320 CarbonylContact O-C 3.49Å; H312-K320 WeakPolarHBondContact O-CA 3.26Å; L313-K320 HydrophobicContact CD2-CG 3.85Å |
| 321 | E | 88.7 | Confident | 82.6 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 162.2 | 170.9 | 67.1 | 176.2 | -160.6 | 0 | 0 | 110.9 | H210 V211 L311 H312 L314 | H210-E321 IonicContact CE1-OE1 3.5Å; H210-E321 IonicContact CG-OE1 3.68Å; H210-E321 IonicContact ND1-OE1 2.74Å; H210-E321 PolarHBondContact ND1-OE1 3.44Å; H210-E321 IonicContact ND1-OE2 2.82Å; V211-E321 CarbonylContact O-C 3.46Å; V211-E321 WeakPolarHBondContact O-CA 3.42Å; L311-E321 CarbonylContact C-O 3.57Å; L311-E321 WeakPolarHBondContact CA-O 3.29Å; H312-E321 HydrophobicContact CB-CG 3.96Å; H312-E321 PolarHBondContact N-O 2.99Å; H312-E321 PolarHBondContact O-N 3.42Å; L314-E321 HydrophobicContact CD1-CB 3.98Å; L314-E321 HydrophobicContact CD1-CG 4.12Å; L314-E321 VanDerWaalsContact CD2-CD 3.46Å; L314-E321 HydrophobicContact CD2-CG 4Å; L314-E321 WeakPolarHBondContact CD2-OE2 3.47Å; L314-E321 HydrophobicContact CG-CB 4.26Å; L314-E321 HydrophobicContact CG-CG 3.88Å |
| 322 | M | 89.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.3 | 171 | 58.3 | -171.2 | 85.3 | 0 | 0 | 109.3 | V211 V237 R244 V246 L311 I324 | V211-M322 HydrophobicContact CB-CG 3.82Å; V211-M322 PolarHBondContact N-O 2.84Å; V211-M322 WeakPolarHBondContact O-CG 3.34Å; V211-M322 PolarHBondContact O-N 3.1Å; V237-M322 HydrophobicContact CG1-CE 3.72Å; V237-M322 HydrophobicContact CG1-SD 4.25Å; V237-M322 HydrophobicContact CG2-SD 4.42Å; R244-M322 HydrophobicContact CB-CE 4.11Å; R244-M322 HydrophobicContact CG-CE 3.84Å; V246-M322 HydrophobicContact CG2-SD 3.86Å; L311-M322 HydrophobicContact CD2-CB 3.99Å; L311-M322 HydrophobicContact CD2-CE 3.86Å; M322-I324 HydrophobicContact CB-CD1 4.33Å; M322-I324 HydrophobicContact CG-CD1 3.99Å; M322-I324 HydrophobicContact CG-CG1 3.85Å; M322-I324 PolarHBondContact O-N 3.46Å; M322-I324 HydrophobicContact SD-CD1 4Å; M322-I324 HydrophobicContact SD-CG1 4.17Å |
| 323 | L | 91.3 | Very high | 80.7 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 102.5 | 173.6 | -173.8 | 65.4 | 0 | 0 | 0 | 109.2 | T208 H210 A267 H268 | T208-L323 HydrophobicContact CG2-CD1 3.36Å; T208-L323 HydrophobicContact CG2-CG 4.15Å; H210-L323 WeakPolarHBondContact NE2-CD1 2.96Å; A267-L323 WeakPolarHBondContact CA-O 3.41Å; H268-L323 HydrophobicContact CB-CD2 4.27Å; H268-L323 PolarHBondContact N-O 3.45Å |
| 324 | I | 93 | Very high | 79.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.9 | 178.2 | -55.9 | -60 | 0 | 0 | 0 | 109.8 | I209 V211 L235 V246 L265 W266 A267 V306 M322 | I209-I324 PolarHBondContact N-O 3.24Å; I209-I324 PolarHBondContact O-N 3.41Å; V211-I324 HydrophobicContact CG2-CB 4.43Å; V211-I324 HydrophobicContact CG2-CG1 4.09Å; L235-I324 HydrophobicContact CD1-CG2 3.96Å; V246-I324 HydrophobicContact CG2-CD1 4.25Å; L265-I324 HydrophobicContact CD2-CG2 3.76Å; W266-I324 CarbonylContact O-C 3.58Å; W266-I324 WeakPolarHBondContact O-CA 3.49Å; A267-I324 HydrophobicContact CB-CD1 3.71Å; V306-I324 HydrophobicContact CG2-CD1 4.37Å; M322-I324 HydrophobicContact CB-CD1 4.33Å; M322-I324 HydrophobicContact CG-CD1 3.99Å; M322-I324 HydrophobicContact CG-CG1 3.85Å; M322-I324 PolarHBondContact O-N 3.46Å; M322-I324 HydrophobicContact SD-CD1 4Å; M322-I324 HydrophobicContact SD-CG1 4.17Å |
| 325 | R | 94.6 | Very high | 78.7 | Confident | 98 Ų | 98 | 61.9 Ų | 61.9 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.9 | 164.1 | -59.3 | 175.2 | 72.2 | -166.8 | 0.1 | 108.3 | V206 L207 T208 L265 W266 H268 | V206-R325 HydrophobicContact CG1-CB 3.86Å; V206-R325 HydrophobicContact CG1-CG 4.46Å; L207-R325 CarbonylContact O-C 3.44Å; L207-R325 VanDerWaalsContact O-CA 3.28Å; L207-R325 WeakPolarHBondContact O-CA 2.78Å; T208-R325 HydrophobicContact CG2-CG 4.27Å; L265-R325 CarbonylContact C-O 3.51Å; L265-R325 WeakPolarHBondContact CA-O 3.49Å; W266-R325 HydrophobicContact CB-CB 4.23Å; W266-R325 HydrophobicContact CE3-CB 3.95Å; W266-R325 PolarHBondContact N-O 3.36Å; W266-R325 PolarHBondContact O-N 3.36Å; H268-R325 VanDerWaalsContact NE2-CD 3.3Å; H268-R325 WeakPolarHBondContact NE2-CD 3.39Å |
| 326 | L | 95.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.2 | -176.9 | 169.9 | 63.4 | 0 | 0 | 0 | 109.1 | L207 I209 V220 L235 V248 C263 K264 L265 I328 | L207-L326 PolarHBondContact N-O 3.02Å; L207-L326 PolarHBondContact O-N 3.32Å; I209-L326 HydrophobicContact CD1-CD2 4.31Å; V220-L326 HydrophobicContact CB-CD2 4.29Å; V220-L326 HydrophobicContact CG1-CD2 4.04Å; V220-L326 HydrophobicContact CG2-CD2 3.75Å; L235-L326 HydrophobicContact CD1-CD2 4.41Å; V248-L326 HydrophobicContact CG2-CD1 3.99Å; C263-L326 HydrophobicContact CB-CD1 4.24Å; K264-L326 WeakPolarHBondContact O-CA 3.04Å; L265-L326 HydrophobicContact CD2-CB 4.16Å; L265-L326 HydrophobicContact CD2-CD1 3.62Å; L265-L326 HydrophobicContact CD2-CG 4.41Å; L265-L326 HydrophobicContact CG-CD1 4.31Å; L326-I328 HydrophobicContact CD1-CD1 4.39Å; L326-I328 HydrophobicContact CD1-CG1 3.87Å; L326-I328 HydrophobicContact CD2-CD1 4.14Å; L326-I328 HydrophobicContact CD2-CG1 4.4Å; L326-I328 HydrophobicContact CG-CD1 4.4Å; L326-I328 HydrophobicContact CG-CG1 4.12Å |
| 327 | S | 96.2 | Very high | 76.6 | Confident | 11 Ų | 11 | 66 Ų | 66 | 8% | 0.077 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.4 | 165.7 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | G204 E205 C263 K264 | G204-S327 PolarHBondContact O-OG 3.34Å; E205-S327 WeakPolarHBondContact O-CA 3.01Å; E205-S327 VanDerWaalsContact O-CB 3.3Å; E205-S327 WeakPolarHBondContact O-CB 3.17Å; E205-S327 PolarHBondContact O-OG 2.9Å; C263-S327 CarbonylContact C-O 3.58Å; C263-S327 VanDerWaalsContact CA-O 3.28Å; C263-S327 WeakPolarHBondContact CA-O 3.19Å; K264-S327 PolarHBondContact N-O 3.44Å; K264-S327 PolarHBondContact O-N 3.38Å |
| 328 | I | 95 | Very high | 77.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.1 | 177.2 | -60.2 | 174.2 | 0 | 0 | 0 | 107.4 | Y203 G204 V220 A222 F233 V248 Y261 R262 C263 L326 | Y203-I328 CarbonylContact C-O 3.56Å; Y203-I328 VanDerWaalsContact CA-O 3.3Å; Y203-I328 WeakPolarHBondContact CA-O 3.38Å; Y203-I328 HydrophobicContact CD1-CG2 4.16Å; Y203-I328 HydrophobicContact CE1-CG2 4.17Å; G204-I328 PolarHBondContact N-O 2.78Å; V220-I328 HydrophobicContact CG1-CD1 4.05Å; A222-I328 HydrophobicContact CB-CB 4.29Å; A222-I328 HydrophobicContact CB-CD1 4.24Å; A222-I328 HydrophobicContact CB-CG2 4.33Å; F233-I328 HydrophobicContact CB-CD1 4Å; F233-I328 HydrophobicContact CD1-CD1 3.93Å; F233-I328 HydrophobicContact CD2-CD1 3.75Å; F233-I328 HydrophobicContact CE1-CD1 4.35Å; F233-I328 HydrophobicContact CE1-CG2 3.92Å; F233-I328 HydrophobicContact CE2-CD1 4.22Å; F233-I328 HydrophobicContact CE2-CG2 4.12Å; F233-I328 HydrophobicContact CG-CD1 3.61Å; F233-I328 HydrophobicContact CZ-CD1 4.5Å; F233-I328 HydrophobicContact CZ-CG2 3.71Å; V248-I328 HydrophobicContact CG1-CD1 4.45Å; Y261-I328 HydrophobicContact CD1-CG2 4.37Å; R262-I328 WeakPolarHBondContact O-CA 3.3Å; C263-I328 HydrophobicContact CB-CG1 4.47Å; L326-I328 HydrophobicContact CD1-CD1 4.39Å; L326-I328 HydrophobicContact CD1-CG1 3.87Å; L326-I328 HydrophobicContact CD2-CD1 4.14Å; L326-I328 HydrophobicContact CD2-CG1 4.4Å; L326-I328 HydrophobicContact CG-CD1 4.4Å; L326-I328 HydrophobicContact CG-CG1 4.12Å |
| 329 | S | 93.5 | Very high | 77.7 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.5 | 177 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | Y261 R262 | Y261-S329 CarbonylContact C-O 3.59Å; Y261-S329 VanDerWaalsContact CA-O 3.31Å; Y261-S329 WeakPolarHBondContact CA-O 3.41Å; R262-S329 PolarHBondContact N-O 3.09Å; R262-S329 PolarHBondContact O-N 2.74Å |
| 330 | I | 90.4 | Very high | 77.9 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 34% | 0.344 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 129.2 | 169.9 | -61.7 | 173.8 | 0 | 0 | 0 | 108 | Y203 P259 Y261 I332 | Y203-I330 HydrophobicContact CD1-CG1 4.4Å; Y203-I330 HydrophobicContact CD2-CD1 4Å; Y203-I330 HydrophobicContact CD2-CG1 4.25Å; Y203-I330 HydrophobicContact CE2-CD1 4.09Å; Y203-I330 HydrophobicContact CE2-CG1 4.37Å; Y203-I330 HydrophobicContact CG-CD1 4.49Å; Y203-I330 HydrophobicContact CG-CG1 4.28Å; P259-I330 HydrophobicContact CB-CG2 3.79Å; P259-I330 HydrophobicContact CG-CG2 4.07Å; Y261-I330 HydrophobicContact CD1-CG1 4.2Å; Y261-I330 HydrophobicContact CE1-CG1 4.03Å; I330-I332 HydrophobicContact CG2-CG1 4.39Å; I330-I332 PolarHBondContact O-N 2.73Å |
| 331 | D | 84.1 | Confident | 77.5 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.053 | 34% | 0.344 | C | S | . | . | trans | -87.5 | 91.6 | 179.4 | -160.1 | -19 | 0 | 0 | 0 | 109.5 | R260 R262 D333 I334 | R260-D331 HydrophobicContact CB-CB 4.18Å; R260-D331 WeakPolarHBondContact O-CB 3.31Å; R260-D331 PolarHBondContact O-N 3.17Å; R262-D331 HydrophobicContact CB-CB 4.48Å; R262-D331 IonicContact CZ-OD1 3.36Å; R262-D331 IonicContact CZ-OD2 3.29Å; R262-D331 IonicContact NE-OD2 3.02Å; R262-D331 PolarHBondContact NE-OD2 3.19Å; R262-D331 VanDerWaalsContact NE-OD2 3.12Å; R262-D331 IonicContact NH2-OD1 2.8Å; R262-D331 PolarHBondContact NH2-OD1 3.45Å; R262-D331 IonicContact NH2-OD2 2.78Å; R262-D331 PolarHBondContact NH2-OD2 2.98Å; D331-D333 VanDerWaalsContact C-N 3.26Å; D331-D333 PolarHBondContact O-N 3.09Å; D331-I334 HydrophobicContact CB-CD1 4.5Å | ||
| 332 | I | 71.1 | Confident | 76.8 | Confident | 127 Ų | 127 | 66 Ų | 66 | 65% | 0.651 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -71.8 | -23.4 | -175.7 | -56.7 | 172.3 | 0 | 0 | 0 | 111.2 | I330 I334 D335 | I330-I332 HydrophobicContact CG2-CG1 4.39Å; I330-I332 PolarHBondContact O-N 2.73Å; I332-I334 PolarHBondContact O-N 2.68Å; I332-I334 VanDerWaalsContact O-N 3.14Å; I332-D335 PolarHBondContact O-N 3.31Å |
| 333 | D | 58 | Low | 76 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 72% | 0.717 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -73 | -7.3 | -172.1 | -66.9 | -42.2 | 0 | 0 | 0 | 114.1 | D331 | D331-D333 VanDerWaalsContact C-N 3.26Å; D331-D333 PolarHBondContact O-N 3.09Å |
| 334 | I | 53.3 | Low | 74.9 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 28% | 0.277 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -110 | -7.7 | -176.8 | -46.4 | 170.9 | 0 | 0 | 0 | 113.5 | R260 D331 I332 | R260-I334 HydrophobicContact CB-CD1 4.44Å; D331-I334 HydrophobicContact CB-CD1 4.5Å; I332-I334 PolarHBondContact O-N 2.68Å; I332-I334 VanDerWaalsContact O-N 3.14Å |
| 335 | D | 48.1 | Very low | 73.5 | Confident | 134 Ų | 134 | 78.5 Ų | 78.5 | 72% | 0.717 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 9.5 | -176.4 | -133 | 2.6 | 0 | 0 | 0 | 113.5 | I332 | I332-D335 PolarHBondContact O-N 3.31Š|
| 336 | M | 40.8 | Very low | 71.7 | Confident | 183 Ų | 183 | 76.9 Ų | 76.9 | 90% | 0.901 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 14 | -177.3 | -73.3 | -91.4 | -115.1 | 0 | 0 | 114.1 | ||
| 337 | S | 34.2 | Very low | 69.5 | Low | 163 Ų | 163 | 83.9 Ų | 83.9 | 100% | 1.14 | 47% | 0.469 | S | S | * | . | trans | -124.2 | 0 | 177.5 | 65.9 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 337 of 337 residues in 858.3 ms
(Link to these results)