| 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 | Very low | 31.9 | Very low | 252 Ų | 252 | 142.5 Ų | 142.5 | 100% | 1.241 | 84% | 0.835 | S | S | * | * | 0 | 94.1 | 0 | -80.4 | 175.6 | 172.1 | 0 | 0 | 107.9 | |||||
| 2 | A | 32.3 | Very low | 32.1 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | -133.7 | 105.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 3 | G | 31.4 | Very low | 31.9 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | -84.7 | 115.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | V | 31.9 | Very low | 32.1 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | trans | -77.3 | 121.3 | 165.3 | 177.9 | 0 | 0 | 0 | 0 | 106.3 | E6 | V4-E6 HydrophobicContact CG1-CG 4.26Š| ||
| 5 | F | 29.5 | Very low | 31.9 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | trans | -99.2 | 97.1 | 170.8 | -132.5 | -89.8 | 0 | 0 | 0 | 107 | V7 | F5-V7 HydrophobicContact CD1-CG2 4.5Š| ||
| 6 | E | 29.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -72.8 | 125.8 | 163.7 | -77.1 | 176.3 | 155.9 | 0 | 0 | 107.5 | V4 | V4-E6 HydrophobicContact CG1-CG 4.26Š| ||
| 7 | V | 34.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 73% | 0.733 | 84% | 0.835 | S | S | * | * | trans | -98.5 | 102.5 | 169.7 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | F5 | F5-V7 HydrophobicContact CD1-CG2 4.5Š| ||
| 8 | E | 27.8 | Very low | 32 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | -68.9 | 122 | 170.2 | -147.6 | 163.1 | -166.6 | 0 | 0 | 108.1 | D10 | E8-D10 PolarHBondContact O-N 2.83Š| ||
| 9 | V | 34.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 84% | 0.836 | 84% | 0.836 | S | S | * | * | trans | -96 | 88.7 | 174.8 | -176 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 10 | D | 29.4 | Very low | 32 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 73% | 0.733 | 84% | 0.835 | S | S | * | * | trans | -70.4 | 131.8 | 169.9 | -94.5 | -27.9 | 0 | 0 | 0 | 110.4 | E8 | E8-D10 PolarHBondContact O-N 2.83Š| ||
| 11 | G | 33.8 | Very low | 32.4 | Very low | 71 Ų | 71 | 148.6 Ų | 148.6 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | trans | -67.4 | 149 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 12 | V | 33.7 | Very low | 32.3 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -129.2 | 137 | 165.7 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 13 | E | 29.8 | Very low | 32.6 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -67.8 | 162.6 | -164.8 | -67.2 | 165.4 | 130.8 | 0 | 0 | 115.2 | ||||
| 14 | H | 34.4 | Very low | 33.1 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -59.5 | 128.4 | 163.6 | -86.4 | -102.7 | 0 | 0 | 0 | 111.5 | ||||
| 15 | D | 29.7 | Very low | 33.5 | Very low | 158 Ų | 158 | 150.8 Ų | 150.8 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -140.8 | 144 | 151.9 | -163.9 | 17.1 | 0 | 0 | 0 | 111.5 | ||||
| 16 | H | 35.1 | Very low | 34.3 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -85.2 | 129.4 | -172.5 | -75.7 | -84.6 | 0 | 0 | 0 | 111.7 | ||||
| 17 | G | 28.9 | Very low | 35.7 | Very low | 72 Ų | 72 | 147.3 Ų | 147.3 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 171.9 | 98.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 18 | L | 32.6 | Very low | 36.6 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 97% | 0.969 | 81% | 0.806 | S | S | * | * | trans | 27.9 | 109.9 | 146.2 | -73.7 | 145.8 | 0 | 0 | 0 | 120.3 | ||||
| 19 | G | 34.7 | Very low | 38 | Very low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | 88.2 | 93.4 | 127.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 20 | H | 30.3 | Very low | 39.3 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | -173.1 | 136.2 | 125.5 | -119.8 | -81.9 | 0 | 0 | 0 | 109.7 | D22 | H20-D22 PolarHBondContact O-N 3.32Š| |||
| 21 | H | 40.3 | Very low | 40.8 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -70.5 | 103.3 | 166.7 | -85.5 | -84.9 | 0 | 0 | 0 | 108.3 | ||||
| 22 | D | 34.3 | Very low | 42.2 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -105 | 124.5 | 166.9 | -80.9 | -32.9 | 0 | 0 | 0 | 109.8 | H20 | H20-D22 PolarHBondContact O-N 3.32Š| ||
| 23 | E | 37.4 | Very low | 43.9 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | trans | -55.6 | 149.1 | 169.4 | -72.3 | -177.1 | 119.6 | 0 | 0 | 110.9 | N25 | E23-N25 PolarHBondContact O-N 2.95Š| ||
| 24 | P | 42.2 | Very low | 46 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 112.8 | 179.5 | 26.8 | -31.4 | 0 | 0 | 0 | 110.2 | Q26 | P24-Q26 PolarHBondContact O-N 3.24Š| ||
| 25 | N | 40.6 | Very low | 47.8 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 83% | 0.829 | 71% | 0.712 | S | S | * | * | trans | -21.4 | 102.9 | 168.2 | -94.1 | -28.3 | 0 | 0 | 0 | 113.6 | E23 V27 | E23-N25 PolarHBondContact O-N 2.95Å; N25-V27 PolarHBondContact O-N 3.41Å; N25-V27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | Q | 46 | Very low | 49.8 | Very low | 192 Ų | 192 | 126.8 Ų | 126.8 | 90% | 0.897 | 69% | 0.693 | S | S | * | * | trans | -66.8 | 105.4 | 156.1 | -86.1 | -176.4 | -5.7 | 0 | 0 | 107.5 | P24 D28 | P24-Q26 PolarHBondContact O-N 3.24Å; Q26-D28 PolarHBondContact O-N 3.34Å; Q26-D28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | V | 59.1 | Low | 51.7 | Low | 104 Ų | 104 | 121.9 Ų | 121.9 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | trans | -59 | 113.1 | 171.3 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | N25 L29 | N25-V27 PolarHBondContact O-N 3.41Å; N25-V27 VanDerWaalsContact O-N 3.14Å; V27-L29 PolarHBondContact O-N 3.02Å | ||
| 28 | D | 54 | Low | 53.7 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 60% | 0.599 | 66% | 0.663 | S | S | * | * | trans | -70.8 | 98.6 | 178.4 | -170.2 | -6.7 | 0 | 0 | 0 | 110.2 | Q26 S30 | Q26-D28 PolarHBondContact O-N 3.34Å; Q26-D28 VanDerWaalsContact O-N 3.08Å; D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 PolarHBondContact O-N 3.14Å; D28-S30 WeakPolarHBondContact OD1-CB 3.46Å; D28-S30 PolarHBondContact OD1-N 2.86Å; D28-S30 PolarHBondContact OD1-OG 3.03Å; D28-S30 PolarHBondContact OD2-OG 3.22Å | ||
| 29 | L | 57.6 | Low | 56 | Low | 76 Ų | 76 | 125 Ų | 125 | 40% | 0.398 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | 1.5 | -176.2 | -69.6 | 160.9 | 0 | 0 | 0 | 113.4 | V27 L32 K37 L40 | V27-L29 PolarHBondContact O-N 3.02Å; L29-L32 HydrophobicContact CD2-CD1 4.03Å; L29-K37 WeakPolarHBondContact O-CE 3.26Å; L29-K37 PolarHBondContact O-NZ 3.19Å; L29-L40 HydrophobicContact CD2-CD2 3.62Å |
| 30 | S | 61.3 | Low | 58 | Low | 76 Ų | 76 | 125.3 Ų | 125.3 | 53% | 0.531 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -25.8 | -175.9 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | D28 | D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 PolarHBondContact O-N 3.14Å; D28-S30 WeakPolarHBondContact OD1-CB 3.46Å; D28-S30 PolarHBondContact OD1-N 2.86Å; D28-S30 PolarHBondContact OD1-OG 3.03Å; D28-S30 PolarHBondContact OD2-OG 3.22Å |
| 31 | H | 61.1 | Low | 60.1 | Low | 172 Ų | 172 | 123 Ų | 123 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -96 | -0.5 | -173.1 | -88.5 | -84.4 | 0 | 0 | 0 | 116.2 | ||
| 32 | L | 62.6 | Low | 61.6 | Low | 57 Ų | 57 | 118 Ų | 118 | 30% | 0.298 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -84.9 | 143.1 | -177.3 | -70.4 | 161.5 | 0 | 0 | 0 | 112.4 | L29 E36 K37 L40 | L29-L32 HydrophobicContact CD2-CD1 4.03Å; L32-E36 HydrophobicContact CB-CB 4.25Å; L32-E36 HydrophobicContact CD2-CB 4.01Å; L32-K37 HydrophobicContact CB-CG 3.75Å; L32-K37 WeakPolarHBondContact O-CE 3.33Å; L32-L40 HydrophobicContact CD1-CD2 4.35Å |
| 33 | S | 70.6 | Confident | 63.5 | Low | 50 Ų | 50 | 113.6 Ų | 113.6 | 35% | 0.35 | 58% | 0.581 | S | S | . | * | trans | -63.1 | 154 | 171.3 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | E35 E36 K37 | S33-E35 PolarHBondContact O-N 2.76Å; S33-E35 VanDerWaalsContact O-N 3.13Å; S33-E36 WeakPolarHBondContact CB-OE2 3.45Å; S33-E36 PolarHBondContact N-OE2 3.27Å; S33-E36 PolarHBondContact O-N 3.49Å; S33-E36 VanDerWaalsContact OG-CG 3.28Å; S33-E36 WeakPolarHBondContact OG-CG 3.39Å; S33-E36 PolarHBondContact OG-OE2 2.85Å; S33-K37 PolarHBondContact O-N 2.74Å | ||
| 34 | P | 72.9 | Confident | 65.2 | Low | 111 Ų | 111 | 112.8 Ų | 112.8 | 72% | 0.721 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -55 | -33.6 | -177.7 | -26.2 | 34.2 | 0 | 0 | 0 | 114 | W38 | P34-W38 PolarHBondContact O-N 3.46Å; P34-W38 VanDerWaalsContact O-N 3.13Å |
| 35 | E | 72 | Confident | 66.1 | Low | 130 Ų | 130 | 112 Ų | 112 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.4 | -37.2 | 177.5 | -65.6 | -173.1 | -175.7 | 0 | 0 | 112.7 | S33 W38 R39 | S33-E35 PolarHBondContact O-N 2.76Å; S33-E35 VanDerWaalsContact O-N 3.13Å; E35-W38 PolarHBondContact O-N 2.82Å; E35-R39 VanDerWaalsContact O-CG 3.3Å; E35-R39 WeakPolarHBondContact O-CG 2.98Å; E35-R39 PolarHBondContact O-N 3.46Å; E35-R39 IonicContact OE2-NH2 3.8Å |
| 36 | E | 71.9 | Confident | 67.3 | Low | 95 Ų | 95 | 109.2 Ų | 109.2 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 177.6 | -69.7 | 163.9 | 147.6 | 0 | 0 | 111.4 | L32 S33 W38 R39 L40 | L32-E36 HydrophobicContact CB-CB 4.25Å; L32-E36 HydrophobicContact CD2-CB 4.01Å; S33-E36 WeakPolarHBondContact CB-OE2 3.45Å; S33-E36 PolarHBondContact N-OE2 3.27Å; S33-E36 PolarHBondContact O-N 3.49Å; S33-E36 VanDerWaalsContact OG-CG 3.28Å; S33-E36 WeakPolarHBondContact OG-CG 3.39Å; S33-E36 PolarHBondContact OG-OE2 2.85Å; E36-W38 VanDerWaalsContact C-N 3.34Å; E36-R39 PolarHBondContact O-N 3Å; E36-L40 VanDerWaalsContact O-CB 3.24Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 PolarHBondContact O-N 3.09Å |
| 37 | K | 75.9 | Confident | 68.3 | Low | 76 Ų | 76 | 103.5 Ų | 103.5 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 170.6 | -68.6 | -173.3 | -171.4 | -168.2 | 0 | 111.2 | L29 L32 S33 L40 E41 | L29-K37 WeakPolarHBondContact O-CE 3.26Å; L29-K37 PolarHBondContact O-NZ 3.19Å; L32-K37 HydrophobicContact CB-CG 3.75Å; L32-K37 WeakPolarHBondContact O-CE 3.33Å; S33-K37 PolarHBondContact O-N 2.74Å; K37-L40 PolarHBondContact O-N 3.35Å; K37-E41 WeakPolarHBondContact O-CB 3.09Å; K37-E41 WeakPolarHBondContact O-CG 3.45Å; K37-E41 PolarHBondContact O-N 3.43Å |
| 38 | W | 70.9 | Confident | 68.5 | Low | 163 Ų | 163 | 106 Ų | 106 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 178.9 | -169.2 | 76.8 | 0 | 0 | 0 | 112.2 | P34 E35 E36 E41 H42 | P34-W38 PolarHBondContact O-N 3.46Å; P34-W38 VanDerWaalsContact O-N 3.13Å; E35-W38 PolarHBondContact O-N 2.82Å; E36-W38 VanDerWaalsContact C-N 3.34Å; W38-E41 PolarHBondContact O-N 3.3Å; W38-H42 WeakPolarHBondContact O-CB 3.27Å; W38-H42 PolarHBondContact O-N 3.5Å |
| 39 | R | 80.4 | Confident | 68.7 | Low | 160 Ų | 160 | 104.1 Ų | 104.1 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 174.3 | -72.8 | 177.8 | -165.3 | -178.5 | 9.2 | 112.1 | E35 E36 A43 | E35-R39 VanDerWaalsContact O-CG 3.3Å; E35-R39 WeakPolarHBondContact O-CG 2.98Å; E35-R39 PolarHBondContact O-N 3.46Å; E35-R39 IonicContact OE2-NH2 3.8Å; E36-R39 PolarHBondContact O-N 3Å; R39-A43 WeakPolarHBondContact O-CB 3.25Å; R39-A43 PolarHBondContact O-N 3.11Å |
| 40 | L | 76.1 | Confident | 68.9 | Low | 77 Ų | 77 | 109.2 Ų | 109.2 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 178 | -159.4 | 84.3 | 0 | 0 | 0 | 111.1 | L29 L32 E36 K37 A43 R44 | L29-L40 HydrophobicContact CD2-CD2 3.62Å; L32-L40 HydrophobicContact CD1-CD2 4.35Å; E36-L40 VanDerWaalsContact O-CB 3.24Å; E36-L40 WeakPolarHBondContact O-CB 3.41Å; E36-L40 PolarHBondContact O-N 3.09Å; K37-L40 PolarHBondContact O-N 3.35Å; L40-A43 PolarHBondContact O-N 2.96Å; L40-R44 VanDerWaalsContact O-CB 3.23Å; L40-R44 WeakPolarHBondContact O-CB 3.46Å; L40-R44 PolarHBondContact O-N 2.76Å |
| 41 | E | 75 | Confident | 68.8 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 173.8 | -80.2 | 179.8 | 171.5 | 0 | 0 | 111.9 | K37 W38 R44 M45 | K37-E41 WeakPolarHBondContact O-CB 3.09Å; K37-E41 WeakPolarHBondContact O-CG 3.45Å; K37-E41 PolarHBondContact O-N 3.43Å; W38-E41 PolarHBondContact O-N 3.3Å; E41-R44 CarbonylContact O-C 3.6Å; E41-R44 PolarHBondContact O-N 3.41Å; E41-M45 WeakPolarHBondContact O-CB 3.23Å; E41-M45 VanDerWaalsContact O-CG 3.24Å; E41-M45 WeakPolarHBondContact O-CG 3.4Å; E41-M45 PolarHBondContact O-N 2.95Å |
| 42 | H | 72.6 | Confident | 69 | Low | 92 Ų | 92 | 103.7 Ų | 103.7 | 43% | 0.426 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.3 | -167.3 | -110.2 | 0 | 0 | 0 | 111 | W38 R44 M45 H46 | W38-H42 WeakPolarHBondContact O-CB 3.27Å; W38-H42 PolarHBondContact O-N 3.5Å; H42-R44 VanDerWaalsContact C-N 3.32Å; H42-R44 PolarHBondContact O-N 3.06Å; H42-M45 WeakPolarHBondContact O-CB 3.36Å; H42-M45 PolarHBondContact O-N 2.96Å; H42-H46 AromaticContact CD2-NE2 3.74Å; H42-H46 AromaticContact CE1-CD2 3.4Å; H42-H46 PolarHBondContact CE1-CD2 3.08Å; H42-H46 AromaticContact CE1-NE2 2.95Å; H42-H46 PolarHBondContact CE1-NE2 2.93Å; H42-H46 AromaticContact CG-CD2 3.82Å; H42-H46 AromaticContact CG-NE2 3.93Å; H42-H46 AromaticContact ND1-CD2 3.38Å; H42-H46 PolarHBondContact ND1-CD2 3.01Å; H42-H46 AromaticContact ND1-NE2 3.47Å; H42-H46 PolarHBondContact ND1-NE2 2.7Å; H42-H46 AromaticContact NE2-CD2 3.78Å; H42-H46 AromaticContact NE2-NE2 3.09Å; H42-H46 PolarHBondContact NE2-NE2 3.06Å; H42-H46 PolarHBondContact O-CD2 3.27Å; H42-H46 PolarHBondContact O-N 3.2Å |
| 43 | A | 74.3 | Confident | 69.3 | Low | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R39 L40 H46 A47 | R39-A43 WeakPolarHBondContact O-CB 3.25Å; R39-A43 PolarHBondContact O-N 3.11Å; L40-A43 PolarHBondContact O-N 2.96Å; A43-H46 PolarHBondContact O-N 2.93Å; A43-A47 WeakPolarHBondContact O-CB 3.22Å; A43-A47 PolarHBondContact O-N 2.95Å |
| 44 | R | 72.6 | Confident | 69.5 | Low | 162 Ų | 162 | 107.2 Ų | 107.2 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.6 | -34.8 | 176.8 | -152 | 176.1 | -160.4 | 174.1 | 6.2 | 112.2 | L40 E41 H42 K48 | L40-R44 VanDerWaalsContact O-CB 3.23Å; L40-R44 WeakPolarHBondContact O-CB 3.46Å; L40-R44 PolarHBondContact O-N 2.76Å; E41-R44 CarbonylContact O-C 3.6Å; E41-R44 PolarHBondContact O-N 3.41Å; H42-R44 VanDerWaalsContact C-N 3.32Å; H42-R44 PolarHBondContact O-N 3.06Å; R44-K48 WeakPolarHBondContact O-CB 3.27Å; R44-K48 WeakPolarHBondContact O-CG 3.24Å; R44-K48 PolarHBondContact O-N 3.28Å |
| 45 | M | 61.2 | Low | 69.6 | Low | 109 Ų | 109 | 104.2 Ų | 104.2 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 170.5 | -74.9 | -78.3 | -69.8 | 0 | 0 | 110.9 | E41 H42 A47 K48 H49 | E41-M45 WeakPolarHBondContact O-CB 3.23Å; E41-M45 VanDerWaalsContact O-CG 3.24Å; E41-M45 WeakPolarHBondContact O-CG 3.4Å; E41-M45 PolarHBondContact O-N 2.95Å; H42-M45 WeakPolarHBondContact O-CB 3.36Å; H42-M45 PolarHBondContact O-N 2.96Å; M45-A47 PolarHBondContact O-N 3.02Å; M45-K48 PolarHBondContact O-N 2.95Å; M45-H49 VanDerWaalsContact O-CG 3.31Å; M45-H49 PolarHBondContact O-N 3.48Å; M45-H49 VanDerWaalsContact O-N 3.07Å; M45-H49 PolarHBondContact O-ND1 3.45Å |
| 46 | H | 64.8 | Low | 70 | Confident | 98 Ų | 98 | 102.1 Ų | 102.1 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.5 | -77.7 | -60.3 | 0 | 0 | 0 | 112.6 | H42 A43 K48 H49 K50 | H42-H46 AromaticContact CD2-NE2 3.74Å; H42-H46 AromaticContact CE1-CD2 3.4Å; H42-H46 PolarHBondContact CE1-CD2 3.08Å; H42-H46 AromaticContact CE1-NE2 2.95Å; H42-H46 PolarHBondContact CE1-NE2 2.93Å; H42-H46 AromaticContact CG-CD2 3.82Å; H42-H46 AromaticContact CG-NE2 3.93Å; H42-H46 AromaticContact ND1-CD2 3.38Å; H42-H46 PolarHBondContact ND1-CD2 3.01Å; H42-H46 AromaticContact ND1-NE2 3.47Å; H42-H46 PolarHBondContact ND1-NE2 2.7Å; H42-H46 AromaticContact NE2-CD2 3.78Å; H42-H46 AromaticContact NE2-NE2 3.09Å; H42-H46 PolarHBondContact NE2-NE2 3.06Å; H42-H46 PolarHBondContact O-CD2 3.27Å; H42-H46 PolarHBondContact O-N 3.2Å; A43-H46 PolarHBondContact O-N 2.93Å; H46-K48 PolarHBondContact O-N 3.39Å; H46-H49 PolarHBondContact O-N 3.3Å; H46-H49 VanDerWaalsContact O-N 3.1Å; H46-K50 PolarHBondContact O-N 3.24Å |
| 47 | A | 66.6 | Low | 70.6 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 60% | 0.595 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A43 M45 H49 | A43-A47 WeakPolarHBondContact O-CB 3.22Å; A43-A47 PolarHBondContact O-N 2.95Å; M45-A47 PolarHBondContact O-N 3.02Å; A47-H49 VanDerWaalsContact C-N 3.26Å; A47-H49 PolarHBondContact O-N 2.83Å |
| 48 | K | 63.4 | Low | 71.1 | Confident | 157 Ų | 157 | 101.7 Ų | 101.7 | 68% | 0.683 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -23.8 | 171.1 | -80.8 | -177.9 | 176.8 | -175.9 | 0 | 113 | R44 M45 H46 | R44-K48 WeakPolarHBondContact O-CB 3.27Å; R44-K48 WeakPolarHBondContact O-CG 3.24Å; R44-K48 PolarHBondContact O-N 3.28Å; M45-K48 PolarHBondContact O-N 2.95Å; H46-K48 PolarHBondContact O-N 3.39Å |
| 49 | H | 59.8 | Low | 71.8 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -96.2 | -18.1 | -176.9 | -68.1 | 4.7 | 0 | 0 | 0 | 113.9 | M45 H46 A47 G51 H52 E53 | M45-H49 VanDerWaalsContact O-CG 3.31Å; M45-H49 PolarHBondContact O-N 3.48Å; M45-H49 VanDerWaalsContact O-N 3.07Å; M45-H49 PolarHBondContact O-ND1 3.45Å; H46-H49 PolarHBondContact O-N 3.3Å; H46-H49 VanDerWaalsContact O-N 3.1Å; A47-H49 VanDerWaalsContact C-N 3.26Å; A47-H49 PolarHBondContact O-N 2.83Å; H49-G51 VanDerWaalsContact C-N 3.28Å; H49-G51 PolarHBondContact O-N 2.97Å; H49-G51 VanDerWaalsContact O-N 3.14Å; H49-H52 PolarHBondContact O-N 3.31Å; H49-E53 HydrophobicContact CB-CG 4.4Å; H49-E53 WeakPolarHBondContact O-CG 3.49Å; H49-E53 PolarHBondContact O-N 2.94Å |
| 50 | K | 60.6 | Low | 72.1 | Confident | 184 Ų | 184 | 91.9 Ų | 91.9 | 80% | 0.8 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -26.4 | -174 | -147.5 | 175.1 | -176.9 | -178.7 | 0 | 115.5 | H46 | H46-K50 PolarHBondContact O-N 3.24Š|
| 51 | G | 59.5 | Low | 72.8 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -20.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H49 | H49-G51 VanDerWaalsContact C-N 3.28Å; H49-G51 PolarHBondContact O-N 2.97Å; H49-G51 VanDerWaalsContact O-N 3.14Å |
| 52 | H | 64.9 | Low | 73.6 | Confident | 77 Ų | 77 | 89 Ų | 89 | 36% | 0.356 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -78.8 | -30.4 | -178.2 | -166.5 | -128.5 | 0 | 0 | 0 | 112 | H49 M55 H56 | H49-H52 PolarHBondContact O-N 3.31Å; H52-M55 PolarHBondContact O-N 3.09Å; H52-H56 AromaticContact CD2-NE2 3.93Å; H52-H56 AromaticContact CE1-CD2 3.69Å; H52-H56 AromaticContact CE1-CE1 3.36Å; H52-H56 PolarHBondContact CE1-CE1 3.19Å; H52-H56 AromaticContact CE1-NE2 2.79Å; H52-H56 PolarHBondContact CE1-NE2 3.06Å; H52-H56 AromaticContact CG-CD2 3.99Å; H52-H56 AromaticContact CG-NE2 3.81Å; H52-H56 AromaticContact ND1-CD2 3.52Å; H52-H56 AromaticContact ND1-CE1 3.96Å; H52-H56 AromaticContact ND1-NE2 3.11Å; H52-H56 PolarHBondContact ND1-NE2 3.37Å; H52-H56 VanDerWaalsContact ND1-NE2 3.11Å; H52-H56 AromaticContact NE2-CE1 3.43Å; H52-H56 PolarHBondContact NE2-CE1 3.41Å; H52-H56 AromaticContact NE2-NE2 3.34Å; H52-H56 PolarHBondContact NE2-NE2 3.06Å; H52-H56 WeakPolarHBondContact O-CB 3.49Å; H52-H56 PolarHBondContact O-CD2 3.32Å; H52-H56 VanDerWaalsContact O-CG 3.27Å; H52-H56 PolarHBondContact O-N 3.36Å |
| 53 | E | 69.1 | Low | 74.4 | Confident | 125 Ų | 125 | 87.5 Ų | 87.5 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.1 | -38.5 | 175.8 | -74.9 | -176.4 | 178.9 | 0 | 0 | 112.8 | H49 H56 A57 | H49-E53 HydrophobicContact CB-CG 4.4Å; H49-E53 WeakPolarHBondContact O-CG 3.49Å; H49-E53 PolarHBondContact O-N 2.94Å; E53-H56 PolarHBondContact O-N 3.49Å; E53-A57 VanDerWaalsContact O-CB 3.3Å; E53-A57 WeakPolarHBondContact O-CB 3.08Å; E53-A57 PolarHBondContact O-N 3.44Å |
| 54 | A | 75.2 | Confident | 75.3 | Confident | 55 Ų | 55 | 89.3 Ų | 89.3 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | H56 A57 E58 | A54-H56 PolarHBondContact O-N 2.91Å; A54-A57 PolarHBondContact O-N 3.28Å; A54-E58 WeakPolarHBondContact O-CG 3.26Å; A54-E58 PolarHBondContact O-N 2.91Å |
| 55 | M | 75.3 | Confident | 76.3 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 24% | 0.241 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.3 | -163.9 | 179.7 | 86.4 | 0 | 0 | 112 | H52 E58 M59 L331 | H52-M55 PolarHBondContact O-N 3.09Å; M55-E58 PolarHBondContact O-N 3.47Å; M55-M59 HydrophobicContact CE-CE 3.42Å; M55-M59 VanDerWaalsContact CE-CE 3.42Å; M55-M59 HydrophobicContact CG-CE 3.74Å; M55-M59 WeakPolarHBondContact O-CG 3.23Å; M55-M59 PolarHBondContact O-N 2.56Å; M55-M59 HydrophobicContact SD-CE 4.26Å; M55-L331 HydrophobicContact CG-CD2 4.17Å |
| 56 | H | 80.1 | Confident | 77.9 | Confident | 86 Ų | 86 | 80.6 Ų | 80.6 | 40% | 0.398 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 173.4 | -75.7 | -33.9 | 0 | 0 | 0 | 113.1 | H52 E53 A54 E58 M59 V60 | H52-H56 AromaticContact CD2-NE2 3.93Å; H52-H56 AromaticContact CE1-CD2 3.69Å; H52-H56 AromaticContact CE1-CE1 3.36Å; H52-H56 PolarHBondContact CE1-CE1 3.19Å; H52-H56 AromaticContact CE1-NE2 2.79Å; H52-H56 PolarHBondContact CE1-NE2 3.06Å; H52-H56 AromaticContact CG-CD2 3.99Å; H52-H56 AromaticContact CG-NE2 3.81Å; H52-H56 AromaticContact ND1-CD2 3.52Å; H52-H56 AromaticContact ND1-CE1 3.96Å; H52-H56 AromaticContact ND1-NE2 3.11Å; H52-H56 PolarHBondContact ND1-NE2 3.37Å; H52-H56 VanDerWaalsContact ND1-NE2 3.11Å; H52-H56 AromaticContact NE2-CE1 3.43Å; H52-H56 PolarHBondContact NE2-CE1 3.41Å; H52-H56 AromaticContact NE2-NE2 3.34Å; H52-H56 PolarHBondContact NE2-NE2 3.06Å; H52-H56 WeakPolarHBondContact O-CB 3.49Å; H52-H56 PolarHBondContact O-CD2 3.32Å; H52-H56 VanDerWaalsContact O-CG 3.27Å; H52-H56 PolarHBondContact O-N 3.36Å; E53-H56 PolarHBondContact O-N 3.49Å; A54-H56 PolarHBondContact O-N 2.91Å; H56-E58 VanDerWaalsContact C-N 3.31Å; H56-E58 PolarHBondContact O-N 2.84Å; H56-M59 PolarHBondContact O-N 2.78Å; H56-V60 WeakPolarHBondContact O-CB 3.43Å; H56-V60 VanDerWaalsContact O-CG2 3.27Å; H56-V60 WeakPolarHBondContact O-CG2 3.26Å; H56-V60 PolarHBondContact O-N 2.85Å |
| 57 | A | 84.8 | Confident | 79.2 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E53 A54 V60 L61 | E53-A57 VanDerWaalsContact O-CB 3.3Å; E53-A57 WeakPolarHBondContact O-CB 3.08Å; E53-A57 PolarHBondContact O-N 3.44Å; A54-A57 PolarHBondContact O-N 3.28Å; A57-V60 PolarHBondContact O-N 3.34Å; A57-L61 WeakPolarHBondContact O-CB 3.49Å; A57-L61 PolarHBondContact O-N 3.2Å |
| 58 | E | 85.4 | Confident | 80.4 | Confident | 101 Ų | 101 | 78.9 Ų | 78.9 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 174.9 | -73.3 | 178.4 | -173.6 | 0 | 0 | 112 | A54 M55 H56 V60 L61 I62 L331 | A54-E58 WeakPolarHBondContact O-CG 3.26Å; A54-E58 PolarHBondContact O-N 2.91Å; M55-E58 PolarHBondContact O-N 3.47Å; H56-E58 VanDerWaalsContact C-N 3.31Å; H56-E58 PolarHBondContact O-N 2.84Å; E58-V60 VanDerWaalsContact C-N 3.33Å; E58-V60 PolarHBondContact O-N 3.15Å; E58-L61 PolarHBondContact O-N 3.01Å; E58-I62 VanDerWaalsContact O-CG1 3.27Å; E58-I62 WeakPolarHBondContact O-CG1 3.05Å; E58-I62 PolarHBondContact O-N 3.22Å; E58-L331 VanDerWaalsContact OE2-CD2 3.27Å; E58-L331 WeakPolarHBondContact OE2-CD2 3.28Å |
| 59 | M | 85.9 | Confident | 82 | Confident | 40 Ų | 40 | 76 Ų | 76 | 20% | 0.197 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 175.9 | -71.1 | -172.9 | -133 | 0 | 0 | 112.8 | M55 H56 I62 L63 L331 | M55-M59 HydrophobicContact CE-CE 3.42Å; M55-M59 VanDerWaalsContact CE-CE 3.42Å; M55-M59 HydrophobicContact CG-CE 3.74Å; M55-M59 WeakPolarHBondContact O-CG 3.23Å; M55-M59 PolarHBondContact O-N 2.56Å; M55-M59 HydrophobicContact SD-CE 4.26Å; H56-M59 PolarHBondContact O-N 2.78Å; M59-I62 PolarHBondContact O-N 3.01Å; M59-L63 WeakPolarHBondContact O-CB 3.42Å; M59-L63 PolarHBondContact O-N 3.44Å; M59-L331 WeakPolarHBondContact CE-O 3.36Å; M59-L331 HydrophobicContact CG-CB 4.48Å |
| 60 | V | 87.2 | Confident | 83.6 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 47% | 0.467 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 179 | 171 | 0 | 0 | 0 | 0 | 110.8 | H56 A57 E58 L63 I64 | H56-V60 WeakPolarHBondContact O-CB 3.43Å; H56-V60 VanDerWaalsContact O-CG2 3.27Å; H56-V60 WeakPolarHBondContact O-CG2 3.26Å; H56-V60 PolarHBondContact O-N 2.85Å; A57-V60 PolarHBondContact O-N 3.34Å; E58-V60 VanDerWaalsContact C-N 3.33Å; E58-V60 PolarHBondContact O-N 3.15Å; V60-L63 WeakPolarHBondContact O-CB 3.42Å; V60-L63 PolarHBondContact O-N 3.17Å; V60-I64 HydrophobicContact CG1-CD1 3.84Å; V60-I64 HydrophobicContact CG1-CG1 4.42Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.49Å; V60-I64 PolarHBondContact O-N 2.92Å |
| 61 | L | 90.6 | Very high | 85 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 58% | 0.576 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.1 | -45.8 | 176.1 | -174.8 | 67.1 | 0 | 0 | 0 | 111.1 | A57 E58 L63 I64 V65 | A57-L61 WeakPolarHBondContact O-CB 3.49Å; A57-L61 PolarHBondContact O-N 3.2Å; E58-L61 PolarHBondContact O-N 3.01Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 3.3Å; L61-I64 PolarHBondContact O-N 2.78Å; L61-V65 HydrophobicContact CD1-CG2 4.49Å; L61-V65 WeakPolarHBondContact O-CB 3.49Å; L61-V65 WeakPolarHBondContact O-CG2 3.24Å; L61-V65 PolarHBondContact O-N 3.01Å |
| 62 | I | 90.8 | Very high | 86.7 | Confident | 34 Ų | 34 | 71 Ų | 71 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 175.3 | -68.3 | 165.4 | 0 | 0 | 0 | 110.3 | E58 M59 T66 V322 I325 N326 L329 L331 | E58-I62 VanDerWaalsContact O-CG1 3.27Å; E58-I62 WeakPolarHBondContact O-CG1 3.05Å; E58-I62 PolarHBondContact O-N 3.22Å; M59-I62 PolarHBondContact O-N 3.01Å; I62-T66 WeakPolarHBondContact O-CB 3.01Å; I62-T66 PolarHBondContact O-N 2.99Å; I62-T66 PolarHBondContact O-OG1 3.09Å; I62-V322 HydrophobicContact CG2-CG1 4.37Å; I62-I325 HydrophobicContact CG2-CB 4.5Å; I62-I325 HydrophobicContact CG2-CG2 3.88Å; I62-N326 WeakPolarHBondContact CD1-OD1 3.19Å; I62-L329 HydrophobicContact CD1-CD1 3.7Å; I62-L331 HydrophobicContact CD1-CD1 3.59Å |
| 63 | L | 90.5 | Very high | 88.1 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.7 | -50.2 | 176.7 | 175.3 | 63 | 0 | 0 | 0 | 111.7 | M59 V60 L61 T66 L67 V322 | M59-L63 WeakPolarHBondContact O-CB 3.42Å; M59-L63 PolarHBondContact O-N 3.44Å; V60-L63 WeakPolarHBondContact O-CB 3.42Å; V60-L63 PolarHBondContact O-N 3.17Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 3.3Å; L63-T66 PolarHBondContact O-N 3.11Å; L63-L67 HydrophobicContact CD1-CD1 3.79Å; L63-L67 HydrophobicContact CD1-CG 4.04Å; L63-L67 HydrophobicContact CG-CD1 3.85Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 WeakPolarHBondContact O-CB 3.27Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3Å; L63-V322 HydrophobicContact CB-CG1 4.2Å; L63-V322 HydrophobicContact CD1-CB 4.42Å; L63-V322 HydrophobicContact CD1-CG1 4.22Å; L63-V322 HydrophobicContact CD1-CG2 3.95Å |
| 64 | I | 92.9 | Very high | 89.2 | Confident | 94 Ų | 94 | 66 Ų | 66 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | -178.7 | -68.8 | 167.5 | 0 | 0 | 0 | 110.7 | V60 L61 T66 L67 V68 | V60-I64 HydrophobicContact CG1-CD1 3.84Å; V60-I64 HydrophobicContact CG1-CG1 4.42Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.49Å; V60-I64 PolarHBondContact O-N 2.92Å; L61-I64 PolarHBondContact O-N 2.78Å; I64-T66 VanDerWaalsContact C-N 3.34Å; I64-T66 PolarHBondContact O-N 2.99Å; I64-L67 PolarHBondContact O-N 2.81Å; I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 3.36Å |
| 65 | V | 94.4 | Very high | 89.9 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L61 L67 V68 I69 | L61-V65 HydrophobicContact CD1-CG2 4.49Å; L61-V65 WeakPolarHBondContact O-CB 3.49Å; L61-V65 WeakPolarHBondContact O-CG2 3.24Å; L61-V65 PolarHBondContact O-N 3.01Å; V65-L67 PolarHBondContact O-N 3.41Å; V65-V68 PolarHBondContact O-N 3.26Å; V65-I69 HydrophobicContact CG1-CD1 3.7Å; V65-I69 HydrophobicContact CG1-CG1 4.43Å; V65-I69 VanDerWaalsContact O-CG1 3.32Å; V65-I69 WeakPolarHBondContact O-CG1 3.46Å; V65-I69 PolarHBondContact O-N 2.86Å |
| 66 | T | 93.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 70.3 Ų | 70.3 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 179 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | I62 L63 I64 I69 A70 I318 L321 V322 | I62-T66 WeakPolarHBondContact O-CB 3.01Å; I62-T66 PolarHBondContact O-N 2.99Å; I62-T66 PolarHBondContact O-OG1 3.09Å; L63-T66 PolarHBondContact O-N 3.11Å; I64-T66 VanDerWaalsContact C-N 3.34Å; I64-T66 PolarHBondContact O-N 2.99Å; T66-I69 PolarHBondContact O-N 2.71Å; T66-A70 WeakPolarHBondContact O-CB 3.14Å; T66-A70 PolarHBondContact O-N 2.87Å; T66-I318 HydrophobicContact CG2-CG2 4.25Å; T66-L321 HydrophobicContact CG2-CD2 4.05Å; T66-V322 HydrophobicContact CG2-CG2 3.64Å |
| 67 | L | 92.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.6 | -76.3 | 167.5 | 0 | 0 | 0 | 111.8 | L63 I64 V65 Q71 Y310 I318 | L63-L67 HydrophobicContact CD1-CD1 3.79Å; L63-L67 HydrophobicContact CD1-CG 4.04Å; L63-L67 HydrophobicContact CG-CD1 3.85Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 WeakPolarHBondContact O-CB 3.27Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 3Å; I64-L67 PolarHBondContact O-N 2.81Å; V65-L67 PolarHBondContact O-N 3.41Å; L67-Q71 WeakPolarHBondContact O-CB 3.45Å; L67-Q71 PolarHBondContact O-N 3.19Å; L67-Y310 WeakPolarHBondContact CD2-OH 3.21Å; L67-I318 HydrophobicContact CD2-CD1 4.47Å; L67-I318 HydrophobicContact CD2-CG2 3.73Å; L67-I318 HydrophobicContact CG-CG2 4.32Å |
| 68 | V | 93.8 | Very high | 91.8 | Very high | 83 Ų | 83 | 70.4 Ų | 70.4 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | I64 V65 Q71 L72 | I64-V68 WeakPolarHBondContact O-CG2 3.35Å; I64-V68 PolarHBondContact O-N 3.36Å; V65-V68 PolarHBondContact O-N 3.26Å; V68-Q71 PolarHBondContact O-N 3.09Å; V68-L72 HydrophobicContact CG1-CD1 4.46Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 2.88Å; V68-L72 VanDerWaalsContact O-N 3.07Å |
| 69 | I | 95.2 | Very high | 92 | Very high | 98 Ų | 98 | 73 Ų | 73 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 178.5 | -67.3 | 170.5 | 0 | 0 | 0 | 110.4 | V65 T66 Q71 L72 V73 | V65-I69 HydrophobicContact CG1-CD1 3.7Å; V65-I69 HydrophobicContact CG1-CG1 4.43Å; V65-I69 VanDerWaalsContact O-CG1 3.32Å; V65-I69 WeakPolarHBondContact O-CG1 3.46Å; V65-I69 PolarHBondContact O-N 2.86Å; T66-I69 PolarHBondContact O-N 2.71Å; I69-Q71 VanDerWaalsContact C-N 3.29Å; I69-Q71 PolarHBondContact O-N 3.32Å; I69-L72 PolarHBondContact O-N 3.25Å; I69-V73 HydrophobicContact CG2-CG2 4.39Å; I69-V73 WeakPolarHBondContact O-CG2 3.5Å; I69-V73 PolarHBondContact O-N 3.4Å |
| 70 | A | 93.3 | Very high | 92.4 | Very high | 18 Ų | 18 | 80.7 Ų | 80.7 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T66 L72 V73 L74 I318 | T66-A70 WeakPolarHBondContact O-CB 3.14Å; T66-A70 PolarHBondContact O-N 2.87Å; A70-L72 PolarHBondContact O-N 3.44Å; A70-V73 PolarHBondContact O-N 3.19Å; A70-L74 WeakPolarHBondContact O-CB 3.45Å; A70-L74 VanDerWaalsContact O-CG 3.23Å; A70-L74 WeakPolarHBondContact O-CG 3.39Å; A70-L74 PolarHBondContact O-N 3.39Å; A70-I318 HydrophobicContact CB-CD1 3.76Å; A70-I318 HydrophobicContact CB-CG1 3.91Å; A70-I318 HydrophobicContact CB-CG2 4.4Å |
| 71 | Q | 91.7 | Very high | 92.6 | Very high | 81 Ų | 81 | 82 Ų | 82 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.4 | -169.1 | 64.6 | 14.8 | 0 | 0 | 112.2 | L67 V68 I69 L74 V75 | L67-Q71 WeakPolarHBondContact O-CB 3.45Å; L67-Q71 PolarHBondContact O-N 3.19Å; V68-Q71 PolarHBondContact O-N 3.09Å; I69-Q71 VanDerWaalsContact C-N 3.29Å; I69-Q71 PolarHBondContact O-N 3.32Å; Q71-L74 PolarHBondContact O-N 3.47Å; Q71-V75 WeakPolarHBondContact O-CB 3.29Å; Q71-V75 VanDerWaalsContact O-CG2 3.25Å; Q71-V75 WeakPolarHBondContact O-CG2 3.37Å; Q71-V75 PolarHBondContact O-N 2.93Å |
| 72 | L | 93.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 80 Ų | 80 | 55% | 0.55 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.4 | -68.3 | 174.9 | 0 | 0 | 0 | 111.5 | V68 I69 A70 V75 Q76 | V68-L72 HydrophobicContact CG1-CD1 4.46Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 2.88Å; V68-L72 VanDerWaalsContact O-N 3.07Å; I69-L72 PolarHBondContact O-N 3.25Å; A70-L72 PolarHBondContact O-N 3.44Å; L72-V75 PolarHBondContact O-N 2.98Å; L72-Q76 WeakPolarHBondContact O-CB 3.34Å; L72-Q76 WeakPolarHBondContact O-CG 3.38Å; L72-Q76 PolarHBondContact O-N 3.23Å |
| 73 | V | 93.9 | Very high | 92.1 | Very high | 84 Ų | 84 | 87 Ų | 87 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I69 A70 V75 Q76 W77 | I69-V73 HydrophobicContact CG2-CG2 4.39Å; I69-V73 WeakPolarHBondContact O-CG2 3.5Å; I69-V73 PolarHBondContact O-N 3.4Å; A70-V73 PolarHBondContact O-N 3.19Å; V73-V75 PolarHBondContact O-N 2.85Å; V73-Q76 PolarHBondContact O-N 2.99Å; V73-W77 VanDerWaalsContact O-CB 3.31Å; V73-W77 WeakPolarHBondContact O-CB 3.49Å; V73-W77 PolarHBondContact O-N 3.43Å |
| 74 | L | 92.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 86.8 Ų | 86.8 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 179.8 | -70.6 | 174.8 | 0 | 0 | 0 | 112 | A70 Q71 W77 K78 Y85 Y310 W314 I318 | A70-L74 WeakPolarHBondContact O-CB 3.45Å; A70-L74 VanDerWaalsContact O-CG 3.23Å; A70-L74 WeakPolarHBondContact O-CG 3.39Å; A70-L74 PolarHBondContact O-N 3.39Å; Q71-L74 PolarHBondContact O-N 3.47Å; L74-W77 HydrophobicContact CD2-CE3 4.33Å; L74-W77 PolarHBondContact O-N 2.65Å; L74-K78 WeakPolarHBondContact O-CB 2.88Å; L74-K78 PolarHBondContact O-N 3.38Å; L74-Y85 HydrophobicContact CD2-CE2 4.25Å; L74-Y310 HydrophobicContact CD1-CD2 4.21Å; L74-Y310 HydrophobicContact CD1-CE2 4.13Å; L74-W314 HydrophobicContact CD1-CB 4.09Å; L74-W314 HydrophobicContact CD1-CD2 3.93Å; L74-W314 HydrophobicContact CD1-CE3 4.23Å; L74-W314 HydrophobicContact CD1-CG 3.86Å; L74-W314 HydrophobicContact CD2-CD2 3.56Å; L74-W314 HydrophobicContact CD2-CE3 3.64Å; L74-W314 HydrophobicContact CD2-CG 4.28Å; L74-W314 HydrophobicContact CD2-CH2 3.77Å; L74-W314 HydrophobicContact CD2-CZ2 3.66Å; L74-W314 HydrophobicContact CD2-CZ3 3.74Å; L74-W314 HydrophobicContact CG-CD2 4.42Å; L74-I318 HydrophobicContact CD1-CD1 4.47Å |
| 75 | V | 91.4 | Very high | 92 | Very high | 63 Ų | 63 | 83.3 Ų | 83.3 | 38% | 0.382 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | Q71 L72 V73 W77 K78 Q79 | Q71-V75 WeakPolarHBondContact O-CB 3.29Å; Q71-V75 VanDerWaalsContact O-CG2 3.25Å; Q71-V75 WeakPolarHBondContact O-CG2 3.37Å; Q71-V75 PolarHBondContact O-N 2.93Å; L72-V75 PolarHBondContact O-N 2.98Å; V73-V75 PolarHBondContact O-N 2.85Å; V75-W77 VanDerWaalsContact C-N 3.34Å; V75-W77 PolarHBondContact O-N 3.01Å; V75-K78 PolarHBondContact O-N 3.35Å; V75-Q79 WeakPolarHBondContact O-CG 3.45Å; V75-Q79 PolarHBondContact O-N 3.27Å |
| 76 | Q | 94.3 | Very high | 91.6 | Very high | 132 Ų | 132 | 83.5 Ų | 83.5 | 62% | 0.617 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 177 | -73.7 | -172.1 | 35.9 | 0 | 0 | 112 | L72 V73 Q79 R80 | L72-Q76 WeakPolarHBondContact O-CB 3.34Å; L72-Q76 WeakPolarHBondContact O-CG 3.38Å; L72-Q76 PolarHBondContact O-N 3.23Å; V73-Q76 PolarHBondContact O-N 2.99Å; Q76-Q79 PolarHBondContact O-N 2.68Å; Q76-R80 WeakPolarHBondContact O-CB 3.13Å; Q76-R80 PolarHBondContact O-N 2.99Å |
| 77 | W | 94.4 | Very high | 91.3 | Very high | 68 Ų | 68 | 87.9 Ų | 87.9 | 26% | 0.258 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 177.4 | -175.3 | 13.5 | 0 | 0 | 0 | 111.7 | V73 L74 V75 Q79 R80 H81 S84 Y85 V88 W314 | V73-W77 VanDerWaalsContact O-CB 3.31Å; V73-W77 WeakPolarHBondContact O-CB 3.49Å; V73-W77 PolarHBondContact O-N 3.43Å; L74-W77 HydrophobicContact CD2-CE3 4.33Å; L74-W77 PolarHBondContact O-N 2.65Å; V75-W77 VanDerWaalsContact C-N 3.34Å; V75-W77 PolarHBondContact O-N 3.01Å; W77-Q79 VanDerWaalsContact C-N 3.27Å; W77-Q79 PolarHBondContact O-N 3.34Å; W77-R80 PolarHBondContact O-N 2.9Å; W77-H81 CarbonylContact O-C 3.43Å; W77-H81 PolarHBondContact O-N 3.46Å; W77-S84 WeakPolarHBondContact CZ2-OG 3.27Å; W77-S84 PolarHBondContact NE1-OG 3.04Å; W77-Y85 HydrophobicContact CD2-CD2 4.24Å; W77-Y85 HydrophobicContact CE3-CD2 4.3Å; W77-Y85 HydrophobicContact CG-CD2 4.38Å; W77-V88 HydrophobicContact CH2-CB 3.87Å; W77-V88 HydrophobicContact CH2-CG1 3.84Å; W77-V88 HydrophobicContact CH2-CG2 3.76Å; W77-V88 HydrophobicContact CZ2-CB 4.22Å; W77-V88 HydrophobicContact CZ2-CG2 3.84Å; W77-V88 HydrophobicContact CZ3-CG1 4.47Å; W77-W314 HydrophobicContact CE3-CH2 4.31Å; W77-W314 HydrophobicContact CH2-CH2 4.24Å; W77-W314 AromaticContact CZ3-CH2 3.51Å; W77-W314 HydrophobicContact CZ3-CH2 3.51Å; W77-W314 HydrophobicContact CZ3-CZ2 4Å; W77-W314 HydrophobicContact CZ3-CZ3 4.48Å |
| 78 | K | 89.9 | Confident | 91.2 | Very high | 80 Ų | 80 | 87.5 Ų | 87.5 | 35% | 0.348 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 175.7 | -174.9 | 177.7 | -178.4 | -179.9 | 0 | 112 | L74 V75 P82 Y85 D306 | L74-K78 WeakPolarHBondContact O-CB 2.88Å; L74-K78 PolarHBondContact O-N 3.38Å; V75-K78 PolarHBondContact O-N 3.35Å; K78-P82 WeakPolarHBondContact O-CA 3.41Å; K78-Y85 HydrophobicContact CB-CD1 4.01Å; K78-Y85 HydrophobicContact CB-CD2 4.06Å; K78-Y85 HydrophobicContact CB-CE1 4.24Å; K78-Y85 HydrophobicContact CB-CE2 4.25Å; K78-Y85 HydrophobicContact CB-CG 3.94Å; K78-Y85 HydrophobicContact CD-CD1 4.32Å; K78-Y85 HydrophobicContact CD-CE1 3.92Å; K78-Y85 HydrophobicContact CG-CD1 3.84Å; K78-Y85 HydrophobicContact CG-CE1 3.97Å; K78-Y85 HydrophobicContact CG-CG 4.28Å; K78-D306 IonicContact NZ-OD2 2.7Å; K78-D306 PolarHBondContact NZ-OD2 3.11Å |
| 79 | Q | 91.3 | Very high | 91.1 | Very high | 155 Ų | 155 | 83.6 Ų | 83.6 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -72.3 | -44.5 | 178.4 | -71.2 | 179 | 9.7 | 0 | 0 | 112.8 | V75 Q76 W77 | V75-Q79 WeakPolarHBondContact O-CG 3.45Å; V75-Q79 PolarHBondContact O-N 3.27Å; Q76-Q79 PolarHBondContact O-N 2.68Å; W77-Q79 VanDerWaalsContact C-N 3.27Å; W77-Q79 PolarHBondContact O-N 3.34Å |
| 80 | R | 92.7 | Very high | 90.8 | Very high | 202 Ų | 202 | 79.5 Ų | 79.5 | 76% | 0.762 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -82.8 | -38.5 | -172.6 | -162.7 | 172.5 | -178.7 | 122.9 | -1.8 | 113.2 | Q76 W77 | Q76-R80 WeakPolarHBondContact O-CB 3.13Å; Q76-R80 PolarHBondContact O-N 2.99Å; W77-R80 PolarHBondContact O-N 2.9Å |
| 81 | H | 92.3 | Very high | 90.7 | Very high | 105 Ų | 105 | 84.8 Ų | 84.8 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | trans | -134.9 | 68.3 | -177.7 | -58.3 | -69.8 | 0 | 0 | 0 | 111.8 | W77 K83 S84 Y85 | W77-H81 CarbonylContact O-C 3.43Å; W77-H81 PolarHBondContact O-N 3.46Å; H81-K83 VanDerWaalsContact C-N 3.29Å; H81-K83 PolarHBondContact O-N 2.97Å; H81-S84 PolarHBondContact O-N 3.43Å; H81-S84 VanDerWaalsContact O-N 3.15Å; H81-Y85 PolarHBondContact O-N 2.76Å | ||
| 82 | P | 86.3 | Confident | 90.7 | Very high | 66 Ų | 66 | 82.1 Ų | 82.1 | 43% | 0.429 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -36.4 | -174.8 | 21.9 | -33.7 | 0 | 0 | 0 | 113.4 | K78 N86 | K78-P82 WeakPolarHBondContact O-CA 3.41Å; P82-N86 WeakPolarHBondContact O-CB 3.48Å; P82-N86 PolarHBondContact O-N 2.92Å; P82-N86 PolarHBondContact O-ND2 3.44Å |
| 83 | K | 84.9 | Confident | 90.6 | Very high | 183 Ų | 183 | 77.1 Ų | 77.1 | 80% | 0.796 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 178 | -68.8 | -173.6 | 176.5 | -177.9 | 0 | 112.4 | H81 L87 | H81-K83 VanDerWaalsContact C-N 3.29Å; H81-K83 PolarHBondContact O-N 2.97Å; K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 PolarHBondContact O-N 3.48Å |
| 84 | S | 90.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 76.7 Ų | 76.7 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68 | -45.7 | 179.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | W77 H81 N86 L87 V88 | W77-S84 WeakPolarHBondContact CZ2-OG 3.27Å; W77-S84 PolarHBondContact NE1-OG 3.04Å; H81-S84 PolarHBondContact O-N 3.43Å; H81-S84 VanDerWaalsContact O-N 3.15Å; S84-N86 PolarHBondContact O-N 3.26Å; S84-L87 PolarHBondContact O-N 2.9Å; S84-V88 WeakPolarHBondContact O-CG2 3.39Å; S84-V88 PolarHBondContact O-N 3.02Å |
| 85 | Y | 89.9 | Confident | 90.3 | Very high | 21 Ų | 21 | 79.2 Ų | 79.2 | 8% | 0.082 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.4 | -47.9 | 175.3 | 174 | -91.4 | 0 | 0 | 0 | 112.2 | L74 W77 K78 H81 L87 V88 T89 W314 | L74-Y85 HydrophobicContact CD2-CE2 4.25Å; W77-Y85 HydrophobicContact CD2-CD2 4.24Å; W77-Y85 HydrophobicContact CE3-CD2 4.3Å; W77-Y85 HydrophobicContact CG-CD2 4.38Å; K78-Y85 HydrophobicContact CB-CD1 4.01Å; K78-Y85 HydrophobicContact CB-CD2 4.06Å; K78-Y85 HydrophobicContact CB-CE1 4.24Å; K78-Y85 HydrophobicContact CB-CE2 4.25Å; K78-Y85 HydrophobicContact CB-CG 3.94Å; K78-Y85 HydrophobicContact CD-CD1 4.32Å; K78-Y85 HydrophobicContact CD-CE1 3.92Å; K78-Y85 HydrophobicContact CG-CD1 3.84Å; K78-Y85 HydrophobicContact CG-CE1 3.97Å; K78-Y85 HydrophobicContact CG-CG 4.28Å; H81-Y85 PolarHBondContact O-N 2.76Å; Y85-L87 PolarHBondContact O-N 3.47Å; Y85-V88 PolarHBondContact O-N 2.94Å; Y85-T89 VanDerWaalsContact O-CB 3.28Å; Y85-T89 WeakPolarHBondContact O-CB 3.44Å; Y85-T89 PolarHBondContact O-N 3.09Å; Y85-T89 PolarHBondContact O-OG1 3.33Å; Y85-W314 HydrophobicContact CE2-CZ2 4.45Å |
| 86 | N | 85.7 | Confident | 90.3 | Very high | 74 Ų | 74 | 77.1 Ų | 77.1 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 179.6 | -73.2 | -10.7 | 0 | 0 | 0 | 111.8 | P82 S84 L90 | P82-N86 WeakPolarHBondContact O-CB 3.48Å; P82-N86 PolarHBondContact O-N 2.92Å; P82-N86 PolarHBondContact O-ND2 3.44Å; S84-N86 PolarHBondContact O-N 3.26Å; N86-L90 VanDerWaalsContact O-CB 3.26Å; N86-L90 WeakPolarHBondContact O-CB 3.47Å; N86-L90 PolarHBondContact O-N 3.08Å |
| 87 | L | 87.4 | Confident | 90.1 | Very high | 109 Ų | 109 | 71.3 Ų | 71.3 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.3 | -47 | 178.2 | -174.9 | 71 | 0 | 0 | 0 | 111.8 | K83 S84 Y85 L90 F91 | K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 PolarHBondContact O-N 3.48Å; S84-L87 PolarHBondContact O-N 2.9Å; Y85-L87 PolarHBondContact O-N 3.47Å; L87-L90 PolarHBondContact O-N 2.96Å; L87-F91 WeakPolarHBondContact O-CB 3.16Å; L87-F91 PolarHBondContact O-N 3.43Å |
| 88 | V | 91.5 | Very high | 89.9 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 179 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | W77 S84 Y85 L90 F91 Q92 W314 | W77-V88 HydrophobicContact CH2-CB 3.87Å; W77-V88 HydrophobicContact CH2-CG1 3.84Å; W77-V88 HydrophobicContact CH2-CG2 3.76Å; W77-V88 HydrophobicContact CZ2-CB 4.22Å; W77-V88 HydrophobicContact CZ2-CG2 3.84Å; W77-V88 HydrophobicContact CZ3-CG1 4.47Å; S84-V88 WeakPolarHBondContact O-CG2 3.39Å; S84-V88 PolarHBondContact O-N 3.02Å; Y85-V88 PolarHBondContact O-N 2.94Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.46Å; V88-F91 PolarHBondContact O-N 2.67Å; V88-Q92 HydrophobicContact CG1-CG 4.37Å; V88-Q92 WeakPolarHBondContact O-CG 3.26Å; V88-Q92 PolarHBondContact O-N 3.07Å; V88-W314 HydrophobicContact CG1-CH2 3.9Å; V88-W314 HydrophobicContact CG1-CZ2 4.07Å |
| 89 | T | 91.3 | Very high | 90 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 111 | Y85 Q92 M93 R309 A313 W314 | Y85-T89 VanDerWaalsContact O-CB 3.28Å; Y85-T89 WeakPolarHBondContact O-CB 3.44Å; Y85-T89 PolarHBondContact O-N 3.09Å; Y85-T89 PolarHBondContact O-OG1 3.33Å; T89-Q92 PolarHBondContact O-N 3.48Å; T89-M93 HydrophobicContact CG2-CG 4.34Å; T89-M93 WeakPolarHBondContact O-CB 3.33Å; T89-M93 WeakPolarHBondContact O-CG 3.3Å; T89-M93 PolarHBondContact O-N 3.47Å; T89-R309 HydrophobicContact CG2-CB 3.85Å; T89-R309 HydrophobicContact CG2-CG 4.05Å; T89-A313 HydrophobicContact CG2-CB 4.43Å; T89-W314 PolarHBondContact OG1-NE1 2.89Å |
| 90 | L | 88.9 | Confident | 89.9 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.3 | -178 | 65.4 | 0 | 0 | 0 | 111.7 | N86 L87 V88 M93 W94 L197 D200 F201 M204 | N86-L90 VanDerWaalsContact O-CB 3.26Å; N86-L90 WeakPolarHBondContact O-CB 3.47Å; N86-L90 PolarHBondContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 2.96Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.46Å; L90-M93 PolarHBondContact O-N 3.04Å; L90-W94 PolarHBondContact O-N 2.94Å; L90-L197 HydrophobicContact CD1-CD2 3.83Å; L90-D200 HydrophobicContact CD1-CB 3.97Å; L90-F201 HydrophobicContact CD1-CD2 4.19Å; L90-F201 HydrophobicContact CD1-CE2 3.93Å; L90-F201 HydrophobicContact CD1-CZ 4.43Å; L90-F201 HydrophobicContact CD2-CE1 4.43Å; L90-F201 HydrophobicContact CD2-CZ 4.34Å; L90-M204 HydrophobicContact CD2-CE 3.27Å |
| 91 | F | 91.5 | Very high | 89.7 | Confident | 129 Ų | 129 | 60.6 Ų | 60.6 | 57% | 0.566 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | 176 | 177.9 | -101.6 | 0 | 0 | 0 | 111.7 | L87 V88 W94 V95 | L87-F91 WeakPolarHBondContact O-CB 3.16Å; L87-F91 PolarHBondContact O-N 3.43Å; V88-F91 PolarHBondContact O-N 2.67Å; F91-W94 WeakPolarHBondContact O-CB 3.44Å; F91-W94 PolarHBondContact O-N 2.96Å; F91-W94 VanDerWaalsContact O-N 3.09Å; F91-V95 HydrophobicContact CD1-CG2 4.3Å; F91-V95 HydrophobicContact CD2-CG2 4.19Å; F91-V95 HydrophobicContact CE1-CG2 3.88Å; F91-V95 HydrophobicContact CE2-CG2 3.75Å; F91-V95 HydrophobicContact CG-CG2 4.46Å; F91-V95 HydrophobicContact CZ-CG2 3.59Å; F91-V95 WeakPolarHBondContact O-CG2 3.31Å; F91-V95 PolarHBondContact O-N 3.37Å |
| 92 | Q | 91.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.6 | -73.5 | 176.6 | -8.4 | 0 | 0 | 112.3 | V88 T89 W94 V95 V96 A313 | V88-Q92 HydrophobicContact CG1-CG 4.37Å; V88-Q92 WeakPolarHBondContact O-CG 3.26Å; V88-Q92 PolarHBondContact O-N 3.07Å; T89-Q92 PolarHBondContact O-N 3.48Å; Q92-W94 PolarHBondContact O-N 3.39Å; Q92-W94 VanDerWaalsContact O-N 3.08Å; Q92-V95 PolarHBondContact O-N 3.48Å; Q92-V96 HydrophobicContact CB-CG2 4.32Å; Q92-V96 VanDerWaalsContact O-CB 3.28Å; Q92-V96 WeakPolarHBondContact O-CB 3.44Å; Q92-V96 WeakPolarHBondContact O-CG2 3.28Å; Q92-V96 PolarHBondContact O-N 3.42Å; Q92-A313 HydrophobicContact CB-CB 3.82Å |
| 93 | M | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.9 | -22.2 | 174.3 | -76.7 | -71.3 | -64.3 | 0 | 0 | 112.8 | T89 L90 P97 Y193 V196 L197 R309 V312 A313 | T89-M93 HydrophobicContact CG2-CG 4.34Å; T89-M93 WeakPolarHBondContact O-CB 3.33Å; T89-M93 WeakPolarHBondContact O-CG 3.3Å; T89-M93 PolarHBondContact O-N 3.47Å; L90-M93 PolarHBondContact O-N 3.04Å; M93-P97 VanDerWaalsContact O-CD 3.3Å; M93-P97 WeakPolarHBondContact O-CD 3.46Å; M93-P97 WeakPolarHBondContact O-CG 3.46Å; M93-Y193 HydrophobicContact CE-CD2 3.85Å; M93-Y193 HydrophobicContact CE-CE2 3.92Å; M93-Y193 WeakPolarHBondContact O-CE2 3.28Å; M93-Y193 PolarHBondContact O-OH 3.25Å; M93-V196 HydrophobicContact CE-CB 4.11Å; M93-V196 HydrophobicContact CE-CG1 3.81Å; M93-L197 HydrophobicContact CB-CD2 3.87Å; M93-R309 HydrophobicContact CG-CG 4.44Å; M93-R309 HydrophobicContact SD-CG 4.28Å; M93-V312 HydrophobicContact CE-CG1 4.41Å; M93-V312 HydrophobicContact SD-CB 3.91Å; M93-V312 HydrophobicContact SD-CG1 3.95Å; M93-A313 HydrophobicContact CG-CB 3.87Å; M93-A313 HydrophobicContact SD-CB 3.87Å |
| 94 | W | 89.6 | Confident | 90.1 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -90 | -46 | 177.1 | -146 | -0.1 | 0 | 0 | 0 | 112.2 | L90 F91 Q92 W113 S117 F201 | L90-W94 PolarHBondContact O-N 2.94Å; F91-W94 WeakPolarHBondContact O-CB 3.44Å; F91-W94 PolarHBondContact O-N 2.96Å; F91-W94 VanDerWaalsContact O-N 3.09Å; Q92-W94 PolarHBondContact O-N 3.39Å; Q92-W94 VanDerWaalsContact O-N 3.08Å; W94-W113 AromaticContact CD1-CE2 3.34Å; W94-W113 AromaticContact CD1-CZ2 3.04Å; W94-W113 AromaticContact CD1-NE1 3.35Å; W94-W113 VanDerWaalsContact CD1-NE1 3.35Å; W94-W113 HydrophobicContact CG-CZ2 4.07Å; W94-W113 AromaticContact NE1-CE2 3.4Å; W94-W113 AromaticContact NE1-CH2 3.7Å; W94-W113 AromaticContact NE1-CZ2 3.04Å; W94-W113 AromaticContact NE1-NE1 3.75Å; W94-S117 PolarHBondContact NE1-OG 2.94Å; W94-F201 HydrophobicContact CE3-CZ 4.22Å; W94-F201 HydrophobicContact CH2-CZ 4.15Å; W94-F201 AromaticContact CZ3-CZ 3.91Å; W94-F201 HydrophobicContact CZ3-CZ 3.91Å |
| 95 | V | 91.3 | Very high | 90.1 | Very high | 66 Ų | 66 | 63.2 Ų | 63.2 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -79.3 | -44.2 | -174.5 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | F91 Q92 L98 Y99 | F91-V95 HydrophobicContact CD1-CG2 4.3Å; F91-V95 HydrophobicContact CD2-CG2 4.19Å; F91-V95 HydrophobicContact CE1-CG2 3.88Å; F91-V95 HydrophobicContact CE2-CG2 3.75Å; F91-V95 HydrophobicContact CG-CG2 4.46Å; F91-V95 HydrophobicContact CZ-CG2 3.59Å; F91-V95 WeakPolarHBondContact O-CG2 3.31Å; F91-V95 PolarHBondContact O-N 3.37Å; Q92-V95 PolarHBondContact O-N 3.48Å; V95-L98 WeakPolarHBondContact O-CB 3.36Å; V95-L98 PolarHBondContact O-N 2.95Å; V95-Y99 PolarHBondContact O-N 3.11Å |
| 96 | V | 91.7 | Very high | 90.1 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -51.1 | -172.6 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | Q92 L98 Y99 F100 V312 P316 | Q92-V96 HydrophobicContact CB-CG2 4.32Å; Q92-V96 VanDerWaalsContact O-CB 3.28Å; Q92-V96 WeakPolarHBondContact O-CB 3.44Å; Q92-V96 WeakPolarHBondContact O-CG2 3.28Å; Q92-V96 PolarHBondContact O-N 3.42Å; V96-L98 VanDerWaalsContact C-N 3.29Å; V96-L98 PolarHBondContact O-N 3.05Å; V96-Y99 PolarHBondContact O-N 3.09Å; V96-F100 HydrophobicContact CG1-CD2 3.79Å; V96-F100 HydrophobicContact CG1-CE2 3.67Å; V96-F100 VanDerWaalsContact O-CD2 3.28Å; V96-F100 WeakPolarHBondContact O-CD2 3.27Å; V96-F100 PolarHBondContact O-N 3.42Å; V96-F100 VanDerWaalsContact O-N 3.16Å; V96-V312 WeakPolarHBondContact CG1-O 3.45Å; V96-P316 HydrophobicContact CG1-CB 3.99Å; V96-P316 HydrophobicContact CG1-CG 3.88Å |
| 97 | P | 89.4 | Confident | 90.3 | Very high | 10 Ų | 10 | 71.2 Ų | 71.2 | 7% | 0.065 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 175.7 | -25.8 | 38 | 0 | 0 | 0 | 112.9 | M93 F100 T101 F109 Y193 V312 | M93-P97 VanDerWaalsContact O-CD 3.3Å; M93-P97 WeakPolarHBondContact O-CD 3.46Å; M93-P97 WeakPolarHBondContact O-CG 3.46Å; P97-F100 PolarHBondContact O-N 3.42Å; P97-T101 VanDerWaalsContact O-CB 3.28Å; P97-T101 WeakPolarHBondContact O-CB 3.37Å; P97-T101 WeakPolarHBondContact O-CG2 3.45Å; P97-T101 PolarHBondContact O-N 3.47Å; P97-T101 PolarHBondContact O-OG1 2.97Å; P97-F109 HydrophobicContact CB-CE1 4.11Å; P97-F109 HydrophobicContact CB-CZ 3.88Å; P97-Y193 HydrophobicContact CB-CE2 4.34Å; P97-Y193 HydrophobicContact CG-CE2 3.73Å; P97-V312 HydrophobicContact CG-CG1 3.7Å |
| 98 | L | 90.2 | Very high | 90.4 | Very high | 54 Ų | 54 | 75.6 Ų | 75.6 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.8 | -173.3 | 70.6 | 0 | 0 | 0 | 111.5 | V95 V96 T101 T102 L110 W113 | V95-L98 WeakPolarHBondContact O-CB 3.36Å; V95-L98 PolarHBondContact O-N 2.95Å; V96-L98 VanDerWaalsContact C-N 3.29Å; V96-L98 PolarHBondContact O-N 3.05Å; L98-T101 PolarHBondContact O-OG1 2.9Å; L98-T102 HydrophobicContact CD1-CG2 4.38Å; L98-T102 WeakPolarHBondContact O-CB 3.29Å; L98-T102 VanDerWaalsContact O-CG2 3.25Å; L98-T102 WeakPolarHBondContact O-CG2 3.33Å; L98-T102 PolarHBondContact O-N 2.83Å; L98-T102 PolarHBondContact O-OG1 2.68Å; L98-L110 HydrophobicContact CD1-CD2 3.71Å; L98-W113 HydrophobicContact CB-CZ2 4.18Å; L98-W113 HydrophobicContact CD1-CD2 4.12Å; L98-W113 HydrophobicContact CD1-CE3 3.95Å; L98-W113 HydrophobicContact CD1-CH2 3.92Å; L98-W113 HydrophobicContact CD1-CZ2 3.99Å; L98-W113 HydrophobicContact CD1-CZ3 3.89Å; L98-W113 HydrophobicContact CD2-CH2 3.69Å; L98-W113 HydrophobicContact CD2-CZ2 3.88Å; L98-W113 HydrophobicContact CD2-CZ3 4.34Å; L98-W113 HydrophobicContact CG-CH2 4.32Å; L98-W113 HydrophobicContact CG-CZ2 4.24Å |
| 99 | Y | 91.4 | Very high | 90.4 | Very high | 127 Ų | 127 | 73.5 Ų | 73.5 | 50% | 0.498 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 176.8 | 174.1 | -99.8 | 0 | 0 | 0 | 112 | V95 V96 T102 K103 | V95-Y99 PolarHBondContact O-N 3.11Å; V96-Y99 PolarHBondContact O-N 3.09Å; Y99-T102 PolarHBondContact O-OG1 3.45Å; Y99-K103 HydrophobicContact CE2-CG 4.36Å; Y99-K103 WeakPolarHBondContact O-CG 3.37Å; Y99-K103 PolarHBondContact O-N 3.33Å |
| 100 | F | 89.3 | Confident | 90.5 | Very high | 91 Ų | 91 | 74.7 Ų | 74.7 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | -179.5 | -75.8 | -69.4 | 0 | 0 | 0 | 112.6 | V96 P97 T102 K103 L104 P316 | V96-F100 HydrophobicContact CG1-CD2 3.79Å; V96-F100 HydrophobicContact CG1-CE2 3.67Å; V96-F100 VanDerWaalsContact O-CD2 3.28Å; V96-F100 WeakPolarHBondContact O-CD2 3.27Å; V96-F100 PolarHBondContact O-N 3.42Å; V96-F100 VanDerWaalsContact O-N 3.16Å; P97-F100 PolarHBondContact O-N 3.42Å; F100-T102 PolarHBondContact O-N 2.93Å; F100-K103 PolarHBondContact O-N 3.07Å; F100-L104 WeakPolarHBondContact O-CB 3.31Å; F100-L104 VanDerWaalsContact O-CG 3.27Å; F100-L104 WeakPolarHBondContact O-CG 3.34Å; F100-L104 PolarHBondContact O-N 2.84Å; F100-P316 HydrophobicContact CE2-CB 3.65Å; F100-P316 HydrophobicContact CE2-CG 4.13Å; F100-P316 HydrophobicContact CZ-CB 3.99Å |
| 101 | T | 89.3 | Confident | 90.7 | Very high | 8 Ų | 8 | 78.2 Ų | 78.2 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72 | -29 | -176.5 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | P97 L98 H105 W106 F109 L110 | P97-T101 VanDerWaalsContact O-CB 3.28Å; P97-T101 WeakPolarHBondContact O-CB 3.37Å; P97-T101 WeakPolarHBondContact O-CG2 3.45Å; P97-T101 PolarHBondContact O-N 3.47Å; P97-T101 PolarHBondContact O-OG1 2.97Å; L98-T101 PolarHBondContact O-OG1 2.9Å; T101-H105 PolarHBondContact O-N 3.32Å; T101-W106 HydrophobicContact CG2-CB 4.47Å; T101-W106 HydrophobicContact CG2-CE3 4Å; T101-W106 PolarHBondContact O-N 3.37Å; T101-F109 HydrophobicContact CG2-CB 4.25Å; T101-F109 HydrophobicContact CG2-CD1 3.53Å; T101-F109 HydrophobicContact CG2-CE1 3.97Å; T101-F109 HydrophobicContact CG2-CG 3.88Å; T101-F109 WeakPolarHBondContact OG1-CD1 3.38Å; T101-L110 WeakPolarHBondContact OG1-CD2 3.36Å |
| 102 | T | 90.9 | Very high | 90.8 | Very high | 63 Ų | 63 | 74.9 Ų | 74.9 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 170.1 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | L98 Y99 F100 H105 L110 | L98-T102 HydrophobicContact CD1-CG2 4.38Å; L98-T102 WeakPolarHBondContact O-CB 3.29Å; L98-T102 VanDerWaalsContact O-CG2 3.25Å; L98-T102 WeakPolarHBondContact O-CG2 3.33Å; L98-T102 PolarHBondContact O-N 2.83Å; L98-T102 PolarHBondContact O-OG1 2.68Å; Y99-T102 PolarHBondContact O-OG1 3.45Å; F100-T102 PolarHBondContact O-N 2.93Å; T102-H105 PolarHBondContact O-N 3.49Å; T102-L110 HydrophobicContact CG2-CD1 4.13Å; T102-L110 HydrophobicContact CG2-CD2 3.75Å |
| 103 | K | 90.6 | Very high | 90.9 | Very high | 138 Ų | 138 | 75.2 Ų | 75.2 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.1 | -37.5 | 175.2 | -72.6 | -71.7 | -174.2 | 176.1 | 0 | 113.1 | Y99 F100 H105 | Y99-K103 HydrophobicContact CE2-CG 4.36Å; Y99-K103 WeakPolarHBondContact O-CG 3.37Å; Y99-K103 PolarHBondContact O-N 3.33Å; F100-K103 PolarHBondContact O-N 3.07Å; K103-H105 VanDerWaalsContact C-N 3.3Å |
| 104 | L | 89.8 | Confident | 91.1 | Very high | 131 Ų | 131 | 81.4 Ų | 81.4 | 69% | 0.686 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.2 | 179 | -63.6 | 172.8 | 0 | 0 | 0 | 113.4 | F100 W106 | F100-L104 WeakPolarHBondContact O-CB 3.31Å; F100-L104 VanDerWaalsContact O-CG 3.27Å; F100-L104 WeakPolarHBondContact O-CG 3.34Å; F100-L104 PolarHBondContact O-N 2.84Å; L104-W106 PolarHBondContact O-N 3.38Å |
| 105 | H | 89.8 | Confident | 91.3 | Very high | 130 Ų | 130 | 82.6 Ų | 82.6 | 60% | 0.602 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.7 | -178.2 | -63.8 | -67.6 | 0 | 0 | 0 | 114.6 | T101 T102 K103 W107 | T101-H105 PolarHBondContact O-N 3.32Å; T102-H105 PolarHBondContact O-N 3.49Å; K103-H105 VanDerWaalsContact C-N 3.3Å; H105-W107 VanDerWaalsContact C-N 3.33Å; H105-W107 PolarHBondContact O-N 3.06Å |
| 106 | W | 90.3 | Very high | 91.4 | Very high | 89 Ų | 89 | 80 Ų | 80 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | trans | -83.9 | 74.2 | -177.6 | -162 | 6.4 | 0 | 0 | 0 | 112 | T101 L104 R108 F109 L110 | T101-W106 HydrophobicContact CG2-CB 4.47Å; T101-W106 HydrophobicContact CG2-CE3 4Å; T101-W106 PolarHBondContact O-N 3.37Å; L104-W106 PolarHBondContact O-N 3.38Å; W106-R108 VanDerWaalsContact C-N 3.3Å; W106-R108 PolarHBondContact O-N 3.44Å; W106-F109 HydrophobicContact CD2-CB 4.16Å; W106-F109 HydrophobicContact CE3-CB 4.49Å; W106-F109 HydrophobicContact CG-CB 4.2Å; W106-F109 PolarHBondContact O-N 3.48Å; W106-F109 VanDerWaalsContact O-N 3.15Å; W106-L110 PolarHBondContact O-N 3.49Å | ||
| 107 | W | 90.1 | Very high | 91.6 | Very high | 175 Ų | 175 | 79.6 Ų | 79.6 | 66% | 0.663 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.6 | -34.9 | -172.2 | -66.2 | 108.8 | 0 | 0 | 0 | 115.1 | H105 F109 L110 V111 | H105-W107 VanDerWaalsContact C-N 3.33Å; H105-W107 PolarHBondContact O-N 3.06Å; W107-F109 VanDerWaalsContact C-N 3.33Å; W107-F109 PolarHBondContact O-N 3.3Å; W107-L110 HydrophobicContact CD2-CD1 4.49Å; W107-L110 HydrophobicContact CE3-CD1 3.84Å; W107-L110 HydrophobicContact CZ3-CD1 4.05Å; W107-L110 PolarHBondContact O-N 3.42Å; W107-V111 WeakPolarHBondContact O-CG2 3.2Å; W107-V111 PolarHBondContact O-N 3.35Å |
| 108 | R | 90.4 | Very high | 91.8 | Very high | 200 Ų | 200 | 82.8 Ų | 82.8 | 76% | 0.755 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.3 | -43.7 | 178.7 | -62 | -179.5 | -174.7 | 162.8 | 1.9 | 111.6 | W106 T112 | W106-R108 VanDerWaalsContact C-N 3.3Å; W106-R108 PolarHBondContact O-N 3.44Å; R108-T112 WeakPolarHBondContact O-CG2 3.43Å; R108-T112 PolarHBondContact O-N 3.43Å; R108-T112 PolarHBondContact O-OG1 3.26Å |
| 109 | F | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 176.6 | -179.2 | -89.1 | 0 | 0 | 0 | 110.4 | P97 T101 W106 W107 V111 T112 W113 F189 Y190 Y193 | P97-F109 HydrophobicContact CB-CE1 4.11Å; P97-F109 HydrophobicContact CB-CZ 3.88Å; T101-F109 HydrophobicContact CG2-CB 4.25Å; T101-F109 HydrophobicContact CG2-CD1 3.53Å; T101-F109 HydrophobicContact CG2-CE1 3.97Å; T101-F109 HydrophobicContact CG2-CG 3.88Å; T101-F109 WeakPolarHBondContact OG1-CD1 3.38Å; W106-F109 HydrophobicContact CD2-CB 4.16Å; W106-F109 HydrophobicContact CE3-CB 4.49Å; W106-F109 HydrophobicContact CG-CB 4.2Å; W106-F109 PolarHBondContact O-N 3.48Å; W106-F109 VanDerWaalsContact O-N 3.15Å; W107-F109 VanDerWaalsContact C-N 3.33Å; W107-F109 PolarHBondContact O-N 3.3Å; F109-V111 VanDerWaalsContact C-N 3.32Å; F109-V111 PolarHBondContact O-N 3.05Å; F109-T112 PolarHBondContact O-N 3.35Å; F109-T112 PolarHBondContact O-OG1 2.84Å; F109-W113 HydrophobicContact CD1-CB 4.15Å; F109-W113 HydrophobicContact CE1-CB 3.92Å; F109-W113 AromaticContact CE1-CD1 3.59Å; F109-W113 AromaticContact CE1-CG 3.94Å; F109-W113 HydrophobicContact CE1-CG 3.94Å; F109-W113 HydrophobicContact CZ-CB 4.39Å; F109-W113 AromaticContact CZ-CD1 3.74Å; F109-W113 HydrophobicContact CZ-CG 4.39Å; F109-W113 WeakPolarHBondContact O-CB 3.48Å; F109-W113 PolarHBondContact O-N 2.98Å; F109-F189 AromaticContact CD2-CE1 3.84Å; F109-F189 HydrophobicContact CD2-CE1 3.84Å; F109-F189 AromaticContact CE2-CE1 3.55Å; F109-F189 HydrophobicContact CE2-CE1 3.55Å; F109-F189 HydrophobicContact CE2-CZ 4.09Å; F109-Y190 WeakPolarHBondContact CA-OH 3.39Å; F109-Y190 HydrophobicContact CB-CE1 4.38Å; F109-Y190 HydrophobicContact CD2-CD1 4.3Å; F109-Y190 AromaticContact CD2-CE1 3.56Å; F109-Y190 HydrophobicContact CD2-CE1 3.56Å; F109-Y190 HydrophobicContact CE2-CE1 4.32Å; F109-Y190 HydrophobicContact CG-CE1 4.39Å; F109-Y190 PolarHBondContact N-OH 2.91Å; F109-Y193 AromaticContact CE2-CD1 3.86Å; F109-Y193 HydrophobicContact CE2-CD1 3.86Å; F109-Y193 AromaticContact CE2-CE1 3.75Å; F109-Y193 HydrophobicContact CE2-CE1 3.75Å; F109-Y193 HydrophobicContact CZ-CD1 4.07Å; F109-Y193 AromaticContact CZ-CE1 3.47Å; F109-Y193 HydrophobicContact CZ-CE1 3.47Å; F109-Y193 VanDerWaalsContact CZ-CE1 3.47Å; F109-Y193 AromaticContact CZ-CZ 3.87Å |
| 110 | L | 92.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 76.4 Ų | 76.4 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.1 | -42.8 | -178.9 | -64.5 | 175.8 | 0 | 0 | 0 | 112.9 | L98 T101 T102 W106 W107 F114 | L98-L110 HydrophobicContact CD1-CD2 3.71Å; T101-L110 WeakPolarHBondContact OG1-CD2 3.36Å; T102-L110 HydrophobicContact CG2-CD1 4.13Å; T102-L110 HydrophobicContact CG2-CD2 3.75Å; W106-L110 PolarHBondContact O-N 3.49Å; W107-L110 HydrophobicContact CD2-CD1 4.49Å; W107-L110 HydrophobicContact CE3-CD1 3.84Å; W107-L110 HydrophobicContact CZ3-CD1 4.05Å; W107-L110 PolarHBondContact O-N 3.42Å; L110-F114 VanDerWaalsContact O-CB 3.28Å; L110-F114 WeakPolarHBondContact O-CB 3.19Å; L110-F114 PolarHBondContact O-N 3.37Å |
| 111 | V | 93.4 | Very high | 92.4 | Very high | 87 Ų | 87 | 74.6 Ų | 74.6 | 53% | 0.527 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.6 | -50.8 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | W107 F109 W113 F114 I115 | W107-V111 WeakPolarHBondContact O-CG2 3.2Å; W107-V111 PolarHBondContact O-N 3.35Å; F109-V111 VanDerWaalsContact C-N 3.32Å; F109-V111 PolarHBondContact O-N 3.05Å; V111-W113 VanDerWaalsContact C-N 3.29Å; V111-W113 PolarHBondContact O-N 2.78Å; V111-F114 PolarHBondContact O-N 2.93Å; V111-I115 HydrophobicContact CG1-CD1 4Å; V111-I115 WeakPolarHBondContact O-CG1 3.45Å; V111-I115 PolarHBondContact O-N 3.08Å; V111-I115 VanDerWaalsContact O-N 3.08Å |
| 112 | T | 93.7 | Very high | 92.7 | Very high | 58 Ų | 58 | 79.9 Ų | 79.9 | 36% | 0.356 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | R108 F109 I115 F116 Y194 | R108-T112 WeakPolarHBondContact O-CG2 3.43Å; R108-T112 PolarHBondContact O-N 3.43Å; R108-T112 PolarHBondContact O-OG1 3.26Å; F109-T112 PolarHBondContact O-N 3.35Å; F109-T112 PolarHBondContact O-OG1 2.84Å; T112-I115 PolarHBondContact O-N 3.09Å; T112-F116 VanDerWaalsContact O-CB 3.29Å; T112-F116 WeakPolarHBondContact O-CB 3.48Å; T112-F116 PolarHBondContact O-N 3.19Å; T112-Y194 WeakPolarHBondContact CB-OH 3.38Å; T112-Y194 PolarHBondContact OG1-OH 2.96Å |
| 113 | W | 94.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 77 Ų | 77 | 13% | 0.125 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 178.8 | 179.6 | 100.5 | 0 | 0 | 0 | 111.5 | W94 L98 F109 V111 F116 S117 Y193 Y194 | W94-W113 AromaticContact CD1-CE2 3.34Å; W94-W113 AromaticContact CD1-CZ2 3.04Å; W94-W113 AromaticContact CD1-NE1 3.35Å; W94-W113 VanDerWaalsContact CD1-NE1 3.35Å; W94-W113 HydrophobicContact CG-CZ2 4.07Å; W94-W113 AromaticContact NE1-CE2 3.4Å; W94-W113 AromaticContact NE1-CH2 3.7Å; W94-W113 AromaticContact NE1-CZ2 3.04Å; W94-W113 AromaticContact NE1-NE1 3.75Å; L98-W113 HydrophobicContact CB-CZ2 4.18Å; L98-W113 HydrophobicContact CD1-CD2 4.12Å; L98-W113 HydrophobicContact CD1-CE3 3.95Å; L98-W113 HydrophobicContact CD1-CH2 3.92Å; L98-W113 HydrophobicContact CD1-CZ2 3.99Å; L98-W113 HydrophobicContact CD1-CZ3 3.89Å; L98-W113 HydrophobicContact CD2-CH2 3.69Å; L98-W113 HydrophobicContact CD2-CZ2 3.88Å; L98-W113 HydrophobicContact CD2-CZ3 4.34Å; L98-W113 HydrophobicContact CG-CH2 4.32Å; L98-W113 HydrophobicContact CG-CZ2 4.24Å; F109-W113 HydrophobicContact CD1-CB 4.15Å; F109-W113 HydrophobicContact CE1-CB 3.92Å; F109-W113 AromaticContact CE1-CD1 3.59Å; F109-W113 AromaticContact CE1-CG 3.94Å; F109-W113 HydrophobicContact CE1-CG 3.94Å; F109-W113 HydrophobicContact CZ-CB 4.39Å; F109-W113 AromaticContact CZ-CD1 3.74Å; F109-W113 HydrophobicContact CZ-CG 4.39Å; F109-W113 WeakPolarHBondContact O-CB 3.48Å; F109-W113 PolarHBondContact O-N 2.98Å; V111-W113 VanDerWaalsContact C-N 3.29Å; V111-W113 PolarHBondContact O-N 2.78Å; W113-F116 PolarHBondContact O-N 2.86Å; W113-S117 WeakPolarHBondContact O-CB 3.41Å; W113-S117 PolarHBondContact O-N 3.38Å; W113-S117 PolarHBondContact O-OG 3.05Å; W113-Y193 PolarHBondContact NE1-OH 3.07Å; W113-Y194 VanDerWaalsContact CA-OH 3.25Å; W113-Y194 WeakPolarHBondContact CA-OH 3.47Å; W113-Y194 PolarHBondContact N-OH 2.91Å |
| 114 | F | 94.1 | Very high | 93 | Very high | 130 Ų | 130 | 71.5 Ų | 71.5 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65 | -47.7 | 177.6 | -179.9 | -100.3 | 0 | 0 | 0 | 111.1 | L110 V111 F116 S117 V118 | L110-F114 VanDerWaalsContact O-CB 3.28Å; L110-F114 WeakPolarHBondContact O-CB 3.19Å; L110-F114 PolarHBondContact O-N 3.37Å; V111-F114 PolarHBondContact O-N 2.93Å; F114-F116 PolarHBondContact O-N 3.41Å; F114-S117 PolarHBondContact O-N 2.94Å; F114-V118 HydrophobicContact CD1-CG2 4.3Å; F114-V118 HydrophobicContact CD2-CG2 4.47Å; F114-V118 HydrophobicContact CE1-CG2 3.9Å; F114-V118 HydrophobicContact CE2-CG2 4.09Å; F114-V118 HydrophobicContact CZ-CG2 3.79Å; F114-V118 WeakPolarHBondContact O-CG2 3.22Å; F114-V118 PolarHBondContact O-N 3.35Å |
| 115 | I | 94.6 | Very high | 93.2 | Very high | 98 Ų | 98 | 71.1 Ų | 71.1 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 176.1 | -65.8 | 167.3 | 0 | 0 | 0 | 110.2 | V111 T112 S117 V118 V119 | V111-I115 HydrophobicContact CG1-CD1 4Å; V111-I115 WeakPolarHBondContact O-CG1 3.45Å; V111-I115 PolarHBondContact O-N 3.08Å; V111-I115 VanDerWaalsContact O-N 3.08Å; T112-I115 PolarHBondContact O-N 3.09Å; I115-S117 VanDerWaalsContact C-N 3.3Å; I115-S117 PolarHBondContact O-N 3.23Å; I115-V118 PolarHBondContact O-N 3.43Å; I115-V119 WeakPolarHBondContact O-CG2 3.39Å; I115-V119 PolarHBondContact O-N 2.92Å |
| 116 | F | 94.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.057 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | 177.3 | 173.9 | -97.1 | 0 | 0 | 0 | 112 | T112 W113 F114 T120 L147 Y194 L197 | T112-F116 VanDerWaalsContact O-CB 3.29Å; T112-F116 WeakPolarHBondContact O-CB 3.48Å; T112-F116 PolarHBondContact O-N 3.19Å; W113-F116 PolarHBondContact O-N 2.86Å; F114-F116 PolarHBondContact O-N 3.41Å; F116-T120 WeakPolarHBondContact CE2-OG1 3.31Å; F116-T120 WeakPolarHBondContact CZ-OG1 3.31Å; F116-T120 WeakPolarHBondContact O-CB 3.28Å; F116-T120 PolarHBondContact O-N 2.84Å; F116-T120 PolarHBondContact O-OG1 2.79Å; F116-L147 HydrophobicContact CD2-CD1 3.98Å; F116-L147 HydrophobicContact CE2-CD1 3.69Å; F116-L147 HydrophobicContact CE2-CD2 3.56Å; F116-L147 HydrophobicContact CE2-CG 4.26Å; F116-L147 HydrophobicContact CZ-CD2 4.23Å; F116-Y194 HydrophobicContact CB-CD1 4.21Å; F116-Y194 HydrophobicContact CB-CE1 3.68Å; F116-Y194 AromaticContact CD1-CD1 3.93Å; F116-Y194 HydrophobicContact CD1-CD1 3.93Å; F116-Y194 AromaticContact CD1-CE1 3.84Å; F116-Y194 HydrophobicContact CD1-CE1 3.84Å; F116-Y194 AromaticContact CD2-CD1 3.72Å; F116-Y194 HydrophobicContact CD2-CD1 3.72Å; F116-Y194 HydrophobicContact CD2-CE1 4.08Å; F116-Y194 HydrophobicContact CE1-CD1 4.25Å; F116-Y194 HydrophobicContact CE2-CD1 4.06Å; F116-Y194 AromaticContact CG-CD1 3.64Å; F116-Y194 HydrophobicContact CG-CD1 3.64Å; F116-Y194 AromaticContact CG-CE1 3.56Å; F116-Y194 HydrophobicContact CG-CE1 3.56Å; F116-Y194 HydrophobicContact CZ-CD1 4.32Å; F116-L197 HydrophobicContact CD1-CD1 4.46Å; F116-L197 HydrophobicContact CE1-CB 4Å; F116-L197 HydrophobicContact CE1-CD1 3.83Å; F116-L197 HydrophobicContact CZ-CB 3.88Å; F116-L197 HydrophobicContact CZ-CD1 4.49Å |
| 117 | S | 93.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | -178.9 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | W94 W113 F114 I115 A121 | W94-S117 PolarHBondContact NE1-OG 2.94Å; W113-S117 WeakPolarHBondContact O-CB 3.41Å; W113-S117 PolarHBondContact O-N 3.38Å; W113-S117 PolarHBondContact O-OG 3.05Å; F114-S117 PolarHBondContact O-N 2.94Å; I115-S117 VanDerWaalsContact C-N 3.3Å; I115-S117 PolarHBondContact O-N 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.15Å; S117-A121 PolarHBondContact O-N 3.37Å |
| 118 | V | 95.6 | Very high | 93.3 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | F114 I115 A121 Y122 | F114-V118 HydrophobicContact CD1-CG2 4.3Å; F114-V118 HydrophobicContact CD2-CG2 4.47Å; F114-V118 HydrophobicContact CE1-CG2 3.9Å; F114-V118 HydrophobicContact CE2-CG2 4.09Å; F114-V118 HydrophobicContact CZ-CG2 3.79Å; F114-V118 WeakPolarHBondContact O-CG2 3.22Å; F114-V118 PolarHBondContact O-N 3.35Å; I115-V118 PolarHBondContact O-N 3.43Å; V118-A121 PolarHBondContact O-N 2.93Å; V118-Y122 PolarHBondContact O-N 2.9Å |
| 119 | V | 95.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 54 Ų | 54 | 28% | 0.279 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | I115 A121 Y122 V123 W143 | I115-V119 WeakPolarHBondContact O-CG2 3.39Å; I115-V119 PolarHBondContact O-N 2.92Å; V119-A121 PolarHBondContact O-N 3.33Å; V119-Y122 PolarHBondContact O-N 3.26Å; V119-V123 HydrophobicContact CG1-CG2 4.49Å; V119-V123 WeakPolarHBondContact O-CG2 3.37Å; V119-V123 PolarHBondContact O-N 3.29Å; V119-W143 HydrophobicContact CB-CH2 3.92Å; V119-W143 HydrophobicContact CB-CZ2 3.79Å; V119-W143 HydrophobicContact CG1-CD2 3.97Å; V119-W143 HydrophobicContact CG1-CE3 3.96Å; V119-W143 HydrophobicContact CG1-CH2 3.37Å; V119-W143 HydrophobicContact CG1-CZ2 3.34Å; V119-W143 HydrophobicContact CG1-CZ3 3.68Å; V119-W143 HydrophobicContact CG2-CH2 4.45Å |
| 120 | T | 93.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -39 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | F116 V123 T124 F144 F201 | F116-T120 WeakPolarHBondContact CE2-OG1 3.31Å; F116-T120 WeakPolarHBondContact CZ-OG1 3.31Å; F116-T120 WeakPolarHBondContact O-CB 3.28Å; F116-T120 PolarHBondContact O-N 2.84Å; F116-T120 PolarHBondContact O-OG1 2.79Å; T120-V123 PolarHBondContact O-N 2.82Å; T120-T124 VanDerWaalsContact O-CB 3.27Å; T120-T124 WeakPolarHBondContact O-CB 3.21Å; T120-T124 PolarHBondContact O-N 3.04Å; T120-T124 PolarHBondContact O-OG1 2.63Å; T120-F144 HydrophobicContact CG2-CE1 4.47Å; T120-F144 HydrophobicContact CG2-CZ 4.46Å; T120-F201 HydrophobicContact CG2-CB 4.02Å; T120-F201 HydrophobicContact CG2-CD1 3.69Å; T120-F201 HydrophobicContact CG2-CD2 3.74Å; T120-F201 HydrophobicContact CG2-CE1 4.02Å; T120-F201 HydrophobicContact CG2-CE2 4.07Å; T120-F201 HydrophobicContact CG2-CG 3.54Å; T120-F201 HydrophobicContact CG2-CZ 4.21Å |
| 121 | A | 93.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 66.6 Ų | 66.6 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S117 V118 V119 T124 Y125 | S117-A121 WeakPolarHBondContact O-CB 3.15Å; S117-A121 PolarHBondContact O-N 3.37Å; V118-A121 PolarHBondContact O-N 2.93Å; V119-A121 PolarHBondContact O-N 3.33Å; A121-T124 PolarHBondContact O-N 3.02Å; A121-Y125 VanDerWaalsContact O-CB 3.26Å; A121-Y125 WeakPolarHBondContact O-CB 3.11Å; A121-Y125 PolarHBondContact O-N 3.43Å |
| 122 | Y | 95.4 | Very high | 91.8 | Very high | 119 Ų | 119 | 64 Ų | 64 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 175.4 | 171.4 | -104 | 0 | 0 | 0 | 112.5 | V118 V119 Y125 R126 | V118-Y122 PolarHBondContact O-N 2.9Å; V119-Y122 PolarHBondContact O-N 3.26Å; Y122-Y125 PolarHBondContact O-N 2.92Å; Y122-R126 HydrophobicContact CE1-CG 4.39Å; Y122-R126 HydrophobicContact CE2-CG 4.17Å; Y122-R126 WeakPolarHBondContact O-CG 3.22Å; Y122-R126 PolarHBondContact O-N 3.34Å; Y122-R126 PolarHBondContact OH-NH1 2.63Å |
| 123 | V | 94.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 111 | V119 T120 R126 A127 V140 W143 F144 | V119-V123 HydrophobicContact CG1-CG2 4.49Å; V119-V123 WeakPolarHBondContact O-CG2 3.37Å; V119-V123 PolarHBondContact O-N 3.29Å; T120-V123 PolarHBondContact O-N 2.82Å; V123-R126 PolarHBondContact O-N 2.97Å; V123-A127 PolarHBondContact O-N 2.98Å; V123-V140 HydrophobicContact CG1-CB 4.27Å; V123-V140 HydrophobicContact CG1-CG1 4.42Å; V123-V140 HydrophobicContact CG1-CG2 3.81Å; V123-W143 HydrophobicContact CG1-CB 4.45Å; V123-W143 HydrophobicContact CG1-CG 4.43Å; V123-W143 HydrophobicContact CG2-CB 4.17Å; V123-W143 HydrophobicContact CG2-CD2 4.38Å; V123-W143 HydrophobicContact CG2-CG 3.82Å; V123-F144 HydrophobicContact CG1-CE2 4.01Å; V123-F144 HydrophobicContact CG1-CZ 4.45Å |
| 124 | T | 92.7 | Very high | 90.8 | Very high | 22 Ų | 22 | 67 Ų | 67 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | T120 A121 R126 A127 T128 | T120-T124 VanDerWaalsContact O-CB 3.27Å; T120-T124 WeakPolarHBondContact O-CB 3.21Å; T120-T124 PolarHBondContact O-N 3.04Å; T120-T124 PolarHBondContact O-OG1 2.63Å; A121-T124 PolarHBondContact O-N 3.02Å; T124-R126 PolarHBondContact O-N 3.28Å; T124-A127 PolarHBondContact O-N 3.33Å; T124-T128 HydrophobicContact CG2-CG2 4.21Å; T124-T128 WeakPolarHBondContact O-CB 3.35Å; T124-T128 VanDerWaalsContact O-CG2 3.23Å; T124-T128 WeakPolarHBondContact O-CG2 3.42Å; T124-T128 PolarHBondContact O-N 3.44Å; T124-T128 PolarHBondContact O-OG1 3.37Å |
| 125 | Y | 93.8 | Very high | 90.4 | Very high | 123 Ų | 123 | 63.5 Ų | 63.5 | 48% | 0.482 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 173.6 | 171.4 | -109.2 | 0 | 0 | 0 | 111.4 | A121 Y122 A127 T128 R129 | A121-Y125 VanDerWaalsContact O-CB 3.26Å; A121-Y125 WeakPolarHBondContact O-CB 3.11Å; A121-Y125 PolarHBondContact O-N 3.43Å; Y122-Y125 PolarHBondContact O-N 2.92Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; Y125-A127 PolarHBondContact O-N 3.46Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.49Å; Y125-T128 PolarHBondContact O-N 3.21Å; Y125-T128 PolarHBondContact O-OG1 3.28Å; Y125-T128 VanDerWaalsContact O-OG1 3.06Å; Y125-R129 HydrophobicContact CD2-CG 4.44Å; Y125-R129 HydrophobicContact CE1-CG 4.35Å; Y125-R129 HydrophobicContact CE2-CG 4.15Å; Y125-R129 WeakPolarHBondContact O-CG 3.47Å; Y125-R129 PolarHBondContact O-N 2.93Å; Y125-R129 PolarHBondContact OH-NH1 2.87Å |
| 126 | R | 92.7 | Very high | 90.2 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 18% | 0.181 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 175.2 | -67.6 | -70.4 | -69.6 | -100.6 | 6.7 | 111.5 | Y122 V123 T124 T128 E133 T136 | Y122-R126 HydrophobicContact CE1-CG 4.39Å; Y122-R126 HydrophobicContact CE2-CG 4.17Å; Y122-R126 WeakPolarHBondContact O-CG 3.22Å; Y122-R126 PolarHBondContact O-N 3.34Å; Y122-R126 PolarHBondContact OH-NH1 2.63Å; V123-R126 PolarHBondContact O-N 2.97Å; T124-R126 PolarHBondContact O-N 3.28Å; R126-T128 VanDerWaalsContact C-N 3.3Å; R126-T128 PolarHBondContact O-N 3.07Å; R126-E133 IonicContact CZ-OE2 3.89Å; R126-E133 IonicContact NE-OE2 3.88Å; R126-E133 IonicContact NH2-OE1 3.86Å; R126-E133 IonicContact NH2-OE2 3.27Å; R126-E133 PolarHBondContact NH2-OE2 3.45Å; R126-T136 HydrophobicContact CB-CG2 4.02Å; R126-T136 WeakPolarHBondContact O-CG2 3.23Å |
| 127 | A | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.4 | -26.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V123 T124 Y125 V140 C205 M209 | V123-A127 PolarHBondContact O-N 2.98Å; T124-A127 PolarHBondContact O-N 3.33Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; Y125-A127 PolarHBondContact O-N 3.46Å; A127-V140 HydrophobicContact CB-CG2 3.91Å; A127-C205 HydrophobicContact CB-CB 3.96Å; A127-M209 HydrophobicContact CB-CG 4.11Å; A127-M209 HydrophobicContact CB-SD 4.39Å |
| 128 | T | 89.9 | Confident | 89.8 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -94.6 | -11 | -176.2 | 52 | 0 | 0 | 0 | 0 | 114 | T124 Y125 R126 V208 | T124-T128 HydrophobicContact CG2-CG2 4.21Å; T124-T128 WeakPolarHBondContact O-CB 3.35Å; T124-T128 VanDerWaalsContact O-CG2 3.23Å; T124-T128 WeakPolarHBondContact O-CG2 3.42Å; T124-T128 PolarHBondContact O-N 3.44Å; T124-T128 PolarHBondContact O-OG1 3.37Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.49Å; Y125-T128 PolarHBondContact O-N 3.21Å; Y125-T128 PolarHBondContact O-OG1 3.28Å; Y125-T128 VanDerWaalsContact O-OG1 3.06Å; R126-T128 VanDerWaalsContact C-N 3.3Å; R126-T128 PolarHBondContact O-N 3.07Å; T128-V208 HydrophobicContact CG2-CB 4.43Å; T128-V208 HydrophobicContact CG2-CG1 3.95Å; T128-V208 HydrophobicContact CG2-CG2 4.29Å |
| 129 | R | 87.1 | Confident | 89.7 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | trans | -65.5 | 142.5 | 178.4 | -71.4 | -120.3 | -72 | -166.6 | 1.7 | 112.2 | Y125 P131 | Y125-R129 HydrophobicContact CD2-CG 4.44Å; Y125-R129 HydrophobicContact CE1-CG 4.35Å; Y125-R129 HydrophobicContact CE2-CG 4.15Å; Y125-R129 WeakPolarHBondContact O-CG 3.47Å; Y125-R129 PolarHBondContact O-N 2.93Å; Y125-R129 PolarHBondContact OH-NH1 2.87Å; R129-P131 CarbonylContact O-C 3.47Å | ||
| 130 | K | 84.4 | Confident | 89.6 | Confident | 168 Ų | 168 | 57.4 Ų | 57.4 | 73% | 0.73 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -122.3 | 127 | 174.7 | -61.9 | -178.6 | -179 | 179.9 | 0 | 109 | T212 | K130-T212 HydrophobicContact CG-CG2 4.14Š|
| 131 | P | 80.8 | Confident | 89.4 | Confident | 123 Ų | 123 | 57.4 Ų | 57.4 | 80% | 0.799 | 29% | 0.286 | S | S | * | . | S | Bend | cis | -68.9 | 152.2 | -4.6 | 31 | -35.1 | 0 | 0 | 0 | 112.3 | R129 | R129-P131 CarbonylContact O-C 3.47Š|
| 132 | L | 82.9 | Confident | 89.3 | Confident | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 127.8 | 176.1 | -171.7 | 71.8 | 0 | 0 | 0 | 109.6 | T136 P137 M209 T212 V213 | L132-T136 HydrophobicContact CD1-CG2 3.79Å; L132-P137 HydrophobicContact CD2-CG 4.09Å; L132-M209 HydrophobicContact CD1-CG 4.14Å; L132-M209 HydrophobicContact CD2-CB 4.11Å; L132-M209 HydrophobicContact CD2-CG 4.02Å; L132-T212 HydrophobicContact CB-CG2 3.79Å; L132-V213 HydrophobicContact CD2-CG2 3.67Å |
| 133 | E | 83.8 | Confident | 89.2 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 138.7 | 176.9 | -173.4 | -170 | 164.5 | 0 | 0 | 111 | R126 T135 T136 P137 | R126-E133 IonicContact CZ-OE2 3.89Å; R126-E133 IonicContact NE-OE2 3.88Å; R126-E133 IonicContact NH2-OE1 3.86Å; R126-E133 IonicContact NH2-OE2 3.27Å; R126-E133 PolarHBondContact NH2-OE2 3.45Å; E133-T135 VanDerWaalsContact CD-OG1 3.26Å; E133-T135 PolarHBondContact O-N 2.84Å; E133-T135 VanDerWaalsContact O-N 3.09Å; E133-T135 PolarHBondContact OE1-OG1 3Å; E133-T136 VanDerWaalsContact O-CB 3.26Å; E133-T136 WeakPolarHBondContact O-CB 3.16Å; E133-T136 PolarHBondContact O-N 3.01Å; E133-T136 PolarHBondContact O-OG1 3.01Å; E133-P137 WeakPolarHBondContact O-CD 3.19Å |
| 134 | C | 82.8 | Confident | 89.1 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 42% | 0.419 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31.3 | -176.7 | -67.3 | 0 | 0 | 0 | 0 | 114.8 | C234 Q236 | C134-C234 CarbonylContact C-O 3.28Å; C134-C234 VanDerWaalsContact C-O 3.28Å; C134-C234 WeakPolarHBondContact CA-O 3.21Å; C134-C234 WeakPolarHBondContact CB-O 3.39Å; C134-C234 WeakPolarHBondContact O-CB 3.37Å; C134-Q236 HydrophobicContact CB-CG 4.36Å |
| 135 | T | 85.8 | Confident | 88.8 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -18.1 | 179.6 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | E133 R138 L139 | E133-T135 VanDerWaalsContact CD-OG1 3.26Å; E133-T135 PolarHBondContact O-N 2.84Å; E133-T135 VanDerWaalsContact O-N 3.09Å; E133-T135 PolarHBondContact OE1-OG1 3Å; T135-R138 PolarHBondContact O-N 2.7Å; T135-L139 PolarHBondContact O-N 2.73Å |
| 136 | T | 90.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | -171.2 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | R126 L132 E133 R138 L139 V140 M209 | R126-T136 HydrophobicContact CB-CG2 4.02Å; R126-T136 WeakPolarHBondContact O-CG2 3.23Å; L132-T136 HydrophobicContact CD1-CG2 3.79Å; E133-T136 VanDerWaalsContact O-CB 3.26Å; E133-T136 WeakPolarHBondContact O-CB 3.16Å; E133-T136 PolarHBondContact O-N 3.01Å; E133-T136 PolarHBondContact O-OG1 3.01Å; T136-R138 PolarHBondContact O-N 3.48Å; T136-L139 WeakPolarHBondContact O-CB 3.25Å; T136-L139 PolarHBondContact O-N 3.22Å; T136-L139 VanDerWaalsContact O-N 3.09Å; T136-V140 HydrophobicContact CG2-CG2 3.96Å; T136-V140 VanDerWaalsContact O-CG2 3.3Å; T136-V140 WeakPolarHBondContact O-CG2 3.22Å; T136-V140 PolarHBondContact O-N 3.46Å; T136-M209 HydrophobicContact CG2-SD 4.47Å |
| 137 | P | 89.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.1 | -39.2 | 178.5 | -27.7 | 36.9 | 0 | 0 | 0 | 113 | L132 E133 Y141 M209 V233 | L132-P137 HydrophobicContact CD2-CG 4.09Å; E133-P137 WeakPolarHBondContact O-CD 3.19Å; P137-Y141 HydrophobicContact CB-CE2 4.3Å; P137-Y141 WeakPolarHBondContact O-CB 3.42Å; P137-Y141 WeakPolarHBondContact O-CD2 3.26Å; P137-Y141 PolarHBondContact O-N 3.31Å; P137-M209 HydrophobicContact CB-SD 4.09Å; P137-M209 HydrophobicContact CG-SD 4.06Å; P137-V233 HydrophobicContact CB-CG1 4.13Å; P137-V233 WeakPolarHBondContact CG-O 3.42Å |
| 138 | R | 90.3 | Very high | 88.5 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 177.1 | -67.7 | -178.3 | -179.1 | -91.3 | 4 | 111.9 | T135 T136 K142 C234 E249 H261 F263 | T135-R138 PolarHBondContact O-N 2.7Å; T136-R138 PolarHBondContact O-N 3.48Å; R138-K142 WeakPolarHBondContact O-CB 3.32Å; R138-K142 PolarHBondContact O-N 3.45Å; R138-C234 HydrophobicContact CG-CB 4.36Å; R138-E249 IonicContact CZ-OE1 3.77Å; R138-E249 IonicContact CZ-OE2 2.7Å; R138-E249 IonicContact NH1-OE1 3.41Å; R138-E249 PolarHBondContact NH1-OE1 3.33Å; R138-E249 IonicContact NH1-OE2 2.56Å; R138-E249 PolarHBondContact NH1-OE2 3.37Å; R138-E249 IonicContact NH2-OE1 2.67Å; R138-E249 PolarHBondContact NH2-OE1 3.49Å; R138-E249 IonicContact NH2-OE2 3.41Å; R138-E249 PolarHBondContact NH2-OE2 2.79Å; R138-H261 PolarHBondContact NH2-CE1 3.01Å; R138-H261 VanDerWaalsContact NH2-CE1 3.34Å; R138-H261 VanDerWaalsContact NH2-CG 3.31Å; R138-H261 PolarHBondContact NH2-ND1 3.02Å; R138-F263 HydrophobicContact CB-CE1 4.37Å; R138-F263 HydrophobicContact CG-CD1 4.44Å; R138-F263 HydrophobicContact CG-CE1 4.5Å |
| 139 | L | 92.5 | Very high | 88.5 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 176.4 | 178 | 68.1 | 0 | 0 | 0 | 111.1 | T135 T136 K142 W143 | T135-L139 PolarHBondContact O-N 2.73Å; T136-L139 WeakPolarHBondContact O-CB 3.25Å; T136-L139 PolarHBondContact O-N 3.22Å; T136-L139 VanDerWaalsContact O-N 3.09Å; L139-K142 PolarHBondContact O-N 2.85Å; L139-W143 WeakPolarHBondContact O-CB 3.45Å; L139-W143 PolarHBondContact O-N 3.38Å |
| 140 | V | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -52.3 | -179.7 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | V123 A127 T136 K142 W143 F144 C205 M209 | V123-V140 HydrophobicContact CG1-CB 4.27Å; V123-V140 HydrophobicContact CG1-CG1 4.42Å; V123-V140 HydrophobicContact CG1-CG2 3.81Å; A127-V140 HydrophobicContact CB-CG2 3.91Å; T136-V140 HydrophobicContact CG2-CG2 3.96Å; T136-V140 VanDerWaalsContact O-CG2 3.3Å; T136-V140 WeakPolarHBondContact O-CG2 3.22Å; T136-V140 PolarHBondContact O-N 3.46Å; V140-K142 VanDerWaalsContact C-N 3.34Å; V140-K142 PolarHBondContact O-N 3.46Å; V140-W143 PolarHBondContact O-N 3.08Å; V140-F144 HydrophobicContact CG1-CD2 3.72Å; V140-F144 HydrophobicContact CG1-CE2 3.78Å; V140-F144 VanDerWaalsContact O-CD2 3.22Å; V140-F144 WeakPolarHBondContact O-CD2 3.46Å; V140-F144 PolarHBondContact O-N 3.31Å; V140-C205 HydrophobicContact CG1-CB 3.82Å; V140-M209 HydrophobicContact CB-CE 4.02Å; V140-M209 HydrophobicContact CB-SD 4.13Å; V140-M209 HydrophobicContact CG1-CE 3.67Å; V140-M209 HydrophobicContact CG1-SD 4.29Å; V140-M209 HydrophobicContact CG2-CE 4.4Å; V140-M209 HydrophobicContact CG2-SD 3.93Å |
| 141 | Y | 90.5 | Very high | 89 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 179.8 | -62 | -29.8 | 0 | 0 | 0 | 112.5 | P137 L145 M209 V233 V271 | P137-Y141 HydrophobicContact CB-CE2 4.3Å; P137-Y141 WeakPolarHBondContact O-CB 3.42Å; P137-Y141 WeakPolarHBondContact O-CD2 3.26Å; P137-Y141 PolarHBondContact O-N 3.31Å; Y141-L145 WeakPolarHBondContact O-CB 3.38Å; Y141-L145 PolarHBondContact O-N 2.91Å; Y141-M209 HydrophobicContact CD1-CE 4.44Å; Y141-M209 HydrophobicContact CE1-CE 3.71Å; Y141-V233 HydrophobicContact CE2-CG1 4.01Å; Y141-V271 HydrophobicContact CD1-CB 4.04Å; Y141-V271 HydrophobicContact CD1-CG1 3.97Å; Y141-V271 HydrophobicContact CE1-CB 4.5Å |
| 142 | K | 90.9 | Very high | 89.4 | Confident | 149 Ų | 149 | 56.6 Ų | 56.6 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.1 | -43.2 | 177.2 | -171.4 | 175.4 | -178.1 | 178 | 0 | 111.8 | R138 L139 V140 L146 F263 | R138-K142 WeakPolarHBondContact O-CB 3.32Å; R138-K142 PolarHBondContact O-N 3.45Å; L139-K142 PolarHBondContact O-N 2.85Å; V140-K142 VanDerWaalsContact C-N 3.34Å; V140-K142 PolarHBondContact O-N 3.46Å; K142-L146 WeakPolarHBondContact O-CB 3.32Å; K142-L146 PolarHBondContact O-N 2.93Å; K142-F263 HydrophobicContact CB-CZ 4.24Å |
| 143 | W | 93.7 | Very high | 89.7 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -52.9 | 176.8 | 172.1 | -111.3 | 0 | 0 | 0 | 111.8 | V119 V123 L139 V140 L145 L146 L147 | V119-W143 HydrophobicContact CB-CH2 3.92Å; V119-W143 HydrophobicContact CB-CZ2 3.79Å; V119-W143 HydrophobicContact CG1-CD2 3.97Å; V119-W143 HydrophobicContact CG1-CE3 3.96Å; V119-W143 HydrophobicContact CG1-CH2 3.37Å; V119-W143 HydrophobicContact CG1-CZ2 3.34Å; V119-W143 HydrophobicContact CG1-CZ3 3.68Å; V119-W143 HydrophobicContact CG2-CH2 4.45Å; V123-W143 HydrophobicContact CG1-CB 4.45Å; V123-W143 HydrophobicContact CG1-CG 4.43Å; V123-W143 HydrophobicContact CG2-CB 4.17Å; V123-W143 HydrophobicContact CG2-CD2 4.38Å; V123-W143 HydrophobicContact CG2-CG 3.82Å; L139-W143 WeakPolarHBondContact O-CB 3.45Å; L139-W143 PolarHBondContact O-N 3.38Å; V140-W143 PolarHBondContact O-N 3.08Å; W143-L145 VanDerWaalsContact C-N 3.32Å; W143-L145 PolarHBondContact O-N 2.91Å; W143-L146 HydrophobicContact CE3-CD2 4.41Å; W143-L146 HydrophobicContact CZ3-CD2 4.37Å; W143-L146 WeakPolarHBondContact O-CB 3.42Å; W143-L146 PolarHBondContact O-N 3.16Å; W143-L147 WeakPolarHBondContact O-CB 3.28Å; W143-L147 PolarHBondContact O-N 3.24Å |
| 144 | F | 91.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.6 | -29.4 | -177.9 | -72.2 | -62.3 | 0 | 0 | 0 | 113 | T120 V123 V140 L147 Y148 G198 F201 A202 C205 V271 | T120-F144 HydrophobicContact CG2-CE1 4.47Å; T120-F144 HydrophobicContact CG2-CZ 4.46Å; V123-F144 HydrophobicContact CG1-CE2 4.01Å; V123-F144 HydrophobicContact CG1-CZ 4.45Å; V140-F144 HydrophobicContact CG1-CD2 3.72Å; V140-F144 HydrophobicContact CG1-CE2 3.78Å; V140-F144 VanDerWaalsContact O-CD2 3.22Å; V140-F144 WeakPolarHBondContact O-CD2 3.46Å; V140-F144 PolarHBondContact O-N 3.31Å; F144-L147 HydrophobicContact CD1-CD2 4.13Å; F144-Y148 VanDerWaalsContact O-CB 3.31Å; F144-Y148 WeakPolarHBondContact O-CB 3.25Å; F144-Y148 PolarHBondContact O-N 2.84Å; F144-G198 VanDerWaalsContact CD1-O 3.31Å; F144-G198 WeakPolarHBondContact CD1-O 3.29Å; F144-F201 HydrophobicContact CE1-CB 3.61Å; F144-F201 HydrophobicContact CZ-CB 3.64Å; F144-A202 HydrophobicContact CB-CB 3.8Å; F144-A202 HydrophobicContact CD1-CB 3.81Å; F144-A202 HydrophobicContact CD2-CB 3.74Å; F144-A202 HydrophobicContact CE1-CB 4.33Å; F144-A202 HydrophobicContact CE2-CB 4.26Å; F144-A202 HydrophobicContact CG-CB 3.5Å; F144-C205 HydrophobicContact CE2-CB 4.12Å; F144-V271 HydrophobicContact CB-CG1 3.94Å |
| 145 | L | 87.8 | Confident | 90.6 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 170.7 | -178.2 | 64.3 | 0 | 0 | 0 | 112 | Y141 W143 Y148 K149 F263 | Y141-L145 WeakPolarHBondContact O-CB 3.38Å; Y141-L145 PolarHBondContact O-N 2.91Å; W143-L145 VanDerWaalsContact C-N 3.32Å; W143-L145 PolarHBondContact O-N 2.91Å; L145-Y148 HydrophobicContact CD1-CD1 4.45Å; L145-Y148 PolarHBondContact O-N 3.48Å; L145-K149 WeakPolarHBondContact O-CG 3.02Å; L145-K149 PolarHBondContact O-N 3.25Å; L145-F263 HydrophobicContact CD2-CE2 4.35Å |
| 146 | L | 90.9 | Very high | 90.9 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 174.9 | 174.6 | 65.4 | 0 | 0 | 0 | 110.6 | K142 W143 Y148 K149 I150 | K142-L146 WeakPolarHBondContact O-CB 3.32Å; K142-L146 PolarHBondContact O-N 2.93Å; W143-L146 HydrophobicContact CE3-CD2 4.41Å; W143-L146 HydrophobicContact CZ3-CD2 4.37Å; W143-L146 WeakPolarHBondContact O-CB 3.42Å; W143-L146 PolarHBondContact O-N 3.16Å; L146-Y148 VanDerWaalsContact C-N 3.35Å; L146-Y148 PolarHBondContact O-N 3.22Å; L146-K149 PolarHBondContact O-N 3.34Å; L146-K149 VanDerWaalsContact O-N 3.16Å; L146-I150 HydrophobicContact CD1-CD1 3.99Å; L146-I150 HydrophobicContact CD1-CG1 4.32Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.41Å |
| 147 | L | 91.7 | Very high | 91.1 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | 177.5 | -177.8 | 71.6 | 0 | 0 | 0 | 111.3 | F116 W143 F144 K149 I150 S151 | F116-L147 HydrophobicContact CD2-CD1 3.98Å; F116-L147 HydrophobicContact CE2-CD1 3.69Å; F116-L147 HydrophobicContact CE2-CD2 3.56Å; F116-L147 HydrophobicContact CE2-CG 4.26Å; F116-L147 HydrophobicContact CZ-CD2 4.23Å; W143-L147 WeakPolarHBondContact O-CB 3.28Å; W143-L147 PolarHBondContact O-N 3.24Å; F144-L147 HydrophobicContact CD1-CD2 4.13Å; L147-K149 VanDerWaalsContact C-N 3.33Å; L147-K149 PolarHBondContact O-N 2.86Å; L147-I150 PolarHBondContact O-N 3.44Å; L147-S151 WeakPolarHBondContact O-CB 3.49Å; L147-S151 PolarHBondContact O-N 3.46Å; L147-S151 PolarHBondContact O-OG 2.98Å |
| 148 | Y | 88.3 | Confident | 91.3 | Very high | 108 Ų | 108 | 57 Ų | 57 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.4 | -46.8 | 174.3 | 168.6 | -99.8 | 0 | 0 | 0 | 112 | F144 L145 L146 I150 S151 Y152 Y301 | F144-Y148 VanDerWaalsContact O-CB 3.31Å; F144-Y148 WeakPolarHBondContact O-CB 3.25Å; F144-Y148 PolarHBondContact O-N 2.84Å; L145-Y148 HydrophobicContact CD1-CD1 4.45Å; L145-Y148 PolarHBondContact O-N 3.48Å; L146-Y148 VanDerWaalsContact C-N 3.35Å; L146-Y148 PolarHBondContact O-N 3.22Å; Y148-I150 PolarHBondContact O-N 3.12Å; Y148-S151 PolarHBondContact O-N 3.19Å; Y148-Y152 WeakPolarHBondContact O-CB 3.25Å; Y148-Y152 PolarHBondContact O-N 3.29Å; Y148-Y301 HydrophobicContact CE2-CE1 4.2Å |
| 149 | K | 88.8 | Confident | 91.4 | Very high | 127 Ų | 127 | 61.2 Ų | 61.2 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 178.9 | -74.7 | -179.5 | 176.8 | -171.6 | 0 | 112.4 | L145 L146 L147 A153 | L145-K149 WeakPolarHBondContact O-CG 3.02Å; L145-K149 PolarHBondContact O-N 3.25Å; L146-K149 PolarHBondContact O-N 3.34Å; L146-K149 VanDerWaalsContact O-N 3.16Å; L147-K149 VanDerWaalsContact C-N 3.33Å; L147-K149 PolarHBondContact O-N 2.86Å; K149-A153 VanDerWaalsContact O-CB 3.28Å; K149-A153 WeakPolarHBondContact O-CB 3.25Å; K149-A153 PolarHBondContact O-N 3.07Å |
| 150 | I | 92.3 | Very high | 91.4 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 48% | 0.482 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -53.9 | 177.2 | -67.3 | 170.1 | 0 | 0 | 0 | 109.7 | L146 L147 Y148 Y152 A153 T154 | L146-I150 HydrophobicContact CD1-CD1 3.99Å; L146-I150 HydrophobicContact CD1-CG1 4.32Å; L146-I150 HydrophobicContact CG-CD1 3.94Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.41Å; L147-I150 PolarHBondContact O-N 3.44Å; Y148-I150 PolarHBondContact O-N 3.12Å; I150-Y152 VanDerWaalsContact C-N 3.29Å; I150-Y152 PolarHBondContact O-N 3.44Å; I150-A153 PolarHBondContact O-N 2.87Å; I150-T154 WeakPolarHBondContact O-CB 3.28Å; I150-T154 PolarHBondContact O-N 2.92Å; I150-T154 PolarHBondContact O-OG1 3.08Å |
| 151 | S | 91.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.5 | -42.3 | 178.8 | -72.7 | 0 | 0 | 0 | 0 | 112.8 | L147 Y148 G155 G191 G195 | L147-S151 WeakPolarHBondContact O-CB 3.49Å; L147-S151 PolarHBondContact O-N 3.46Å; L147-S151 PolarHBondContact O-OG 2.98Å; Y148-S151 PolarHBondContact O-N 3.19Å; S151-G155 PolarHBondContact O-N 3.38Å; S151-G191 VanDerWaalsContact CB-O 3.27Å; S151-G191 WeakPolarHBondContact CB-O 3.12Å; S151-G191 WeakPolarHBondContact O-CA 3.37Å; S151-G195 PolarHBondContact OG-N 3.11Å |
| 152 | Y | 87.6 | Confident | 91.6 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 177.5 | -176 | -105.7 | 0 | 0 | 0 | 112 | Y148 I150 G155 I156 | Y148-Y152 WeakPolarHBondContact O-CB 3.25Å; Y148-Y152 PolarHBondContact O-N 3.29Å; I150-Y152 VanDerWaalsContact C-N 3.29Å; I150-Y152 PolarHBondContact O-N 3.44Å; Y152-G155 PolarHBondContact O-N 3.3Å; Y152-I156 HydrophobicContact CD1-CD1 3.72Å; Y152-I156 HydrophobicContact CE1-CD1 3.23Å; Y152-I156 HydrophobicContact CE1-CG1 4.36Å; Y152-I156 HydrophobicContact CE2-CD1 4.2Å; Y152-I156 HydrophobicContact CG-CD1 4.39Å; Y152-I156 WeakPolarHBondContact O-CG1 3.37Å; Y152-I156 PolarHBondContact O-N 3.42Å |
| 153 | A | 90.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K149 I150 G155 I156 V157 | K149-A153 VanDerWaalsContact O-CB 3.28Å; K149-A153 WeakPolarHBondContact O-CB 3.25Å; K149-A153 PolarHBondContact O-N 3.07Å; I150-A153 PolarHBondContact O-N 2.87Å; A153-G155 VanDerWaalsContact C-N 3.31Å; A153-G155 PolarHBondContact O-N 3.45Å; A153-I156 PolarHBondContact O-N 2.91Å; A153-V157 WeakPolarHBondContact O-CG2 3.37Å; A153-V157 PolarHBondContact O-N 3.19Å |
| 154 | T | 93.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 23% | 0.233 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | I150 V157 G158 L187 | I150-T154 WeakPolarHBondContact O-CB 3.28Å; I150-T154 PolarHBondContact O-N 2.92Å; I150-T154 PolarHBondContact O-OG1 3.08Å; T154-V157 PolarHBondContact O-N 2.83Å; T154-G158 PolarHBondContact O-N 3.4Å; T154-L187 HydrophobicContact CG2-CB 4.29Å; T154-L187 HydrophobicContact CG2-CD2 3.96Å; T154-L187 WeakPolarHBondContact CG2-O 3.36Å |
| 155 | G | 92.1 | Very high | 91.6 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S151 Y152 A153 G158 Y159 L188 | S151-G155 PolarHBondContact O-N 3.38Å; Y152-G155 PolarHBondContact O-N 3.3Å; A153-G155 VanDerWaalsContact C-N 3.31Å; A153-G155 PolarHBondContact O-N 3.45Å; G155-G158 PolarHBondContact O-N 2.95Å; G155-Y159 WeakPolarHBondContact O-CB 3.41Å; G155-Y159 PolarHBondContact O-N 3.45Å; G155-L188 VanDerWaalsContact O-CD2 3.32Å; G155-L188 WeakPolarHBondContact O-CD2 3.49Å |
| 156 | I | 90.9 | Very high | 91.7 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 175.1 | -71 | 169 | 0 | 0 | 0 | 110.7 | Y152 A153 G158 Y159 S160 | Y152-I156 HydrophobicContact CD1-CD1 3.72Å; Y152-I156 HydrophobicContact CE1-CD1 3.23Å; Y152-I156 HydrophobicContact CE1-CG1 4.36Å; Y152-I156 HydrophobicContact CE2-CD1 4.2Å; Y152-I156 HydrophobicContact CG-CD1 4.39Å; Y152-I156 WeakPolarHBondContact O-CG1 3.37Å; Y152-I156 PolarHBondContact O-N 3.42Å; A153-I156 PolarHBondContact O-N 2.91Å; I156-G158 VanDerWaalsContact C-N 3.33Å; I156-G158 PolarHBondContact O-N 2.99Å; I156-Y159 PolarHBondContact O-N 3.23Å; I156-S160 PolarHBondContact O-N 3.46Å; I156-S160 PolarHBondContact O-OG 2.9Å |
| 157 | V | 94.4 | Very high | 91.7 | Very high | 78 Ų | 78 | 66 Ų | 66 | 47% | 0.473 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | A153 T154 Y159 S160 V161 L187 | A153-V157 WeakPolarHBondContact O-CG2 3.37Å; A153-V157 PolarHBondContact O-N 3.19Å; T154-V157 PolarHBondContact O-N 2.83Å; V157-Y159 PolarHBondContact O-N 2.98Å; V157-S160 PolarHBondContact O-N 2.88Å; V157-V161 WeakPolarHBondContact O-CG2 3.45Å; V157-V161 PolarHBondContact O-N 3.5Å; V157-L187 HydrophobicContact CG1-CD1 3.92Å |
| 158 | G | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T154 G155 I156 S160 V161 V162 | T154-G158 PolarHBondContact O-N 3.4Å; G155-G158 PolarHBondContact O-N 2.95Å; I156-G158 VanDerWaalsContact C-N 3.33Å; I156-G158 PolarHBondContact O-N 2.99Å; G158-S160 PolarHBondContact O-N 3.41Å; G158-V161 PolarHBondContact O-N 3.46Å; G158-V162 WeakPolarHBondContact O-CG2 3.43Å; G158-V162 PolarHBondContact O-N 3.06Å |
| 159 | Y | 92.4 | Very high | 91.2 | Very high | 134 Ų | 134 | 64.1 Ų | 64.1 | 53% | 0.525 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 175.8 | 177.8 | -103.6 | 0 | 0 | 0 | 111.8 | G155 I156 V157 V161 V162 M163 | G155-Y159 WeakPolarHBondContact O-CB 3.41Å; G155-Y159 PolarHBondContact O-N 3.45Å; I156-Y159 PolarHBondContact O-N 3.23Å; V157-Y159 PolarHBondContact O-N 2.98Å; Y159-V161 VanDerWaalsContact C-N 3.33Å; Y159-V161 PolarHBondContact O-N 2.87Å; Y159-V162 PolarHBondContact O-N 3.23Å; Y159-M163 HydrophobicContact CD1-CG 4.04Å; Y159-M163 HydrophobicContact CD2-CE 4.41Å; Y159-M163 HydrophobicContact CD2-CG 4.24Å; Y159-M163 HydrophobicContact CE1-CG 3.58Å; Y159-M163 HydrophobicContact CE1-SD 4.46Å; Y159-M163 HydrophobicContact CE2-CE 3.84Å; Y159-M163 HydrophobicContact CE2-CG 3.8Å; Y159-M163 HydrophobicContact CE2-SD 3.97Å; Y159-M163 HydrophobicContact CG-CG 4.35Å; Y159-M163 VanDerWaalsContact CZ-CG 3.45Å; Y159-M163 WeakPolarHBondContact O-CB 3.3Å; Y159-M163 WeakPolarHBondContact O-CG 3.37Å; Y159-M163 PolarHBondContact O-N 2.94Å |
| 160 | S | 92.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | I156 V157 G158 M163 F164 | I156-S160 PolarHBondContact O-N 3.46Å; I156-S160 PolarHBondContact O-OG 2.9Å; V157-S160 PolarHBondContact O-N 2.88Å; G158-S160 PolarHBondContact O-N 3.41Å; S160-M163 PolarHBondContact O-N 3.2Å; S160-F164 WeakPolarHBondContact O-CB 3.4Å; S160-F164 WeakPolarHBondContact O-CD2 3.47Å; S160-F164 WeakPolarHBondContact O-CG 3.34Å; S160-F164 PolarHBondContact O-N 2.9Å |
| 161 | V | 93.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | V157 G158 Y159 F164 T165 A180 F183 | V157-V161 WeakPolarHBondContact O-CG2 3.45Å; V157-V161 PolarHBondContact O-N 3.5Å; G158-V161 PolarHBondContact O-N 3.46Å; Y159-V161 VanDerWaalsContact C-N 3.33Å; Y159-V161 PolarHBondContact O-N 2.87Å; V161-F164 PolarHBondContact O-N 3.17Å; V161-T165 WeakPolarHBondContact O-CB 3.46Å; V161-T165 PolarHBondContact O-N 2.93Å; V161-T165 PolarHBondContact O-OG1 3.39Å; V161-A180 WeakPolarHBondContact CG1-O 3.27Å; V161-F183 HydrophobicContact CG1-CD1 4.27Å; V161-F183 HydrophobicContact CG2-CD1 4.49Å |
| 162 | V | 93.9 | Very high | 89.8 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | G158 Y159 F164 T165 L166 M181 V185 L188 | G158-V162 WeakPolarHBondContact O-CG2 3.43Å; G158-V162 PolarHBondContact O-N 3.06Å; Y159-V162 PolarHBondContact O-N 3.23Å; V162-F164 PolarHBondContact O-N 2.95Å; V162-T165 PolarHBondContact O-N 3.43Å; V162-L166 HydrophobicContact CG1-CD1 4.16Å; V162-L166 HydrophobicContact CG1-CG 4.41Å; V162-L166 WeakPolarHBondContact O-CG 3.34Å; V162-L166 PolarHBondContact O-N 2.88Å; V162-M181 HydrophobicContact CG1-CE 4.07Å; V162-M181 HydrophobicContact CG1-SD 4.14Å; V162-V185 HydrophobicContact CG2-CG2 4.12Å; V162-L188 HydrophobicContact CB-CD1 4.45Å; V162-L188 HydrophobicContact CG2-CD1 3.76Å |
| 163 | M | 92.7 | Very high | 89.6 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 178.2 | -70.9 | -59.4 | 102.4 | 0 | 0 | 111.9 | Y159 S160 T165 L166 F167 | Y159-M163 HydrophobicContact CD1-CG 4.04Å; Y159-M163 HydrophobicContact CD2-CE 4.41Å; Y159-M163 HydrophobicContact CD2-CG 4.24Å; Y159-M163 HydrophobicContact CE1-CG 3.58Å; Y159-M163 HydrophobicContact CE1-SD 4.46Å; Y159-M163 HydrophobicContact CE2-CE 3.84Å; Y159-M163 HydrophobicContact CE2-CG 3.8Å; Y159-M163 HydrophobicContact CE2-SD 3.97Å; Y159-M163 HydrophobicContact CG-CG 4.35Å; Y159-M163 VanDerWaalsContact CZ-CG 3.45Å; Y159-M163 WeakPolarHBondContact O-CB 3.3Å; Y159-M163 WeakPolarHBondContact O-CG 3.37Å; Y159-M163 PolarHBondContact O-N 2.94Å; S160-M163 PolarHBondContact O-N 3.2Å; M163-T165 PolarHBondContact O-N 3.37Å; M163-L166 HydrophobicContact CE-CD1 3.71Å; M163-L166 PolarHBondContact O-N 3.06Å; M163-F167 HydrophobicContact CB-CD2 4.48Å; M163-F167 HydrophobicContact CB-CE2 4.37Å; M163-F167 WeakPolarHBondContact O-CD2 3.31Å; M163-F167 PolarHBondContact O-N 2.97Å |
| 164 | F | 91.8 | Very high | 89.2 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -33.2 | 177.5 | -67.8 | -32.9 | 0 | 0 | 0 | 113 | S160 V161 V162 G168 I169 | S160-F164 WeakPolarHBondContact O-CB 3.4Å; S160-F164 WeakPolarHBondContact O-CD2 3.47Å; S160-F164 WeakPolarHBondContact O-CG 3.34Å; S160-F164 PolarHBondContact O-N 2.9Å; V161-F164 PolarHBondContact O-N 3.17Å; V162-F164 PolarHBondContact O-N 2.95Å; F164-G168 PolarHBondContact O-N 3.26Å; F164-I169 HydrophobicContact CB-CB 4.26Å; F164-I169 HydrophobicContact CD1-CD1 3.69Å; F164-I169 HydrophobicContact CE1-CD1 4.34Å; F164-I169 HydrophobicContact CG-CD1 4.48Å; F164-I169 WeakPolarHBondContact O-CB 3.38Å; F164-I169 PolarHBondContact O-N 2.89Å |
| 165 | T | 90.9 | Very high | 89 | Confident | 13 Ų | 13 | 78 Ų | 78 | 8% | 0.08 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | V161 V162 M163 F167 G168 N170 P177 A180 M181 | V161-T165 WeakPolarHBondContact O-CB 3.46Å; V161-T165 PolarHBondContact O-N 2.93Å; V161-T165 PolarHBondContact O-OG1 3.39Å; V162-T165 PolarHBondContact O-N 3.43Å; M163-T165 PolarHBondContact O-N 3.37Å; T165-F167 VanDerWaalsContact C-N 3.35Å; T165-F167 PolarHBondContact O-N 3.13Å; T165-G168 PolarHBondContact O-N 2.84Å; T165-G168 VanDerWaalsContact O-N 3.11Å; T165-N170 HydrophobicContact CG2-CB 4.45Å; T165-P177 HydrophobicContact CG2-CB 4.25Å; T165-A180 HydrophobicContact CG2-CB 3.97Å; T165-A180 WeakPolarHBondContact OG1-CB 3.36Å; T165-M181 HydrophobicContact CG2-CG 3.58Å; T165-M181 HydrophobicContact CG2-SD 3.68Å |
| 166 | L | 89.8 | Confident | 88.9 | Confident | 114 Ų | 114 | 83 Ų | 83 | 60% | 0.597 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.8 | -34.4 | 176.2 | -68.3 | 178 | 0 | 0 | 0 | 113.1 | V162 M163 G168 M181 | V162-L166 HydrophobicContact CG1-CD1 4.16Å; V162-L166 HydrophobicContact CG1-CG 4.41Å; V162-L166 WeakPolarHBondContact O-CG 3.34Å; V162-L166 PolarHBondContact O-N 2.88Å; M163-L166 HydrophobicContact CE-CD1 3.71Å; M163-L166 PolarHBondContact O-N 3.06Å; L166-G168 PolarHBondContact O-N 3.49Å; L166-M181 HydrophobicContact CD2-CE 4.46Å; L166-M181 HydrophobicContact CD2-SD 4.48Å |
| 167 | F | 91 | Very high | 88.8 | Confident | 158 Ų | 158 | 82.3 Ų | 82.3 | 69% | 0.693 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.6 | 174.1 | -69 | -62.7 | 0 | 0 | 0 | 113.7 | M163 T165 I169 | M163-F167 HydrophobicContact CB-CD2 4.48Å; M163-F167 HydrophobicContact CB-CE2 4.37Å; M163-F167 WeakPolarHBondContact O-CD2 3.31Å; M163-F167 PolarHBondContact O-N 2.97Å; T165-F167 VanDerWaalsContact C-N 3.35Å; T165-F167 PolarHBondContact O-N 3.13Å; F167-I169 HydrophobicContact CB-CD1 4.11Å; F167-I169 HydrophobicContact CB-CG1 4.34Å; F167-I169 PolarHBondContact O-N 3.21Å |
| 168 | G | 85.8 | Confident | 88.6 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 27% | 0.268 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 10.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F164 T165 L166 N170 L171 | F164-G168 PolarHBondContact O-N 3.26Å; T165-G168 PolarHBondContact O-N 2.84Å; T165-G168 VanDerWaalsContact O-N 3.11Å; L166-G168 PolarHBondContact O-N 3.49Å; G168-N170 WeakPolarHBondContact CA-OD1 3.32Å; G168-N170 PolarHBondContact O-N 3.11Å; G168-L171 WeakPolarHBondContact O-CB 3.32Å; G168-L171 PolarHBondContact O-N 3.23Å |
| 169 | I | 85.5 | Confident | 88.4 | Confident | 58 Ų | 58 | 88.1 Ų | 88.1 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -67.7 | -28.2 | 178.7 | -67.5 | 162.4 | 0 | 0 | 0 | 110.7 | F164 F167 L171 I172 F173 | F164-I169 HydrophobicContact CB-CB 4.26Å; F164-I169 HydrophobicContact CD1-CD1 3.69Å; F164-I169 HydrophobicContact CE1-CD1 4.34Å; F164-I169 HydrophobicContact CG-CD1 4.48Å; F164-I169 WeakPolarHBondContact O-CB 3.38Å; F164-I169 PolarHBondContact O-N 2.89Å; F167-I169 HydrophobicContact CB-CD1 4.11Å; F167-I169 HydrophobicContact CB-CG1 4.34Å; F167-I169 PolarHBondContact O-N 3.21Å; I169-L171 PolarHBondContact O-N 3.17Å; I169-I172 HydrophobicContact CG2-CD1 4.38Å; I169-I172 VanDerWaalsContact O-CB 3.26Å; I169-I172 WeakPolarHBondContact O-CB 3.37Å; I169-I172 PolarHBondContact O-N 2.89Å; I169-F173 HydrophobicContact CG2-CD2 4.45Å; I169-F173 HydrophobicContact CG2-CE2 3.95Å; I169-F173 WeakPolarHBondContact O-CD2 3.29Å |
| 170 | N | 79.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 82.2 Ų | 82.2 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -57.1 | -29.7 | 173.1 | 68.7 | -43.1 | 0 | 0 | 0 | 113.3 | T165 G168 I172 F173 R174 I175 P177 A180 | T165-N170 HydrophobicContact CG2-CB 4.45Å; G168-N170 WeakPolarHBondContact CA-OD1 3.32Å; G168-N170 PolarHBondContact O-N 3.11Å; N170-I172 VanDerWaalsContact C-N 3.28Å; N170-I172 PolarHBondContact O-N 2.89Å; N170-F173 PolarHBondContact O-N 3.35Å; N170-R174 PolarHBondContact O-N 2.69Å; N170-I175 PolarHBondContact ND2-O 3.14Å; N170-I175 PolarHBondContact O-N 3.14Å; N170-I175 VanDerWaalsContact O-N 3.12Å; N170-P177 WeakPolarHBondContact ND2-CA 3.49Å; N170-P177 WeakPolarHBondContact ND2-CG 3.48Å; N170-A180 HydrophobicContact CB-CB 4.32Å |
| 171 | L | 77.2 | Confident | 88.3 | Confident | 110 Ų | 110 | 82.8 Ų | 82.8 | 58% | 0.576 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -67.1 | -29.4 | 176.9 | -60.1 | 174.8 | 0 | 0 | 0 | 111.9 | G168 I169 F173 R174 P177 | G168-L171 WeakPolarHBondContact O-CB 3.32Å; G168-L171 PolarHBondContact O-N 3.23Å; I169-L171 PolarHBondContact O-N 3.17Å; L171-F173 VanDerWaalsContact C-N 3.26Å; L171-F173 PolarHBondContact O-N 3.43Å; L171-R174 PolarHBondContact O-N 3.31Å; L171-P177 HydrophobicContact CD2-CG 4.13Å |
| 172 | I | 85.4 | Confident | 88.3 | Confident | 130 Ų | 130 | 86.3 Ų | 86.3 | 67% | 0.667 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -38 | 174.7 | -58.7 | 176.2 | 0 | 0 | 0 | 110.1 | I169 N170 R174 | I169-I172 HydrophobicContact CG2-CD1 4.38Å; I169-I172 VanDerWaalsContact O-CB 3.26Å; I169-I172 WeakPolarHBondContact O-CB 3.37Å; I169-I172 PolarHBondContact O-N 2.89Å; N170-I172 VanDerWaalsContact C-N 3.28Å; N170-I172 PolarHBondContact O-N 2.89Å; I172-R174 VanDerWaalsContact C-N 3.25Å; I172-R174 PolarHBondContact O-N 2.99Å |
| 173 | F | 83.1 | Confident | 88.2 | Confident | 145 Ų | 145 | 91.4 Ų | 91.4 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4.9 | 176.7 | -61.5 | -75.7 | 0 | 0 | 0 | 113.5 | I169 N170 L171 I175 | I169-F173 HydrophobicContact CG2-CD2 4.45Å; I169-F173 HydrophobicContact CG2-CE2 3.95Å; I169-F173 WeakPolarHBondContact O-CD2 3.29Å; N170-F173 PolarHBondContact O-N 3.35Å; L171-F173 VanDerWaalsContact C-N 3.26Å; L171-F173 PolarHBondContact O-N 3.43Å; F173-I175 HydrophobicContact CB-CD1 3.98Å; F173-I175 HydrophobicContact CB-CG1 3.99Å; F173-I175 PolarHBondContact O-N 3.07Å |
| 174 | R | 83.5 | Confident | 88.2 | Confident | 239 Ų | 239 | 89.1 Ų | 89.1 | 90% | 0.902 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 28.8 | -175.1 | -60.5 | -179.2 | 171.5 | 174 | -2.6 | 113.6 | N170 L171 I172 | N170-R174 PolarHBondContact O-N 2.69Å; L171-R174 PolarHBondContact O-N 3.31Å; I172-R174 VanDerWaalsContact C-N 3.25Å; I172-R174 PolarHBondContact O-N 2.99Å |
| 175 | I | 88.1 | Confident | 88.3 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 43% | 0.431 | 43% | 0.43 | S | S | . | . | trans | -91.6 | 132.2 | 174.7 | -57.1 | 174.9 | 0 | 0 | 0 | 107.7 | N170 F173 A180 | N170-I175 PolarHBondContact ND2-O 3.14Å; N170-I175 PolarHBondContact O-N 3.14Å; N170-I175 VanDerWaalsContact O-N 3.12Å; F173-I175 HydrophobicContact CB-CD1 3.98Å; F173-I175 HydrophobicContact CB-CG1 3.99Å; F173-I175 PolarHBondContact O-N 3.07Å; I175-A180 HydrophobicContact CG2-CB 4.02Å | ||
| 176 | K | 89.6 | Confident | 88.4 | Confident | 118 Ų | 118 | 88.6 Ų | 88.6 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | trans | -63.7 | 139.9 | 177.5 | -61.3 | -171.4 | -179.7 | 175.7 | 0 | 110.9 | E178 D179 A180 | K176-E178 VanDerWaalsContact C-N 3.27Å; K176-E178 HydrophobicContact CB-CG 3.79Å; K176-E178 HydrophobicContact CD-CG 4.08Å; K176-E178 WeakPolarHBondContact CD-OE1 3.49Å; K176-E178 IonicContact NZ-OE1 2.89Å; K176-E178 PolarHBondContact NZ-OE1 3.32Å; K176-E178 PolarHBondContact O-N 3.36Å; K176-D179 PolarHBondContact O-N 3.45Å; K176-A180 PolarHBondContact O-N 2.96Å | ||
| 177 | P | 89.1 | Confident | 88.6 | Confident | 64 Ų | 64 | 84.8 Ų | 84.8 | 42% | 0.416 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.5 | -37 | 177.7 | -23.4 | 31.6 | 0 | 0 | 0 | 114.1 | T165 N170 L171 A180 M181 | T165-P177 HydrophobicContact CG2-CB 4.25Å; N170-P177 WeakPolarHBondContact ND2-CA 3.49Å; N170-P177 WeakPolarHBondContact ND2-CG 3.48Å; L171-P177 HydrophobicContact CD2-CG 4.13Å; P177-A180 PolarHBondContact O-N 3Å; P177-M181 VanDerWaalsContact O-CB 3.32Å; P177-M181 WeakPolarHBondContact O-CB 3.21Å; P177-M181 VanDerWaalsContact O-CG 3.24Å; P177-M181 WeakPolarHBondContact O-CG 3.08Å; P177-M181 PolarHBondContact O-N 2.94Å |
| 178 | E | 90 | Very high | 88.7 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.1 | -56.9 | 175.7 | 52.2 | -173.1 | -174 | 0 | 0 | 111.9 | K176 A180 M181 D182 | K176-E178 VanDerWaalsContact C-N 3.27Å; K176-E178 HydrophobicContact CB-CG 3.79Å; K176-E178 HydrophobicContact CD-CG 4.08Å; K176-E178 WeakPolarHBondContact CD-OE1 3.49Å; K176-E178 IonicContact NZ-OE1 2.89Å; K176-E178 PolarHBondContact NZ-OE1 3.32Å; K176-E178 PolarHBondContact O-N 3.36Å; E178-A180 VanDerWaalsContact C-N 3.33Å; E178-A180 PolarHBondContact O-N 3.49Å; E178-M181 PolarHBondContact O-N 3.32Å; E178-D182 WeakPolarHBondContact O-CB 3.45Å; E178-D182 PolarHBondContact O-N 3.15Å |
| 179 | D | 90.9 | Very high | 89 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | -177.5 | -61.3 | -38.1 | 0 | 0 | 0 | 112.3 | K176 F183 | K176-D179 PolarHBondContact O-N 3.45Å; D179-F183 WeakPolarHBondContact O-CB 3.43Å; D179-F183 PolarHBondContact O-N 3.31Å |
| 180 | A | 91.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 79.5 Ų | 79.5 | 8% | 0.083 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V161 T165 N170 I175 K176 P177 E178 G184 | V161-A180 WeakPolarHBondContact CG1-O 3.27Å; T165-A180 HydrophobicContact CG2-CB 3.97Å; T165-A180 WeakPolarHBondContact OG1-CB 3.36Å; N170-A180 HydrophobicContact CB-CB 4.32Å; I175-A180 HydrophobicContact CG2-CB 4.02Å; K176-A180 PolarHBondContact O-N 2.96Å; P177-A180 PolarHBondContact O-N 3Å; E178-A180 VanDerWaalsContact C-N 3.33Å; E178-A180 PolarHBondContact O-N 3.49Å; A180-G184 PolarHBondContact O-N 3.46Å |
| 181 | M | 92.7 | Very high | 90 | Very high | 55 Ų | 55 | 79.1 Ų | 79.1 | 27% | 0.271 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 174.2 | -75.3 | -60.1 | -73 | 0 | 0 | 111 | V162 T165 L166 P177 E178 F183 G184 V185 | V162-M181 HydrophobicContact CG1-CE 4.07Å; V162-M181 HydrophobicContact CG1-SD 4.14Å; T165-M181 HydrophobicContact CG2-CG 3.58Å; T165-M181 HydrophobicContact CG2-SD 3.68Å; L166-M181 HydrophobicContact CD2-CE 4.46Å; L166-M181 HydrophobicContact CD2-SD 4.48Å; P177-M181 VanDerWaalsContact O-CB 3.32Å; P177-M181 WeakPolarHBondContact O-CB 3.21Å; P177-M181 VanDerWaalsContact O-CG 3.24Å; P177-M181 WeakPolarHBondContact O-CG 3.08Å; P177-M181 PolarHBondContact O-N 2.94Å; E178-M181 PolarHBondContact O-N 3.32Å; M181-F183 VanDerWaalsContact C-N 3.31Å; M181-F183 PolarHBondContact O-N 3.26Å; M181-G184 PolarHBondContact O-N 3.13Å; M181-V185 WeakPolarHBondContact O-CB 3.33Å; M181-V185 VanDerWaalsContact O-CG2 3.29Å; M181-V185 WeakPolarHBondContact O-CG2 3.47Å; M181-V185 PolarHBondContact O-N 3.24Å |
| 182 | D | 91.7 | Very high | 90.7 | Very high | 106 Ų | 106 | 75.7 Ų | 75.7 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 179.5 | -79.5 | -6.9 | 0 | 0 | 0 | 111.6 | E178 S186 | E178-D182 WeakPolarHBondContact O-CB 3.45Å; E178-D182 PolarHBondContact O-N 3.15Å; D182-S186 WeakPolarHBondContact O-CB 3.37Å; D182-S186 PolarHBondContact O-N 3.22Å; D182-S186 PolarHBondContact O-OG 2.9Å |
| 183 | F | 92.4 | Very high | 91 | Very high | 123 Ų | 123 | 69.5 Ų | 69.5 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 175.2 | -177.8 | -108.6 | 0 | 0 | 0 | 112.2 | V161 D179 M181 S186 L187 | V161-F183 HydrophobicContact CG1-CD1 4.27Å; V161-F183 HydrophobicContact CG2-CD1 4.49Å; D179-F183 WeakPolarHBondContact O-CB 3.43Å; D179-F183 PolarHBondContact O-N 3.31Å; M181-F183 VanDerWaalsContact C-N 3.31Å; M181-F183 PolarHBondContact O-N 3.26Å; F183-S186 PolarHBondContact O-N 2.91Å; F183-L187 HydrophobicContact CD1-CD1 4.05Å; F183-L187 HydrophobicContact CE1-CD1 3.45Å; F183-L187 VanDerWaalsContact CE1-CD1 3.45Å; F183-L187 HydrophobicContact CE1-CG 4.29Å; F183-L187 HydrophobicContact CE2-CD1 4.28Å; F183-L187 HydrophobicContact CE2-CG 4.35Å; F183-L187 HydrophobicContact CZ-CD1 3.58Å; F183-L187 HydrophobicContact CZ-CD2 4.45Å; F183-L187 HydrophobicContact CZ-CG 4.13Å; F183-L187 WeakPolarHBondContact O-CG 3.45Å; F183-L187 PolarHBondContact O-N 2.65Å |
| 184 | G | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A180 M181 L187 L188 | A180-G184 PolarHBondContact O-N 3.46Å; M181-G184 PolarHBondContact O-N 3.13Å; G184-L187 PolarHBondContact O-N 2.92Å; G184-L188 WeakPolarHBondContact O-CG 3.23Å; G184-L188 PolarHBondContact O-N 3.18Å |
| 185 | V | 93.3 | Very high | 91.8 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.467 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | V162 M181 L187 L188 F189 | V162-V185 HydrophobicContact CG2-CG2 4.12Å; M181-V185 WeakPolarHBondContact O-CB 3.33Å; M181-V185 VanDerWaalsContact O-CG2 3.29Å; M181-V185 WeakPolarHBondContact O-CG2 3.47Å; M181-V185 PolarHBondContact O-N 3.24Å; V185-L187 PolarHBondContact O-N 3.29Å; V185-L188 WeakPolarHBondContact O-CB 3.49Å; V185-L188 PolarHBondContact O-N 3.28Å; V185-F189 WeakPolarHBondContact O-CB 3.42Å; V185-F189 PolarHBondContact O-N 3.3Å |
| 186 | S | 92.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.8 | -67.1 | 0 | 0 | 0 | 0 | 112 | D182 F183 F189 Y190 | D182-S186 WeakPolarHBondContact O-CB 3.37Å; D182-S186 PolarHBondContact O-N 3.22Å; D182-S186 PolarHBondContact O-OG 2.9Å; F183-S186 PolarHBondContact O-N 2.91Å; S186-F189 PolarHBondContact O-N 3.29Å; S186-Y190 WeakPolarHBondContact O-CD2 3.4Å; S186-Y190 PolarHBondContact O-N 3.47Å |
| 187 | L | 94.4 | Very high | 92 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 176 | -74 | -179.8 | 0 | 0 | 0 | 111.9 | T154 V157 F183 G184 V185 F189 Y190 G191 | T154-L187 HydrophobicContact CG2-CB 4.29Å; T154-L187 HydrophobicContact CG2-CD2 3.96Å; T154-L187 WeakPolarHBondContact CG2-O 3.36Å; V157-L187 HydrophobicContact CG1-CD1 3.92Å; F183-L187 HydrophobicContact CD1-CD1 4.05Å; F183-L187 HydrophobicContact CE1-CD1 3.45Å; F183-L187 VanDerWaalsContact CE1-CD1 3.45Å; F183-L187 HydrophobicContact CE1-CG 4.29Å; F183-L187 HydrophobicContact CE2-CD1 4.28Å; F183-L187 HydrophobicContact CE2-CG 4.35Å; F183-L187 HydrophobicContact CZ-CD1 3.58Å; F183-L187 HydrophobicContact CZ-CD2 4.45Å; F183-L187 HydrophobicContact CZ-CG 4.13Å; F183-L187 WeakPolarHBondContact O-CG 3.45Å; F183-L187 PolarHBondContact O-N 2.65Å; G184-L187 PolarHBondContact O-N 2.92Å; V185-L187 PolarHBondContact O-N 3.29Å; L187-F189 VanDerWaalsContact C-N 3.32Å; L187-F189 PolarHBondContact O-N 2.81Å; L187-Y190 PolarHBondContact O-N 3.4Å; L187-G191 PolarHBondContact O-N 2.98Å |
| 188 | L | 93.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 20% | 0.204 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 173.9 | -81.8 | 171.2 | 0 | 0 | 0 | 111.4 | G155 V162 G184 V185 G191 L192 | G155-L188 VanDerWaalsContact O-CD2 3.32Å; G155-L188 WeakPolarHBondContact O-CD2 3.49Å; V162-L188 HydrophobicContact CB-CD1 4.45Å; V162-L188 HydrophobicContact CG2-CD1 3.76Å; G184-L188 WeakPolarHBondContact O-CG 3.23Å; G184-L188 PolarHBondContact O-N 3.18Å; V185-L188 WeakPolarHBondContact O-CB 3.49Å; V185-L188 PolarHBondContact O-N 3.28Å; L188-G191 PolarHBondContact O-N 2.88Å; L188-L192 VanDerWaalsContact O-CB 3.3Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 VanDerWaalsContact O-CG 3.24Å; L188-L192 WeakPolarHBondContact O-CG 3.37Å; L188-L192 PolarHBondContact O-N 3.2Å |
| 189 | F | 92.3 | Very high | 92 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 23% | 0.232 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 177.2 | 175.3 | -105.2 | 0 | 0 | 0 | 111.3 | F109 V185 S186 L187 G191 L192 Y193 V312 | F109-F189 AromaticContact CD2-CE1 3.84Å; F109-F189 HydrophobicContact CD2-CE1 3.84Å; F109-F189 AromaticContact CE2-CE1 3.55Å; F109-F189 HydrophobicContact CE2-CE1 3.55Å; F109-F189 HydrophobicContact CE2-CZ 4.09Å; V185-F189 WeakPolarHBondContact O-CB 3.42Å; V185-F189 PolarHBondContact O-N 3.3Å; S186-F189 PolarHBondContact O-N 3.29Å; L187-F189 VanDerWaalsContact C-N 3.32Å; L187-F189 PolarHBondContact O-N 2.81Å; F189-G191 PolarHBondContact O-N 2.95Å; F189-L192 PolarHBondContact O-N 3.24Å; F189-Y193 HydrophobicContact CZ-CD2 4.47Å; F189-Y193 HydrophobicContact CZ-CG 4.32Å; F189-Y193 WeakPolarHBondContact O-CA 3.27Å; F189-Y193 WeakPolarHBondContact O-CB 3.45Å; F189-Y193 PolarHBondContact O-N 3.25Å; F189-V312 HydrophobicContact CE2-CG2 4.4Å |
| 190 | Y | 92.8 | Very high | 91.9 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.4 | -76.5 | -59.9 | 0 | 0 | 0 | 112.9 | F109 S186 L187 Y194 | F109-Y190 WeakPolarHBondContact CA-OH 3.39Å; F109-Y190 HydrophobicContact CB-CE1 4.38Å; F109-Y190 HydrophobicContact CD2-CD1 4.3Å; F109-Y190 AromaticContact CD2-CE1 3.56Å; F109-Y190 HydrophobicContact CD2-CE1 3.56Å; F109-Y190 HydrophobicContact CE2-CE1 4.32Å; F109-Y190 HydrophobicContact CG-CE1 4.39Å; F109-Y190 PolarHBondContact N-OH 2.91Å; S186-Y190 WeakPolarHBondContact O-CD2 3.4Å; S186-Y190 PolarHBondContact O-N 3.47Å; L187-Y190 PolarHBondContact O-N 3.4Å; Y190-Y194 HydrophobicContact CD1-CD2 4.28Å; Y190-Y194 AromaticContact CD1-CE2 3.65Å; Y190-Y194 HydrophobicContact CD1-CE2 3.65Å; Y190-Y194 HydrophobicContact CE1-CE2 4.33Å; Y190-Y194 WeakPolarHBondContact O-CB 3.48Å; Y190-Y194 VanDerWaalsContact O-CD2 3.29Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.46Å; Y190-Y194 PolarHBondContact O-N 3.28Å; Y190-Y194 VanDerWaalsContact O-N 3.11Å |
| 191 | G | 92.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S151 L187 L188 F189 G195 | S151-G191 VanDerWaalsContact CB-O 3.27Å; S151-G191 WeakPolarHBondContact CB-O 3.12Å; S151-G191 WeakPolarHBondContact O-CA 3.37Å; L187-G191 PolarHBondContact O-N 2.98Å; L188-G191 PolarHBondContact O-N 2.88Å; F189-G191 PolarHBondContact O-N 2.95Å; G191-G195 PolarHBondContact O-N 2.8Å |
| 192 | L | 91.4 | Very high | 91.8 | Very high | 38 Ų | 38 | 32.8 Ų | 32.8 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.2 | -44.2 | -179.7 | -65.7 | 174.9 | 0 | 0 | 0 | 112 | L188 F189 G195 V196 L304 L308 | L188-L192 VanDerWaalsContact O-CB 3.3Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 VanDerWaalsContact O-CG 3.24Å; L188-L192 WeakPolarHBondContact O-CG 3.37Å; L188-L192 PolarHBondContact O-N 3.2Å; F189-L192 PolarHBondContact O-N 3.24Å; L192-G195 PolarHBondContact O-N 3.21Å; L192-V196 WeakPolarHBondContact O-CG2 3.45Å; L192-V196 PolarHBondContact O-N 3.47Å; L192-L304 HydrophobicContact CD2-CD2 3.99Å; L192-L308 HydrophobicContact CB-CD2 3.64Å; L192-L308 WeakPolarHBondContact O-CD2 3.5Å |
| 193 | Y | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -54.9 | -178.6 | 176.2 | -110.4 | 0 | 0 | 0 | 112.2 | M93 P97 F109 W113 F189 G195 V196 L197 V312 | M93-Y193 HydrophobicContact CE-CD2 3.85Å; M93-Y193 HydrophobicContact CE-CE2 3.92Å; M93-Y193 WeakPolarHBondContact O-CE2 3.28Å; M93-Y193 PolarHBondContact O-OH 3.25Å; P97-Y193 HydrophobicContact CB-CE2 4.34Å; P97-Y193 HydrophobicContact CG-CE2 3.73Å; F109-Y193 AromaticContact CE2-CD1 3.86Å; F109-Y193 HydrophobicContact CE2-CD1 3.86Å; F109-Y193 AromaticContact CE2-CE1 3.75Å; F109-Y193 HydrophobicContact CE2-CE1 3.75Å; F109-Y193 HydrophobicContact CZ-CD1 4.07Å; F109-Y193 AromaticContact CZ-CE1 3.47Å; F109-Y193 HydrophobicContact CZ-CE1 3.47Å; F109-Y193 VanDerWaalsContact CZ-CE1 3.47Å; F109-Y193 AromaticContact CZ-CZ 3.87Å; W113-Y193 PolarHBondContact NE1-OH 3.07Å; F189-Y193 HydrophobicContact CZ-CD2 4.47Å; F189-Y193 HydrophobicContact CZ-CG 4.32Å; F189-Y193 WeakPolarHBondContact O-CA 3.27Å; F189-Y193 WeakPolarHBondContact O-CB 3.45Å; F189-Y193 PolarHBondContact O-N 3.25Å; Y193-G195 PolarHBondContact O-N 2.9Å; Y193-V196 PolarHBondContact O-N 3.47Å; Y193-L197 HydrophobicContact CD1-CD1 4.25Å; Y193-L197 HydrophobicContact CE1-CD1 3.59Å; Y193-L197 HydrophobicContact CE2-CD1 3.89Å; Y193-L197 HydrophobicContact CE2-CG 4.32Å; Y193-L197 PolarHBondContact O-N 3.27Å; Y193-L197 VanDerWaalsContact O-N 3.08Å; Y193-V312 HydrophobicContact CE2-CG1 4.5Å |
| 194 | Y | 93 | Very high | 91.4 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.1 | -27 | 176.9 | -69.1 | -56.6 | 0 | 0 | 0 | 112.2 | T112 W113 F116 Y190 G198 | T112-Y194 WeakPolarHBondContact CB-OH 3.38Å; T112-Y194 PolarHBondContact OG1-OH 2.96Å; W113-Y194 VanDerWaalsContact CA-OH 3.25Å; W113-Y194 WeakPolarHBondContact CA-OH 3.47Å; W113-Y194 PolarHBondContact N-OH 2.91Å; F116-Y194 HydrophobicContact CB-CD1 4.21Å; F116-Y194 HydrophobicContact CB-CE1 3.68Å; F116-Y194 AromaticContact CD1-CD1 3.93Å; F116-Y194 HydrophobicContact CD1-CD1 3.93Å; F116-Y194 AromaticContact CD1-CE1 3.84Å; F116-Y194 HydrophobicContact CD1-CE1 3.84Å; F116-Y194 AromaticContact CD2-CD1 3.72Å; F116-Y194 HydrophobicContact CD2-CD1 3.72Å; F116-Y194 HydrophobicContact CD2-CE1 4.08Å; F116-Y194 HydrophobicContact CE1-CD1 4.25Å; F116-Y194 HydrophobicContact CE2-CD1 4.06Å; F116-Y194 AromaticContact CG-CD1 3.64Å; F116-Y194 HydrophobicContact CG-CD1 3.64Å; F116-Y194 AromaticContact CG-CE1 3.56Å; F116-Y194 HydrophobicContact CG-CE1 3.56Å; F116-Y194 HydrophobicContact CZ-CD1 4.32Å; Y190-Y194 HydrophobicContact CD1-CD2 4.28Å; Y190-Y194 AromaticContact CD1-CE2 3.65Å; Y190-Y194 HydrophobicContact CD1-CE2 3.65Å; Y190-Y194 HydrophobicContact CE1-CE2 4.33Å; Y190-Y194 WeakPolarHBondContact O-CB 3.48Å; Y190-Y194 VanDerWaalsContact O-CD2 3.29Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.46Å; Y190-Y194 PolarHBondContact O-N 3.28Å; Y190-Y194 VanDerWaalsContact O-N 3.11Å; Y194-G198 WeakPolarHBondContact O-CA 3.28Å; Y194-G198 PolarHBondContact O-N 2.93Å |
| 195 | G | 90.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 6% | 0.062 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S151 G191 L192 Y193 R199 | S151-G195 PolarHBondContact OG-N 3.11Å; G191-G195 PolarHBondContact O-N 2.8Å; L192-G195 PolarHBondContact O-N 3.21Å; Y193-G195 PolarHBondContact O-N 2.9Å; G195-R199 WeakPolarHBondContact O-CB 3.19Å; G195-R199 PolarHBondContact O-N 2.86Å; G195-R199 VanDerWaalsContact O-N 3.11Å |
| 196 | V | 89.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.9 | -54.1 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | M93 L192 Y193 G198 R199 D200 L305 L308 R309 | M93-V196 HydrophobicContact CE-CB 4.11Å; M93-V196 HydrophobicContact CE-CG1 3.81Å; L192-V196 WeakPolarHBondContact O-CG2 3.45Å; L192-V196 PolarHBondContact O-N 3.47Å; Y193-V196 PolarHBondContact O-N 3.47Å; V196-G198 VanDerWaalsContact C-N 3.33Å; V196-G198 PolarHBondContact O-N 3.16Å; V196-R199 PolarHBondContact O-N 3.4Å; V196-D200 PolarHBondContact O-N 3.29Å; V196-L305 HydrophobicContact CB-CD2 4.37Å; V196-L305 HydrophobicContact CG2-CB 3.86Å; V196-L305 HydrophobicContact CG2-CD2 3.29Å; V196-L305 HydrophobicContact CG2-CG 4.03Å; V196-L308 HydrophobicContact CB-CD2 4.42Å; V196-L308 HydrophobicContact CG2-CB 4.17Å; V196-L308 HydrophobicContact CG2-CD2 3.45Å; V196-L308 VanDerWaalsContact CG2-CD2 3.45Å; V196-L308 HydrophobicContact CG2-CG 4.33Å; V196-R309 HydrophobicContact CG1-CG 3.62Å |
| 197 | L | 91.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | -178.4 | -75 | -179.5 | 0 | 0 | 0 | 111.4 | L90 M93 F116 Y193 R199 D200 F201 | L90-L197 HydrophobicContact CD1-CD2 3.83Å; M93-L197 HydrophobicContact CB-CD2 3.87Å; F116-L197 HydrophobicContact CD1-CD1 4.46Å; F116-L197 HydrophobicContact CE1-CB 4Å; F116-L197 HydrophobicContact CE1-CD1 3.83Å; F116-L197 HydrophobicContact CZ-CB 3.88Å; F116-L197 HydrophobicContact CZ-CD1 4.49Å; Y193-L197 HydrophobicContact CD1-CD1 4.25Å; Y193-L197 HydrophobicContact CE1-CD1 3.59Å; Y193-L197 HydrophobicContact CE2-CD1 3.89Å; Y193-L197 HydrophobicContact CE2-CG 4.32Å; Y193-L197 PolarHBondContact O-N 3.27Å; Y193-L197 VanDerWaalsContact O-N 3.08Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 2.95Å; L197-D200 PolarHBondContact O-N 3.5Å; L197-F201 VanDerWaalsContact O-CD2 3.31Å; L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 3.01Å |
| 198 | G | 90.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.4 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | F144 Y194 V196 A202 | F144-G198 VanDerWaalsContact CD1-O 3.31Å; F144-G198 WeakPolarHBondContact CD1-O 3.29Å; Y194-G198 WeakPolarHBondContact O-CA 3.28Å; Y194-G198 PolarHBondContact O-N 2.93Å; V196-G198 VanDerWaalsContact C-N 3.33Å; V196-G198 PolarHBondContact O-N 3.16Å; G198-A202 WeakPolarHBondContact O-CB 3.36Å; G198-A202 PolarHBondContact O-N 2.87Å |
| 199 | R | 87.9 | Confident | 90.3 | Very high | 65 Ų | 65 | 23.6 Ų | 23.6 | 25% | 0.245 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.6 | 176.8 | -178.6 | 170.9 | 127.3 | -1 | 112.3 | G195 V196 L197 A202 E203 K273 | G195-R199 WeakPolarHBondContact O-CB 3.19Å; G195-R199 PolarHBondContact O-N 2.86Å; G195-R199 VanDerWaalsContact O-N 3.11Å; V196-R199 PolarHBondContact O-N 3.4Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 2.95Å; R199-A202 PolarHBondContact O-N 3.38Å; R199-E203 PolarHBondContact O-N 2.92Å; R199-E203 VanDerWaalsContact O-N 3.08Å; R199-K273 VanDerWaalsContact CZ-CE 3.47Å |
| 200 | D | 88.6 | Confident | 89.9 | Confident | 25 Ų | 25 | 22.3 Ų | 22.3 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.6 | -41.5 | -176.9 | -69 | -10.1 | 0 | 0 | 0 | 111.3 | L90 V196 L197 E203 M204 R309 | L90-D200 HydrophobicContact CD1-CB 3.97Å; V196-D200 PolarHBondContact O-N 3.29Å; L197-D200 PolarHBondContact O-N 3.5Å; D200-E203 PolarHBondContact O-N 3.43Å; D200-M204 PolarHBondContact O-N 2.89Å; D200-R309 IonicContact OD1-CZ 3.04Å; D200-R309 IonicContact OD1-NE 2.65Å; D200-R309 IonicContact OD1-NH2 3.92Å; D200-R309 PolarHBondContact OD1-NH2 2.84Å; D200-R309 IonicContact OD2-CZ 3.7Å; D200-R309 IonicContact OD2-NE 3.43Å; D200-R309 PolarHBondContact OD2-NE 3.4Å; D200-R309 IonicContact OD2-NH2 2.63Å |
| 201 | F | 91.2 | Very high | 89.4 | Confident | 12 Ų | 12 | 24.5 Ų | 24.5 | 5% | 0.053 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 172.9 | -85.7 | -74.9 | 0 | 0 | 0 | 112.7 | L90 W94 T120 F144 L197 M204 C205 | L90-F201 HydrophobicContact CD1-CD2 4.19Å; L90-F201 HydrophobicContact CD1-CE2 3.93Å; L90-F201 HydrophobicContact CD1-CZ 4.43Å; L90-F201 HydrophobicContact CD2-CE1 4.43Å; L90-F201 HydrophobicContact CD2-CZ 4.34Å; W94-F201 HydrophobicContact CE3-CZ 4.22Å; W94-F201 HydrophobicContact CH2-CZ 4.15Å; W94-F201 AromaticContact CZ3-CZ 3.91Å; W94-F201 HydrophobicContact CZ3-CZ 3.91Å; T120-F201 HydrophobicContact CG2-CB 4.02Å; T120-F201 HydrophobicContact CG2-CD1 3.69Å; T120-F201 HydrophobicContact CG2-CD2 3.74Å; T120-F201 HydrophobicContact CG2-CE1 4.02Å; T120-F201 HydrophobicContact CG2-CE2 4.07Å; T120-F201 HydrophobicContact CG2-CG 3.54Å; T120-F201 HydrophobicContact CG2-CZ 4.21Å; F144-F201 HydrophobicContact CE1-CB 3.61Å; F144-F201 HydrophobicContact CZ-CB 3.64Å; L197-F201 VanDerWaalsContact O-CD2 3.31Å; L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 3.01Å; F201-M204 PolarHBondContact O-N 3.39Å; F201-C205 WeakPolarHBondContact O-CB 3.02Å; F201-C205 PolarHBondContact O-N 3.44Å; F201-C205 PolarHBondContact O-SG 2.94Å |
| 202 | A | 90.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F144 G198 R199 C205 A206 V271 | F144-A202 HydrophobicContact CB-CB 3.8Å; F144-A202 HydrophobicContact CD1-CB 3.81Å; F144-A202 HydrophobicContact CD2-CB 3.74Å; F144-A202 HydrophobicContact CE1-CB 4.33Å; F144-A202 HydrophobicContact CE2-CB 4.26Å; F144-A202 HydrophobicContact CG-CB 3.5Å; G198-A202 WeakPolarHBondContact O-CB 3.36Å; G198-A202 PolarHBondContact O-N 2.87Å; R199-A202 PolarHBondContact O-N 3.38Å; A202-C205 PolarHBondContact O-N 3.31Å; A202-A206 VanDerWaalsContact O-CB 3.28Å; A202-A206 WeakPolarHBondContact O-CB 3.41Å; A202-A206 PolarHBondContact O-N 2.96Å; A202-V271 HydrophobicContact CB-CG1 3.6Å |
| 203 | E | 87.4 | Confident | 87.8 | Confident | 52 Ų | 52 | 25.7 Ų | 25.7 | 24% | 0.243 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.2 | -172.1 | 167.5 | 168.8 | 0 | 0 | 111.2 | R199 D200 A206 D207 K273 | R199-E203 PolarHBondContact O-N 2.92Å; R199-E203 VanDerWaalsContact O-N 3.08Å; D200-E203 PolarHBondContact O-N 3.43Å; E203-A206 PolarHBondContact O-N 3.4Å; E203-D207 PolarHBondContact O-N 3.44Å; E203-K273 IonicContact OE2-NZ 3.56Å; E203-K273 PolarHBondContact OE2-NZ 3.24Å |
| 204 | M | 88.5 | Confident | 86.4 | Confident | 63 Ų | 63 | 27.8 Ų | 27.8 | 31% | 0.31 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 175 | -175.8 | -172.7 | -63.1 | 0 | 0 | 112.4 | L90 D200 F201 A206 D207 V208 | L90-M204 HydrophobicContact CD2-CE 3.27Å; D200-M204 PolarHBondContact O-N 2.89Å; F201-M204 PolarHBondContact O-N 3.39Å; M204-A206 VanDerWaalsContact C-N 3.32Å; M204-A206 PolarHBondContact O-N 2.93Å; M204-D207 WeakPolarHBondContact O-CB 3.32Å; M204-D207 PolarHBondContact O-N 3.07Å; M204-V208 WeakPolarHBondContact O-CG2 3.4Å; M204-V208 PolarHBondContact O-N 3.4Å |
| 205 | C | 91.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 178.2 | -69.2 | 0 | 0 | 0 | 0 | 111.1 | A127 V140 F144 F201 A202 D207 V208 M209 | A127-C205 HydrophobicContact CB-CB 3.96Å; V140-C205 HydrophobicContact CG1-CB 3.82Å; F144-C205 HydrophobicContact CE2-CB 4.12Å; F201-C205 WeakPolarHBondContact O-CB 3.02Å; F201-C205 PolarHBondContact O-N 3.44Å; F201-C205 PolarHBondContact O-SG 2.94Å; A202-C205 PolarHBondContact O-N 3.31Å; C205-D207 VanDerWaalsContact C-N 3.34Å; C205-D207 PolarHBondContact O-N 3.48Å; C205-V208 PolarHBondContact O-N 2.87Å; C205-M209 WeakPolarHBondContact O-CB 3.5Å; C205-M209 VanDerWaalsContact O-CG 3.27Å; C205-M209 WeakPolarHBondContact O-CG 3.49Å; C205-M209 PolarHBondContact O-N 3.38Å |
| 206 | A | 89.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A202 E203 M204 A210 | A202-A206 VanDerWaalsContact O-CB 3.28Å; A202-A206 WeakPolarHBondContact O-CB 3.41Å; A202-A206 PolarHBondContact O-N 2.96Å; E203-A206 PolarHBondContact O-N 3.4Å; M204-A206 VanDerWaalsContact C-N 3.32Å; M204-A206 PolarHBondContact O-N 2.93Å; A206-A210 WeakPolarHBondContact O-CB 2.9Å; A206-A210 PolarHBondContact O-N 3.08Å |
| 207 | D | 87.7 | Confident | 80.2 | Confident | 66 Ų | 66 | 34.5 Ų | 34.5 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.9 | -47 | 174.4 | -81.3 | -2.9 | 0 | 0 | 0 | 112.3 | E203 M204 C205 A210 S211 K274 | E203-D207 PolarHBondContact O-N 3.44Å; M204-D207 WeakPolarHBondContact O-CB 3.32Å; M204-D207 PolarHBondContact O-N 3.07Å; C205-D207 VanDerWaalsContact C-N 3.34Å; C205-D207 PolarHBondContact O-N 3.48Å; D207-A210 PolarHBondContact O-N 3.47Å; D207-S211 WeakPolarHBondContact O-CB 3.38Å; D207-S211 PolarHBondContact O-N 2.75Å; D207-S211 PolarHBondContact O-OG 2.98Å; D207-K274 WeakPolarHBondContact OD1-CE 3.32Å; D207-K274 IonicContact OD1-NZ 3.62Å; D207-K274 PolarHBondContact OD1-NZ 2.92Å |
| 208 | V | 87.5 | Confident | 77.7 | Confident | 37 Ų | 37 | 40.1 Ų | 40.1 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -45.1 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | T128 M204 C205 A210 S211 T212 | T128-V208 HydrophobicContact CG2-CB 4.43Å; T128-V208 HydrophobicContact CG2-CG1 3.95Å; T128-V208 HydrophobicContact CG2-CG2 4.29Å; M204-V208 WeakPolarHBondContact O-CG2 3.4Å; M204-V208 PolarHBondContact O-N 3.4Å; C205-V208 PolarHBondContact O-N 2.87Å; V208-A210 PolarHBondContact O-N 3.29Å; V208-S211 PolarHBondContact O-N 2.93Å; V208-S211 PolarHBondContact O-OG 2.93Å; V208-T212 WeakPolarHBondContact O-CB 3.27Å; V208-T212 PolarHBondContact O-N 2.88Å; V208-T212 PolarHBondContact O-OG1 2.86Å |
| 209 | M | 88.3 | Confident | 75.4 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 175.5 | -70.9 | -171.3 | -56.1 | 0 | 0 | 111.2 | A127 L132 T136 P137 V140 Y141 C205 S211 T212 V213 | A127-M209 HydrophobicContact CB-CG 4.11Å; A127-M209 HydrophobicContact CB-SD 4.39Å; L132-M209 HydrophobicContact CD1-CG 4.14Å; L132-M209 HydrophobicContact CD2-CB 4.11Å; L132-M209 HydrophobicContact CD2-CG 4.02Å; T136-M209 HydrophobicContact CG2-SD 4.47Å; P137-M209 HydrophobicContact CB-SD 4.09Å; P137-M209 HydrophobicContact CG-SD 4.06Å; V140-M209 HydrophobicContact CB-CE 4.02Å; V140-M209 HydrophobicContact CB-SD 4.13Å; V140-M209 HydrophobicContact CG1-CE 3.67Å; V140-M209 HydrophobicContact CG1-SD 4.29Å; V140-M209 HydrophobicContact CG2-CE 4.4Å; V140-M209 HydrophobicContact CG2-SD 3.93Å; Y141-M209 HydrophobicContact CD1-CE 4.44Å; Y141-M209 HydrophobicContact CE1-CE 3.71Å; C205-M209 WeakPolarHBondContact O-CB 3.5Å; C205-M209 VanDerWaalsContact O-CG 3.27Å; C205-M209 WeakPolarHBondContact O-CG 3.49Å; C205-M209 PolarHBondContact O-N 3.38Å; M209-S211 VanDerWaalsContact C-N 3.31Å; M209-S211 PolarHBondContact O-N 3.4Å; M209-T212 PolarHBondContact O-N 3.35Å; M209-T212 VanDerWaalsContact O-N 3.09Å; M209-V213 WeakPolarHBondContact O-CB 3.28Å; M209-V213 VanDerWaalsContact O-CG2 3.23Å; M209-V213 WeakPolarHBondContact O-CG2 3.27Å; M209-V213 PolarHBondContact O-N 2.96Å |
| 210 | A | 83.9 | Confident | 73.3 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 21% | 0.207 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.3 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A206 D207 V208 T212 G214 W268 | A206-A210 WeakPolarHBondContact O-CB 2.9Å; A206-A210 PolarHBondContact O-N 3.08Å; D207-A210 PolarHBondContact O-N 3.47Å; V208-A210 PolarHBondContact O-N 3.29Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.05Å; A210-G214 PolarHBondContact O-N 3.43Å; A210-G214 VanDerWaalsContact O-N 3.14Å; A210-W268 HydrophobicContact CB-CH2 3.3Å; A210-W268 HydrophobicContact CB-CZ2 4.36Å; A210-W268 HydrophobicContact CB-CZ3 3.6Å |
| 211 | S | 83.1 | Confident | 70.9 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.5 | -28.7 | 178.3 | 74.5 | 0 | 0 | 0 | 0 | 113.4 | D207 V208 M209 | D207-S211 WeakPolarHBondContact O-CB 3.38Å; D207-S211 PolarHBondContact O-N 2.75Å; D207-S211 PolarHBondContact O-OG 2.98Å; V208-S211 PolarHBondContact O-N 2.93Å; V208-S211 PolarHBondContact O-OG 2.93Å; M209-S211 VanDerWaalsContact C-N 3.31Å; M209-S211 PolarHBondContact O-N 3.4Å |
| 212 | T | 78.4 | Confident | 68.7 | Low | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -87.1 | -35.6 | -177.9 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | K130 L132 V208 M209 A210 G214 | K130-T212 HydrophobicContact CG-CG2 4.14Å; L132-T212 HydrophobicContact CB-CG2 3.79Å; V208-T212 WeakPolarHBondContact O-CB 3.27Å; V208-T212 PolarHBondContact O-N 2.88Å; V208-T212 PolarHBondContact O-OG1 2.86Å; M209-T212 PolarHBondContact O-N 3.35Å; M209-T212 VanDerWaalsContact O-N 3.09Å; A210-T212 VanDerWaalsContact C-N 3.31Å; A210-T212 PolarHBondContact O-N 3.05Å; T212-G214 VanDerWaalsContact C-N 3.26Å |
| 213 | V | 72.5 | Confident | 66.8 | Low | 26 Ų | 26 | 56.8 Ų | 56.8 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -31.5 | 172.9 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L132 M209 Y215 A232 | L132-V213 HydrophobicContact CD2-CG2 3.67Å; M209-V213 WeakPolarHBondContact O-CB 3.28Å; M209-V213 VanDerWaalsContact O-CG2 3.23Å; M209-V213 WeakPolarHBondContact O-CG2 3.27Å; M209-V213 PolarHBondContact O-N 2.96Å; V213-Y215 HydrophobicContact CG1-CD2 3.84Å; V213-Y215 HydrophobicContact CG1-CE2 3.28Å; V213-Y215 VanDerWaalsContact O-CD2 3.26Å; V213-Y215 WeakPolarHBondContact O-CD2 3.44Å; V213-Y215 PolarHBondContact O-N 3.26Å; V213-A232 VanDerWaalsContact CG1-O 3.22Å; V213-A232 WeakPolarHBondContact CG1-O 3.41Å |
| 214 | G | 62.1 | Low | 65.2 | Low | 44 Ų | 44 | 60.5 Ų | 60.5 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | trans | -28 | 93.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A210 T212 Y216 | A210-G214 PolarHBondContact O-N 3.43Å; A210-G214 VanDerWaalsContact O-N 3.14Å; T212-G214 VanDerWaalsContact C-N 3.26Å; G214-Y216 PolarHBondContact O-N 3.01Å | ||
| 215 | Y | 56.8 | Low | 63.7 | Low | 30 Ų | 30 | 66.1 Ų | 66.1 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | trans | -71.7 | 12.2 | 176.2 | -63.1 | -82.3 | 0 | 0 | 0 | 112.9 | V213 P222 T223 K224 L226 A232 | V213-Y215 HydrophobicContact CG1-CD2 3.84Å; V213-Y215 HydrophobicContact CG1-CE2 3.28Å; V213-Y215 VanDerWaalsContact O-CD2 3.26Å; V213-Y215 WeakPolarHBondContact O-CD2 3.44Å; V213-Y215 PolarHBondContact O-N 3.26Å; Y215-P222 WeakPolarHBondContact O-CA 3.45Å; Y215-T223 PolarHBondContact O-N 3.46Å; Y215-K224 HydrophobicContact CD1-CB 3.71Å; Y215-K224 HydrophobicContact CD1-CD 3.72Å; Y215-K224 HydrophobicContact CD1-CG 4.34Å; Y215-K224 HydrophobicContact CE1-CB 4.45Å; Y215-K224 HydrophobicContact CE1-CD 3.97Å; Y215-L226 HydrophobicContact CE1-CD1 4.2Å; Y215-A232 HydrophobicContact CE2-CB 3.88Å; Y215-A232 WeakPolarHBondContact CE2-O 3.36Å; Y215-A232 PolarHBondContact OH-O 2.84Å | ||
| 216 | Y | 47.2 | Very low | 62.4 | Low | 85 Ų | 85 | 67.5 Ų | 67.5 | 33% | 0.333 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -136.7 | 141.4 | -178.7 | -71.7 | -89.4 | 0 | 0 | 0 | 112.3 | G214 P222 Y279 | G214-Y216 PolarHBondContact O-N 3.01Å; Y216-P222 HydrophobicContact CD1-CB 3.9Å; Y216-P222 HydrophobicContact CD1-CG 4.38Å; Y216-P222 HydrophobicContact CE1-CB 3.38Å; Y216-P222 HydrophobicContact CE1-CG 3.55Å; Y216-P222 HydrophobicContact CE2-CB 4.34Å; Y216-Y279 WeakPolarHBondContact CE2-O 3.4Å |
| 217 | S | 40.1 | Very low | 61.2 | Low | 56 Ų | 56 | 70 Ų | 70 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | trans | -89.6 | 164.5 | 162.1 | 80 | 0 | 0 | 0 | 0 | 110.7 | S219 G220 | S217-S219 PolarHBondContact O-N 3.15Å; S217-S219 PolarHBondContact OG-OG 3.4Å; S217-G220 PolarHBondContact O-N 3.18Å | ||
| 218 | A | 39.7 | Very low | 60.4 | Low | 119 Ų | 119 | 73.9 Ų | 73.9 | 98% | 0.983 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -9.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 219 | S | 42.3 | Very low | 59.9 | Low | 92 Ų | 92 | 75.2 Ų | 75.2 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 3.7 | 179.6 | 60.4 | 0 | 0 | 0 | 0 | 115 | S217 M221 | S217-S219 PolarHBondContact O-N 3.15Å; S217-S219 PolarHBondContact OG-OG 3.4Å; S219-M221 VanDerWaalsContact C-N 3.33Å; S219-M221 PolarHBondContact O-N 3.2Å |
| 220 | G | 43.2 | Very low | 59.7 | Low | 56 Ų | 56 | 77.6 Ų | 77.6 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 82 | -3.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | S217 | S217-G220 PolarHBondContact O-N 3.18Š|
| 221 | M | 38.6 | Very low | 59.8 | Low | 140 Ų | 140 | 76.4 Ų | 76.4 | 69% | 0.69 | 46% | 0.463 | S | S | * | . | trans | -90.9 | 126.2 | 169.3 | -80 | -168.4 | -77.7 | 0 | 0 | 111.3 | S219 T223 | S219-M221 VanDerWaalsContact C-N 3.33Å; S219-M221 PolarHBondContact O-N 3.2Å; M221-T223 PolarHBondContact O-N 3.47Å | ||
| 222 | P | 45.2 | Very low | 59.8 | Low | 64 Ų | 64 | 72.5 Ų | 72.5 | 42% | 0.416 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 124.2 | 173.3 | 16.2 | -13.8 | 0 | 0 | 0 | 109.8 | Y215 Y216 K224 | Y215-P222 WeakPolarHBondContact O-CA 3.45Å; Y216-P222 HydrophobicContact CD1-CB 3.9Å; Y216-P222 HydrophobicContact CD1-CG 4.38Å; Y216-P222 HydrophobicContact CE1-CB 3.38Å; Y216-P222 HydrophobicContact CE1-CG 3.55Å; Y216-P222 HydrophobicContact CE2-CB 4.34Å; P222-K224 VanDerWaalsContact C-N 3.29Å |
| 223 | T | 50.1 | Low | 60.1 | Low | 108 Ų | 108 | 71 Ų | 71 | 66% | 0.663 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -84 | -4.4 | 178.2 | 41.8 | 0 | 0 | 0 | 0 | 113.3 | Y215 M221 | Y215-T223 PolarHBondContact O-N 3.46Å; M221-T223 PolarHBondContact O-N 3.47Å |
| 224 | K | 53.8 | Low | 60.7 | Low | 131 Ų | 131 | 69.9 Ų | 69.9 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | trans | -143.6 | 117.1 | -176.3 | -76.9 | -178.1 | 179.2 | -179.9 | 0 | 109.6 | Y215 P222 | Y215-K224 HydrophobicContact CD1-CB 3.71Å; Y215-K224 HydrophobicContact CD1-CD 3.72Å; Y215-K224 HydrophobicContact CD1-CG 4.34Å; Y215-K224 HydrophobicContact CE1-CB 4.45Å; Y215-K224 HydrophobicContact CE1-CD 3.97Å; P222-K224 VanDerWaalsContact C-N 3.29Å | ||
| 225 | H | 56.3 | Low | 61.6 | Low | 181 Ų | 181 | 69 Ų | 69 | 84% | 0.838 | 41% | 0.41 | S | S | * | . | trans | -82.4 | 112.9 | 168.9 | -155.6 | -78.4 | 0 | 0 | 0 | 107.7 | ||||
| 226 | L | 63.8 | Low | 62.9 | Low | 29 Ų | 29 | 70.4 Ų | 70.4 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | trans | -90.3 | 131.8 | 175.2 | -160.7 | 73.7 | 0 | 0 | 0 | 107.9 | Y215 I230 A232 Y279 | Y215-L226 HydrophobicContact CE1-CD1 4.2Å; L226-I230 HydrophobicContact CD1-CB 4.07Å; L226-I230 HydrophobicContact CD1-CD1 4.46Å; L226-I230 HydrophobicContact CD1-CG2 3.87Å; L226-I230 HydrophobicContact CD2-CB 4.32Å; L226-I230 HydrophobicContact CD2-CG2 4.27Å; L226-I230 VanDerWaalsContact CD2-O 3.27Å; L226-I230 WeakPolarHBondContact CD2-O 3.41Å; L226-I230 HydrophobicContact CG-CB 4.02Å; L226-I230 HydrophobicContact CG-CG2 4.23Å; L226-A232 VanDerWaalsContact CD2-CA 3.46Å; L226-A232 HydrophobicContact CD2-CB 3.52Å; L226-Y279 HydrophobicContact CB-CE2 4.36Å | ||
| 227 | S | 65.2 | Low | 64.6 | Low | 53 Ų | 53 | 70.1 Ų | 70.1 | 37% | 0.371 | 43% | 0.426 | S | S | . | . | trans | -67.5 | 146.8 | 173 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | S229 I230 | S227-S229 PolarHBondContact O-N 3.31Å; S227-S229 PolarHBondContact OG-OG 2.85Å; S227-I230 PolarHBondContact O-N 2.96Å; S227-I230 WeakPolarHBondContact OG-CD1 3.3Å; S227-I230 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 228 | D | 69.6 | Low | 66.8 | Low | 148 Ų | 148 | 68.6 Ų | 68.6 | 79% | 0.791 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.4 | 178.7 | -68.4 | -18.8 | 0 | 0 | 0 | 113.3 | ||
| 229 | S | 77.2 | Confident | 68.6 | Low | 65 Ų | 65 | 70 Ų | 70 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.3 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | S227 P237 I238 | S227-S229 PolarHBondContact O-N 3.31Å; S227-S229 PolarHBondContact OG-OG 2.85Å; S229-P237 CarbonylContact O-C 3.54Å; S229-P237 VanDerWaalsContact O-CA 3.24Å; S229-P237 WeakPolarHBondContact O-CA 3.46Å; S229-I238 PolarHBondContact O-N 3.46Å |
| 230 | I | 84.1 | Confident | 70.3 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -119.5 | 129.5 | -179.8 | -60.1 | 171.7 | 0 | 0 | 0 | 110.1 | L226 S227 A232 | L226-I230 HydrophobicContact CD1-CB 4.07Å; L226-I230 HydrophobicContact CD1-CD1 4.46Å; L226-I230 HydrophobicContact CD1-CG2 3.87Å; L226-I230 HydrophobicContact CD2-CB 4.32Å; L226-I230 HydrophobicContact CD2-CG2 4.27Å; L226-I230 VanDerWaalsContact CD2-O 3.27Å; L226-I230 WeakPolarHBondContact CD2-O 3.41Å; L226-I230 HydrophobicContact CG-CB 4.02Å; L226-I230 HydrophobicContact CG-CG2 4.23Å; S227-I230 PolarHBondContact O-N 2.96Å; S227-I230 WeakPolarHBondContact OG-CD1 3.3Å; S227-I230 WeakPolarHBondContact OG-CG1 3.49Å; I230-A232 PolarHBondContact O-N 3Å |
| 231 | C | 86.2 | Confident | 71.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -70.8 | 119.8 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | V233 C234 G235 Q236 I238 H261 | C231-V233 PolarHBondContact O-N 3.37Å; C231-V233 VanDerWaalsContact O-N 3.11Å; C231-C234 PolarHBondContact O-N 3.31Å; C231-G235 VanDerWaalsContact O-CA 3.25Å; C231-G235 WeakPolarHBondContact O-CA 3.24Å; C231-G235 PolarHBondContact O-N 3.31Å; C231-Q236 PolarHBondContact N-O 2.88Å; C231-I238 HydrophobicContact CB-CD1 4.21Å; C231-I238 HydrophobicContact CB-CG1 4.05Å; C231-H261 VanDerWaalsContact CB-ND1 3.29Å; C231-H261 WeakPolarHBondContact CB-ND1 3.13Å | ||
| 232 | A | 82.5 | Confident | 73.5 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V213 Y215 L226 I230 F260 | V213-A232 VanDerWaalsContact CG1-O 3.22Å; V213-A232 WeakPolarHBondContact CG1-O 3.41Å; Y215-A232 HydrophobicContact CE2-CB 3.88Å; Y215-A232 WeakPolarHBondContact CE2-O 3.36Å; Y215-A232 PolarHBondContact OH-O 2.84Å; L226-A232 VanDerWaalsContact CD2-CA 3.46Å; L226-A232 HydrophobicContact CD2-CB 3.52Å; I230-A232 PolarHBondContact O-N 3Å; A232-F260 HydrophobicContact CB-CE1 3.83Å |
| 233 | V | 85.3 | Confident | 74.6 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -52.3 | -179.9 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | P137 Y141 C231 F260 C264 P278 | P137-V233 HydrophobicContact CB-CG1 4.13Å; P137-V233 WeakPolarHBondContact CG-O 3.42Å; Y141-V233 HydrophobicContact CE2-CG1 4.01Å; C231-V233 PolarHBondContact O-N 3.37Å; C231-V233 VanDerWaalsContact O-N 3.11Å; V233-F260 HydrophobicContact CG2-CD1 4.01Å; V233-F260 HydrophobicContact CG2-CE1 4.28Å; V233-C264 HydrophobicContact CB-CB 3.9Å; V233-C264 HydrophobicContact CG1-CB 3.92Å; V233-C264 HydrophobicContact CG2-CB 4.4Å; V233-P278 HydrophobicContact CG2-CB 4.12Å; V233-P278 HydrophobicContact CG2-CG 3.66Å |
| 234 | C | 86.4 | Confident | 75.8 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.014 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -7.3 | -177.4 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | C134 R138 C231 Q236 H261 | C134-C234 CarbonylContact C-O 3.28Å; C134-C234 VanDerWaalsContact C-O 3.28Å; C134-C234 WeakPolarHBondContact CA-O 3.21Å; C134-C234 WeakPolarHBondContact CB-O 3.39Å; C134-C234 WeakPolarHBondContact O-CB 3.37Å; R138-C234 HydrophobicContact CG-CB 4.36Å; C231-C234 PolarHBondContact O-N 3.31Å; C234-Q236 PolarHBondContact O-N 3.31Å; C234-H261 PolarHBondContact SG-ND1 3.22Å |
| 235 | G | 80.1 | Confident | 76.6 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | trans | 64.6 | 17.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C231 | C231-G235 VanDerWaalsContact O-CA 3.25Å; C231-G235 WeakPolarHBondContact O-CA 3.24Å; C231-G235 PolarHBondContact O-N 3.31Å | ||
| 236 | Q | 84 | Confident | 77.3 | Confident | 60 Ų | 60 | 63 Ų | 63 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | trans | -100.5 | 151.8 | 177.5 | -67.4 | -179.7 | -45 | 0 | 0 | 111.4 | C134 C231 C234 | C134-Q236 HydrophobicContact CB-CG 4.36Å; C231-Q236 PolarHBondContact N-O 2.88Å; C234-Q236 PolarHBondContact O-N 3.31Å | ||
| 237 | P | 83.4 | Confident | 77.4 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 51% | 0.506 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -65.1 | 140.9 | 177.4 | 27.9 | -34.5 | 0 | 0 | 0 | 111.3 | S229 L239 H261 | S229-P237 CarbonylContact O-C 3.54Å; S229-P237 VanDerWaalsContact O-CA 3.24Å; S229-P237 WeakPolarHBondContact O-CA 3.46Å; P237-L239 HydrophobicContact CB-CD2 4.42Å; P237-H261 PolarHBondContact O-NE2 2.91Å |
| 238 | I | 84.9 | Confident | 77.7 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 13% | 0.128 | 42% | 0.415 | C | S | . | . | trans | -89.3 | 112 | 174.4 | -56.1 | 177.3 | 0 | 0 | 0 | 106.6 | S229 C231 V240 T251 V259 | S229-I238 PolarHBondContact O-N 3.46Å; C231-I238 HydrophobicContact CB-CD1 4.21Å; C231-I238 HydrophobicContact CB-CG1 4.05Å; I238-V240 WeakPolarHBondContact CG2-O 3.49Å; I238-T251 HydrophobicContact CG2-CG2 3.68Å; I238-T251 WeakPolarHBondContact CG2-OG1 3.39Å; I238-V259 HydrophobicContact CD1-CB 4.28Å; I238-V259 HydrophobicContact CD1-CG1 3.98Å; I238-V259 WeakPolarHBondContact CD1-O 3.09Å | ||
| 239 | L | 78.9 | Confident | 78.1 | Confident | 149 Ų | 149 | 69.9 Ų | 69.9 | 78% | 0.78 | 39% | 0.387 | S | S | * | . | trans | -96.3 | -14.9 | -172.9 | -61.6 | 174.9 | 0 | 0 | 0 | 113.6 | P237 | P237-L239 HydrophobicContact CB-CD2 4.42Š| ||
| 240 | V | 78.6 | Confident | 78.4 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -119.7 | 129.6 | -174.1 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | I238 E244 T251 | I238-V240 WeakPolarHBondContact CG2-O 3.49Å; V240-E244 HydrophobicContact CG1-CB 4.05Å; V240-E244 WeakPolarHBondContact CG1-O 3.36Å; V240-T251 VanDerWaalsContact O-CB 3.31Å; V240-T251 WeakPolarHBondContact O-CB 3.41Å; V240-T251 PolarHBondContact O-OG1 3.5Å |
| 241 | D | 74.5 | Confident | 78.6 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | trans | -74.2 | 158.1 | 175 | -153.1 | -26.9 | 0 | 0 | 0 | 110.8 | S243 E244 | D241-S243 PolarHBondContact O-N 3.42Å; D241-S243 VanDerWaalsContact O-N 3.11Å; D241-E244 PolarHBondContact O-N 2.95Å; D241-E244 VanDerWaalsContact O-N 3.09Å | ||
| 242 | V | 74.3 | Confident | 78.5 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 35% | 0.345 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.4 | -177.3 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | T251 R253 V259 | V242-T251 HydrophobicContact CG2-CG2 4.01Å; V242-R253 HydrophobicContact CG1-CB 4.09Å; V242-R253 HydrophobicContact CG2-CB 3.98Å; V242-V259 HydrophobicContact CG2-CG1 4.09Å |
| 243 | S | 66.9 | Low | 78.8 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 73% | 0.734 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -9.1 | 179.9 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | D241 | D241-S243 PolarHBondContact O-N 3.42Å; D241-S243 VanDerWaalsContact O-N 3.11Å |
| 244 | E | 74.9 | Confident | 78.9 | Confident | 134 Ų | 134 | 74.6 Ų | 74.6 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -113 | 138.3 | -177 | -65.7 | -175 | 173.8 | 0 | 0 | 110.8 | V240 D241 G246 | V240-E244 HydrophobicContact CG1-CB 4.05Å; V240-E244 WeakPolarHBondContact CG1-O 3.36Å; D241-E244 PolarHBondContact O-N 2.95Å; D241-E244 VanDerWaalsContact O-N 3.09Å; E244-G246 PolarHBondContact O-N 3.46Å |
| 245 | E | 71 | Confident | 78.8 | Confident | 183 Ų | 183 | 77.5 Ų | 77.5 | 86% | 0.855 | 42% | 0.416 | S | S | * | . | trans | -72.5 | 119.6 | 169.2 | -75.1 | -171.6 | 172.2 | 0 | 0 | 109.1 | ||||
| 246 | G | 71.6 | Confident | 79.1 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | trans | -76.3 | 132.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E244 I248 N250 | E244-G246 PolarHBondContact O-N 3.46Å; G246-I248 PolarHBondContact O-N 2.96Å; G246-N250 PolarHBondContact N-OD1 3.41Å | ||
| 247 | I | 65.8 | Low | 79.2 | Confident | 178 Ų | 178 | 79.5 Ų | 79.5 | 91% | 0.913 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -61.5 | -34.6 | 174.4 | -58.8 | 172.9 | 0 | 0 | 0 | 111.1 | ||
| 248 | I | 71.1 | Confident | 79.3 | Confident | 153 Ų | 153 | 78 Ų | 78 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -101 | -50.2 | -177.5 | -56.9 | 174.3 | 0 | 0 | 0 | 111 | G246 | G246-I248 PolarHBondContact O-N 2.96Š|
| 249 | E | 77.7 | Confident | 79.4 | Confident | 44 Ų | 44 | 78 Ų | 78 | 21% | 0.206 | 41% | 0.412 | C | S | . | . | trans | -159.3 | 148.6 | 177.6 | 64.2 | -174.7 | 160.2 | 0 | 0 | 110.9 | R138 H261 | R138-E249 IonicContact CZ-OE1 3.77Å; R138-E249 IonicContact CZ-OE2 2.7Å; R138-E249 IonicContact NH1-OE1 3.41Å; R138-E249 PolarHBondContact NH1-OE1 3.33Å; R138-E249 IonicContact NH1-OE2 2.56Å; R138-E249 PolarHBondContact NH1-OE2 3.37Å; R138-E249 IonicContact NH2-OE1 2.67Å; R138-E249 PolarHBondContact NH2-OE1 3.49Å; R138-E249 IonicContact NH2-OE2 3.41Å; R138-E249 PolarHBondContact NH2-OE2 2.79Å; E249-H261 VanDerWaalsContact CD-CD2 3.42Å; E249-H261 IonicContact OE1-CD2 2.84Å; E249-H261 PolarHBondContact OE1-CD2 3.25Å; E249-H261 IonicContact OE1-CE1 3.66Å; E249-H261 IonicContact OE1-CG 3.51Å; E249-H261 IonicContact OE1-ND1 2.79Å; E249-H261 IonicContact OE1-NE2 3.67Å; E249-H261 PolarHBondContact OE1-NE2 2.87Å; E249-H261 IonicContact OE2-CG 2.68Å | ||
| 250 | N | 84.5 | Confident | 79.9 | Confident | 58 Ų | 58 | 71 Ų | 71 | 31% | 0.31 | 38% | 0.375 | S | S | . | . | trans | -81.9 | 161.7 | 175.8 | -61.9 | -37.6 | 0 | 0 | 0 | 111.8 | G246 E262 | G246-N250 PolarHBondContact N-OD1 3.41Å; N250-E262 HydrophobicContact CB-CB 4.26Å; N250-E262 WeakPolarHBondContact CB-OE2 3.44Å; N250-E262 PolarHBondContact ND2-OE2 2.89Å; N250-E262 VanDerWaalsContact O-CB 3.29Å; N250-E262 WeakPolarHBondContact O-CB 3.31Å; N250-E262 PolarHBondContact O-N 2.96Å | ||
| 251 | T | 87.3 | Confident | 80.4 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 8% | 0.08 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.4 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | I238 V240 V242 V259 | I238-T251 HydrophobicContact CG2-CG2 3.68Å; I238-T251 WeakPolarHBondContact CG2-OG1 3.39Å; V240-T251 VanDerWaalsContact O-CB 3.31Å; V240-T251 WeakPolarHBondContact O-CB 3.41Å; V240-T251 PolarHBondContact O-OG1 3.5Å; V242-T251 HydrophobicContact CG2-CG2 4.01Å; T251-V259 HydrophobicContact CG2-CG1 3.04Å |
| 252 | Y | 86 | Confident | 81 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131 | 179.5 | -166.1 | -90.5 | 0 | 0 | 0 | 111.2 | L254 F260 R288 M289 | Y252-L254 HydrophobicContact CD1-CD2 4Å; Y252-L254 HydrophobicContact CE1-CD2 3.95Å; Y252-F260 PolarHBondContact N-O 2.81Å; Y252-F260 PolarHBondContact O-N 3.49Å; Y252-R288 PolarHBondContact OH-O 3.44Å; Y252-M289 HydrophobicContact CD1-CE 4.33Å; Y252-M289 HydrophobicContact CD1-CG 4.38Å; Y252-M289 HydrophobicContact CE1-CE 4.33Å; Y252-M289 HydrophobicContact CE1-CG 3.5Å; Y252-M289 HydrophobicContact CE1-SD 4.11Å; Y252-M289 HydrophobicContact CE2-CG 4.37Å; Y252-M289 VanDerWaalsContact CZ-CG 3.5Å; Y252-M289 VanDerWaalsContact OH-CG 3.32Å; Y252-M289 WeakPolarHBondContact OH-CG 3.33Å |
| 253 | R | 87.5 | Confident | 81.7 | Confident | 105 Ų | 105 | 67.8 Ų | 67.8 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.2 | 175.1 | -174.6 | -179.3 | -67.6 | -96.9 | 7.2 | 110.6 | V242 N257 V259 | V242-R253 HydrophobicContact CG1-CB 4.09Å; V242-R253 HydrophobicContact CG2-CB 3.98Å; R253-N257 PolarHBondContact NH1-O 3.46Å; R253-N257 VanDerWaalsContact NH1-O 3.08Å; R253-V259 HydrophobicContact CB-CG2 4.42Å; R253-V259 HydrophobicContact CG-CG2 4.22Å |
| 254 | L | 86.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | trans | -76.5 | 168.1 | 175.4 | -63.5 | -176.8 | 0 | 0 | 0 | 112 | Y252 C256 N257 H258 F260 I265 C277 V284 M289 | Y252-L254 HydrophobicContact CD1-CD2 4Å; Y252-L254 HydrophobicContact CE1-CD2 3.95Å; L254-C256 VanDerWaalsContact CB-SG 3.57Å; L254-C256 PolarHBondContact O-N 2.89Å; L254-N257 WeakPolarHBondContact O-CA 3.43Å; L254-N257 PolarHBondContact O-N 2.96Å; L254-H258 PolarHBondContact N-O 2.96Å; L254-F260 HydrophobicContact CD1-CD2 3.98Å; L254-F260 HydrophobicContact CD1-CE2 3.46Å; L254-F260 VanDerWaalsContact CD1-CE2 3.46Å; L254-F260 HydrophobicContact CD1-CZ 4.38Å; L254-F260 HydrophobicContact CG-CD2 4.09Å; L254-F260 HydrophobicContact CG-CE2 3.98Å; L254-I265 HydrophobicContact CD1-CD1 4.07Å; L254-I265 HydrophobicContact CD2-CD1 4.35Å; L254-I265 HydrophobicContact CD2-CG1 4.04Å; L254-C277 HydrophobicContact CD1-CB 3.96Å; L254-V284 HydrophobicContact CD1-CG2 3.98Å; L254-V284 HydrophobicContact CD2-CG1 3.71Å; L254-V284 HydrophobicContact CD2-CG2 4.19Å; L254-M289 HydrophobicContact CD2-SD 4.14Å | ||
| 255 | S | 85.8 | Confident | 83.4 | Confident | 63 Ų | 63 | 56.4 Ų | 56.4 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -35.6 | 172.9 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | N257 E282 | S255-N257 PolarHBondContact O-N 3.48Å; S255-N257 VanDerWaalsContact O-N 3.11Å; S255-E282 PolarHBondContact OG-OE1 3.26Å |
| 256 | C | 85.3 | Confident | 84.1 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 12% | 0.122 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 11.9 | 174.9 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | L254 H258 C280 E282 | L254-C256 VanDerWaalsContact CB-SG 3.57Å; L254-C256 PolarHBondContact O-N 2.89Å; C256-H258 PolarHBondContact O-N 2.7Å; C256-H258 PolarHBondContact O-ND1 3.37Å; C256-H258 PolarHBondContact SG-ND1 3.31Å; C256-C280 WeakPolarHBondContact CB-SG 3.5Å; C256-E282 HydrophobicContact CB-CB 4.13Å; C256-E282 HydrophobicContact CB-CG 4.48Å; C256-E282 WeakPolarHBondContact CB-OE2 3.29Å |
| 257 | N | 86.1 | Confident | 84.8 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 63 | -3.6 | -177.8 | -67 | -40.4 | 0 | 0 | 0 | 117.4 | R253 L254 S255 | R253-N257 PolarHBondContact NH1-O 3.46Å; R253-N257 VanDerWaalsContact NH1-O 3.08Å; L254-N257 WeakPolarHBondContact O-CA 3.43Å; L254-N257 PolarHBondContact O-N 2.96Å; S255-N257 PolarHBondContact O-N 3.48Å; S255-N257 VanDerWaalsContact O-N 3.11Å |
| 258 | H | 86.3 | Confident | 85.9 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | trans | -68.9 | 139.4 | 173.1 | -63.1 | 102.8 | 0 | 0 | 0 | 112.1 | L254 C256 F260 Y279 | L254-H258 PolarHBondContact N-O 2.96Å; C256-H258 PolarHBondContact O-N 2.7Å; C256-H258 PolarHBondContact O-ND1 3.37Å; C256-H258 PolarHBondContact SG-ND1 3.31Å; H258-F260 HydrophobicContact CB-CD2 4.49Å; H258-F260 HydrophobicContact CB-CE2 3.49Å; H258-F260 VanDerWaalsContact CB-CE2 3.49Å; H258-F260 HydrophobicContact CB-CZ 3.82Å; H258-Y279 AromaticContact CD2-CD1 3.55Å; H258-Y279 AromaticContact CD2-CG 3.93Å; H258-Y279 AromaticContact CE1-CD1 3.41Å; H258-Y279 VanDerWaalsContact CE1-CD1 3.41Å; H258-Y279 WeakPolarHBondContact CE1-CD1 3.44Å; H258-Y279 AromaticContact CE1-CE1 3.99Å; H258-Y279 AromaticContact NE2-CD1 2.98Å; H258-Y279 WeakPolarHBondContact NE2-CD1 3.39Å; H258-Y279 AromaticContact NE2-CE1 3.27Å; H258-Y279 VanDerWaalsContact NE2-CE1 3.27Å; H258-Y279 WeakPolarHBondContact NE2-CE1 3.3Å; H258-Y279 AromaticContact NE2-CG 3.83Å | ||
| 259 | V | 87.7 | Confident | 86.5 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 16% | 0.164 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.6 | -172.2 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | I238 V242 T251 R253 | I238-V259 HydrophobicContact CD1-CB 4.28Å; I238-V259 HydrophobicContact CD1-CG1 3.98Å; I238-V259 WeakPolarHBondContact CD1-O 3.09Å; V242-V259 HydrophobicContact CG2-CG1 4.09Å; T251-V259 HydrophobicContact CG2-CG1 3.04Å; R253-V259 HydrophobicContact CB-CG2 4.42Å; R253-V259 HydrophobicContact CG-CG2 4.22Å |
| 260 | F | 88.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 158.9 | -178.2 | -57 | -90.6 | 0 | 0 | 0 | 111.1 | A232 V233 Y252 L254 H258 E262 I265 P278 | A232-F260 HydrophobicContact CB-CE1 3.83Å; V233-F260 HydrophobicContact CG2-CD1 4.01Å; V233-F260 HydrophobicContact CG2-CE1 4.28Å; Y252-F260 PolarHBondContact N-O 2.81Å; Y252-F260 PolarHBondContact O-N 3.49Å; L254-F260 HydrophobicContact CD1-CD2 3.98Å; L254-F260 HydrophobicContact CD1-CE2 3.46Å; L254-F260 VanDerWaalsContact CD1-CE2 3.46Å; L254-F260 HydrophobicContact CD1-CZ 4.38Å; L254-F260 HydrophobicContact CG-CD2 4.09Å; L254-F260 HydrophobicContact CG-CE2 3.98Å; H258-F260 HydrophobicContact CB-CD2 4.49Å; H258-F260 HydrophobicContact CB-CE2 3.49Å; H258-F260 VanDerWaalsContact CB-CE2 3.49Å; H258-F260 HydrophobicContact CB-CZ 3.82Å; F260-E262 PolarHBondContact O-N 3.36Å; F260-I265 HydrophobicContact CB-CB 3.98Å; F260-I265 HydrophobicContact CB-CG2 4.42Å; F260-I265 HydrophobicContact CD2-CD1 4.22Å; F260-I265 HydrophobicContact CG-CB 4.41Å; F260-I265 HydrophobicContact CG-CD1 4.41Å; F260-P278 HydrophobicContact CE1-CB 4.21Å; F260-P278 HydrophobicContact CE1-CG 3.93Å; F260-P278 HydrophobicContact CZ-CB 4.5Å; F260-P278 HydrophobicContact CZ-CG 4.15Å |
| 261 | H | 89.6 | Confident | 86.5 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 133.4 | 162.6 | -59.1 | 118 | 0 | 0 | 0 | 109.9 | R138 C231 C234 P237 E249 F263 C264 I265 | R138-H261 PolarHBondContact NH2-CE1 3.01Å; R138-H261 VanDerWaalsContact NH2-CE1 3.34Å; R138-H261 VanDerWaalsContact NH2-CG 3.31Å; R138-H261 PolarHBondContact NH2-ND1 3.02Å; C231-H261 VanDerWaalsContact CB-ND1 3.29Å; C231-H261 WeakPolarHBondContact CB-ND1 3.13Å; C234-H261 PolarHBondContact SG-ND1 3.22Å; P237-H261 PolarHBondContact O-NE2 2.91Å; E249-H261 VanDerWaalsContact CD-CD2 3.42Å; E249-H261 IonicContact OE1-CD2 2.84Å; E249-H261 PolarHBondContact OE1-CD2 3.25Å; E249-H261 IonicContact OE1-CE1 3.66Å; E249-H261 IonicContact OE1-CG 3.51Å; E249-H261 IonicContact OE1-ND1 2.79Å; E249-H261 IonicContact OE1-NE2 3.67Å; E249-H261 PolarHBondContact OE1-NE2 2.87Å; E249-H261 IonicContact OE2-CG 2.68Å; H261-F263 VanDerWaalsContact C-N 3.25Å; H261-F263 PolarHBondContact O-N 3.42Å; H261-C264 HydrophobicContact CB-CB 4.06Å; H261-C264 PolarHBondContact O-N 2.79Å; H261-I265 PolarHBondContact O-N 3.48Å |
| 262 | E | 87.1 | Confident | 86.1 | Confident | 43 Ų | 43 | 35.6 Ų | 35.6 | 20% | 0.201 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.3 | -44.1 | -178.9 | 179.1 | 172.6 | -152.7 | 0 | 0 | 111.3 | N250 F260 C264 I265 R266 | N250-E262 HydrophobicContact CB-CB 4.26Å; N250-E262 WeakPolarHBondContact CB-OE2 3.44Å; N250-E262 PolarHBondContact ND2-OE2 2.89Å; N250-E262 VanDerWaalsContact O-CB 3.29Å; N250-E262 WeakPolarHBondContact O-CB 3.31Å; N250-E262 PolarHBondContact O-N 2.96Å; F260-E262 PolarHBondContact O-N 3.36Å; E262-C264 PolarHBondContact O-N 3.11Å; E262-I265 WeakPolarHBondContact O-CG2 3.39Å; E262-R266 HydrophobicContact CG-CG 4.29Å; E262-R266 VanDerWaalsContact O-CB 3.25Å; E262-R266 WeakPolarHBondContact O-CB 3.24Å; E262-R266 WeakPolarHBondContact O-CG 3.44Å; E262-R266 PolarHBondContact O-N 2.92Å; E262-R266 IonicContact OE1-CZ 3.1Å; E262-R266 IonicContact OE1-NE 3.84Å; E262-R266 PolarHBondContact OE1-NE 3.03Å; E262-R266 IonicContact OE1-NH2 2.63Å; E262-R266 PolarHBondContact OE1-NH2 2.97Å |
| 263 | F | 87.9 | Confident | 85.9 | Confident | 69 Ų | 69 | 36.8 Ų | 36.8 | 30% | 0.303 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.5 | -177.5 | -99.8 | 0 | 0 | 0 | 112.7 | R138 K142 L145 H261 G267 | R138-F263 HydrophobicContact CB-CE1 4.37Å; R138-F263 HydrophobicContact CG-CD1 4.44Å; R138-F263 HydrophobicContact CG-CE1 4.5Å; K142-F263 HydrophobicContact CB-CZ 4.24Å; L145-F263 HydrophobicContact CD2-CE2 4.35Å; H261-F263 VanDerWaalsContact C-N 3.25Å; H261-F263 PolarHBondContact O-N 3.42Å; F263-G267 PolarHBondContact O-N 3.34Å |
| 264 | C | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.2 | -44.1 | -178.1 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | V233 H261 E262 G267 W268 | V233-C264 HydrophobicContact CB-CB 3.9Å; V233-C264 HydrophobicContact CG1-CB 3.92Å; V233-C264 HydrophobicContact CG2-CB 4.4Å; H261-C264 HydrophobicContact CB-CB 4.06Å; H261-C264 PolarHBondContact O-N 2.79Å; E262-C264 PolarHBondContact O-N 3.11Å; C264-G267 PolarHBondContact O-N 3.43Å; C264-W268 WeakPolarHBondContact O-CB 3.37Å; C264-W268 PolarHBondContact O-N 3.36Å |
| 265 | I | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.8 | -35.9 | 179.7 | -167.4 | 62.6 | 0 | 0 | 0 | 111.7 | L254 F260 H261 E262 W268 C269 P278 M289 | L254-I265 HydrophobicContact CD1-CD1 4.07Å; L254-I265 HydrophobicContact CD2-CD1 4.35Å; L254-I265 HydrophobicContact CD2-CG1 4.04Å; F260-I265 HydrophobicContact CB-CB 3.98Å; F260-I265 HydrophobicContact CB-CG2 4.42Å; F260-I265 HydrophobicContact CD2-CD1 4.22Å; F260-I265 HydrophobicContact CG-CB 4.41Å; F260-I265 HydrophobicContact CG-CD1 4.41Å; H261-I265 PolarHBondContact O-N 3.48Å; E262-I265 WeakPolarHBondContact O-CG2 3.39Å; I265-W268 PolarHBondContact O-N 3.48Å; I265-C269 WeakPolarHBondContact O-CB 3.45Å; I265-C269 PolarHBondContact O-N 2.94Å; I265-C269 PolarHBondContact O-SG 3.23Å; I265-C269 VanDerWaalsContact O-SG 3.42Å; I265-P278 HydrophobicContact CD1-CG 4.21Å; I265-M289 HydrophobicContact CB-CE 4.33Å; I265-M289 HydrophobicContact CG1-CE 3.83Å; I265-M289 HydrophobicContact CG1-SD 4.44Å; I265-M289 HydrophobicContact CG2-CE 3.72Å |
| 266 | R | 86.4 | Confident | 85.7 | Confident | 83 Ų | 83 | 39 Ų | 39 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 170.8 | -75.6 | -178.8 | -179.9 | -145.4 | 2.3 | 111.3 | E262 W268 C269 I270 M289 E295 | E262-R266 HydrophobicContact CG-CG 4.29Å; E262-R266 VanDerWaalsContact O-CB 3.25Å; E262-R266 WeakPolarHBondContact O-CB 3.24Å; E262-R266 WeakPolarHBondContact O-CG 3.44Å; E262-R266 PolarHBondContact O-N 2.92Å; E262-R266 IonicContact OE1-CZ 3.1Å; E262-R266 IonicContact OE1-NE 3.84Å; E262-R266 PolarHBondContact OE1-NE 3.03Å; E262-R266 IonicContact OE1-NH2 2.63Å; E262-R266 PolarHBondContact OE1-NH2 2.97Å; R266-W268 PolarHBondContact O-N 3.43Å; R266-C269 PolarHBondContact O-N 3.14Å; R266-I270 HydrophobicContact CB-CD1 4.24Å; R266-I270 VanDerWaalsContact O-CB 3.26Å; R266-I270 WeakPolarHBondContact O-CB 3.47Å; R266-I270 WeakPolarHBondContact O-CG1 3.15Å; R266-I270 PolarHBondContact O-N 2.87Å; R266-M289 HydrophobicContact CG-CE 4.47Å; R266-E295 IonicContact NH1-OE1 3.97Å |
| 267 | G | 86.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -59 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F263 C264 V271 G272 | F263-G267 PolarHBondContact O-N 3.34Å; C264-G267 PolarHBondContact O-N 3.43Å; G267-V271 WeakPolarHBondContact O-CA 3.48Å; G267-V271 WeakPolarHBondContact O-CB 3.34Å; G267-V271 PolarHBondContact O-N 3.3Å; G267-G272 PolarHBondContact O-N 3.27Å |
| 268 | W | 87.4 | Confident | 85.7 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -59 | -49.4 | 175.9 | -179.2 | -95.6 | 0 | 0 | 0 | 112.9 | A210 C264 I265 R266 G272 K273 K274 T276 P278 | A210-W268 HydrophobicContact CB-CH2 3.3Å; A210-W268 HydrophobicContact CB-CZ2 4.36Å; A210-W268 HydrophobicContact CB-CZ3 3.6Å; C264-W268 WeakPolarHBondContact O-CB 3.37Å; C264-W268 PolarHBondContact O-N 3.36Å; I265-W268 PolarHBondContact O-N 3.48Å; R266-W268 PolarHBondContact O-N 3.43Å; W268-G272 CarbonylContact O-C 3.52Å; W268-G272 WeakPolarHBondContact O-CA 3.47Å; W268-G272 PolarHBondContact O-N 2.91Å; W268-K273 PolarHBondContact O-N 3.14Å; W268-K274 HydrophobicContact CD2-CB 3.94Å; W268-K274 HydrophobicContact CD2-CG 4.24Å; W268-K274 VanDerWaalsContact CE2-CB 3.43Å; W268-K274 HydrophobicContact CG-CB 4.05Å; W268-K274 HydrophobicContact CZ2-CB 3.99Å; W268-K274 HydrophobicContact CZ2-CG 4.1Å; W268-K274 PolarHBondContact O-N 3.03Å; W268-K274 VanDerWaalsContact O-N 3.09Å; W268-T276 PolarHBondContact NE1-O 3.46Å; W268-P278 HydrophobicContact CD2-CB 4.44Å; W268-P278 HydrophobicContact CD2-CG 3.83Å; W268-P278 HydrophobicContact CE3-CG 4.41Å; W268-P278 HydrophobicContact CG-CG 4Å; W268-P278 HydrophobicContact CH2-CB 4.24Å; W268-P278 HydrophobicContact CZ2-CB 4.01Å; W268-P278 HydrophobicContact CZ2-CG 4.11Å |
| 269 | C | 85.3 | Confident | 85.4 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -75 | -41.3 | -176.5 | -68.6 | 0 | 0 | 0 | 0 | 113.5 | I265 R266 K273 K274 L286 F290 | I265-C269 WeakPolarHBondContact O-CB 3.45Å; I265-C269 PolarHBondContact O-N 2.94Å; I265-C269 PolarHBondContact O-SG 3.23Å; I265-C269 VanDerWaalsContact O-SG 3.42Å; R266-C269 PolarHBondContact O-N 3.14Å; C269-K273 VanDerWaalsContact O-CA 3.27Å; C269-K273 WeakPolarHBondContact O-CA 3.49Å; C269-K274 WeakPolarHBondContact CA-O 3.27Å; C269-K274 PolarHBondContact SG-O 3.22Å; C269-L286 HydrophobicContact CB-CD2 4.11Å; C269-F290 HydrophobicContact CB-CZ 4.31Å |
| 270 | I | 80.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 34.8 Ų | 34.8 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -87.8 | -59.6 | -175.3 | -61.8 | 164.5 | 0 | 0 | 0 | 110.6 | R266 F290 | R266-I270 HydrophobicContact CB-CD1 4.24Å; R266-I270 VanDerWaalsContact O-CB 3.26Å; R266-I270 WeakPolarHBondContact O-CB 3.47Å; R266-I270 WeakPolarHBondContact O-CG1 3.15Å; R266-I270 PolarHBondContact O-N 2.87Å; I270-F290 HydrophobicContact CD1-CD1 4.4Å; I270-F290 HydrophobicContact CD1-CE1 3.51Å; I270-F290 HydrophobicContact CD1-CZ 3.93Å; I270-F290 HydrophobicContact CG1-CE1 3.78Å; I270-F290 HydrophobicContact CG1-CZ 3.64Å |
| 271 | V | 81.7 | Confident | 84.7 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -73.2 | -44.5 | -171.6 | -179.2 | 0 | 0 | 0 | 0 | 110 | Y141 F144 A202 G267 | Y141-V271 HydrophobicContact CD1-CB 4.04Å; Y141-V271 HydrophobicContact CD1-CG1 3.97Å; Y141-V271 HydrophobicContact CE1-CB 4.5Å; F144-V271 HydrophobicContact CB-CG1 3.94Å; A202-V271 HydrophobicContact CB-CG1 3.6Å; G267-V271 WeakPolarHBondContact O-CA 3.48Å; G267-V271 WeakPolarHBondContact O-CB 3.34Å; G267-V271 PolarHBondContact O-N 3.3Å |
| 272 | G | 79.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -83.4 | -6.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G267 W268 K274 | G267-G272 PolarHBondContact O-N 3.27Å; W268-G272 CarbonylContact O-C 3.52Å; W268-G272 WeakPolarHBondContact O-CA 3.47Å; W268-G272 PolarHBondContact O-N 2.91Å; G272-K274 WeakPolarHBondContact O-CG 3.32Å; G272-K274 PolarHBondContact O-N 3.04Å; G272-K274 VanDerWaalsContact O-N 3.07Å |
| 273 | K | 80.8 | Confident | 84.4 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | trans | 48.8 | 29.6 | -171.8 | -60.5 | -173.7 | -162.2 | 134.3 | 0 | 114.1 | R199 E203 W268 C269 Q275 | R199-K273 VanDerWaalsContact CZ-CE 3.47Å; E203-K273 IonicContact OE2-NZ 3.56Å; E203-K273 PolarHBondContact OE2-NZ 3.24Å; W268-K273 PolarHBondContact O-N 3.14Å; C269-K273 VanDerWaalsContact O-CA 3.27Å; C269-K273 WeakPolarHBondContact O-CA 3.49Å; K273-Q275 PolarHBondContact O-N 3.33Å | ||
| 274 | K | 83.6 | Confident | 84.3 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | trans | -91.7 | 102.5 | -179.4 | -60.9 | -51.4 | -179.7 | -170.7 | 0 | 110 | D207 W268 C269 G272 T276 | D207-K274 WeakPolarHBondContact OD1-CE 3.32Å; D207-K274 IonicContact OD1-NZ 3.62Å; D207-K274 PolarHBondContact OD1-NZ 2.92Å; W268-K274 HydrophobicContact CD2-CB 3.94Å; W268-K274 HydrophobicContact CD2-CG 4.24Å; W268-K274 VanDerWaalsContact CE2-CB 3.43Å; W268-K274 HydrophobicContact CG-CB 4.05Å; W268-K274 HydrophobicContact CZ2-CB 3.99Å; W268-K274 HydrophobicContact CZ2-CG 4.1Å; W268-K274 PolarHBondContact O-N 3.03Å; W268-K274 VanDerWaalsContact O-N 3.09Å; C269-K274 WeakPolarHBondContact CA-O 3.27Å; C269-K274 PolarHBondContact SG-O 3.22Å; G272-K274 WeakPolarHBondContact O-CG 3.32Å; G272-K274 PolarHBondContact O-N 3.04Å; G272-K274 VanDerWaalsContact O-N 3.07Å; K274-T276 PolarHBondContact O-N 2.94Å | ||
| 275 | Q | 84.9 | Confident | 83.8 | Confident | 117 Ų | 117 | 53.8 Ų | 53.8 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | trans | -87.4 | 29 | -179.3 | -51.4 | -172.5 | 4.7 | 0 | 0 | 113.3 | K273 K283 V284 L286 | K273-Q275 PolarHBondContact O-N 3.33Å; Q275-K283 WeakPolarHBondContact O-CA 3.45Å; Q275-V284 PolarHBondContact O-N 3.38Å; Q275-V284 VanDerWaalsContact O-N 3.09Å; Q275-L286 HydrophobicContact CB-CD1 4.45Å; Q275-L286 HydrophobicContact CG-CD1 3.87Å | ||
| 276 | T | 86.7 | Confident | 83.1 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -134.3 | 146.8 | -176.8 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | W268 K274 E282 | W268-T276 PolarHBondContact NE1-O 3.46Å; K274-T276 PolarHBondContact O-N 2.94Å; T276-E282 CarbonylContact C-O 3.51Å; T276-E282 WeakPolarHBondContact CA-O 3.4Å |
| 277 | C | 86.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | trans | -58.5 | 128.8 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | L254 Y279 C280 K281 E282 | L254-C277 HydrophobicContact CD1-CB 3.96Å; C277-Y279 PolarHBondContact O-N 3.3Å; C277-Y279 PolarHBondContact SG-N 3.44Å; C277-Y279 VanDerWaalsContact SG-N 3.41Å; C277-C280 VanDerWaalsContact CB-SG 3.52Å; C277-K281 VanDerWaalsContact O-CA 3.24Å; C277-K281 WeakPolarHBondContact O-CA 3.35Å; C277-K281 PolarHBondContact O-N 3.1Å; C277-E282 PolarHBondContact N-O 2.9Å | ||
| 278 | P | 84.6 | Confident | 81.6 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -25 | 176.8 | -22.4 | 29.1 | 0 | 0 | 0 | 113.7 | V233 F260 I265 W268 | V233-P278 HydrophobicContact CG2-CB 4.12Å; V233-P278 HydrophobicContact CG2-CG 3.66Å; F260-P278 HydrophobicContact CE1-CB 4.21Å; F260-P278 HydrophobicContact CE1-CG 3.93Å; F260-P278 HydrophobicContact CZ-CB 4.5Å; F260-P278 HydrophobicContact CZ-CG 4.15Å; I265-P278 HydrophobicContact CD1-CG 4.21Å; W268-P278 HydrophobicContact CD2-CB 4.44Å; W268-P278 HydrophobicContact CD2-CG 3.83Å; W268-P278 HydrophobicContact CE3-CG 4.41Å; W268-P278 HydrophobicContact CG-CG 4Å; W268-P278 HydrophobicContact CH2-CB 4.24Å; W268-P278 HydrophobicContact CZ2-CB 4.01Å; W268-P278 HydrophobicContact CZ2-CG 4.11Å |
| 279 | Y | 80.2 | Confident | 80.7 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -66.2 | -177.6 | -170.2 | -92.6 | 0 | 0 | 0 | 112.7 | Y216 L226 H258 C277 | Y216-Y279 WeakPolarHBondContact CE2-O 3.4Å; L226-Y279 HydrophobicContact CB-CE2 4.36Å; H258-Y279 AromaticContact CD2-CD1 3.55Å; H258-Y279 AromaticContact CD2-CG 3.93Å; H258-Y279 AromaticContact CE1-CD1 3.41Å; H258-Y279 VanDerWaalsContact CE1-CD1 3.41Å; H258-Y279 WeakPolarHBondContact CE1-CD1 3.44Å; H258-Y279 AromaticContact CE1-CE1 3.99Å; H258-Y279 AromaticContact NE2-CD1 2.98Å; H258-Y279 WeakPolarHBondContact NE2-CD1 3.39Å; H258-Y279 AromaticContact NE2-CE1 3.27Å; H258-Y279 VanDerWaalsContact NE2-CE1 3.27Å; H258-Y279 WeakPolarHBondContact NE2-CE1 3.3Å; H258-Y279 AromaticContact NE2-CG 3.83Å; C277-Y279 PolarHBondContact O-N 3.3Å; C277-Y279 PolarHBondContact SG-N 3.44Å; C277-Y279 VanDerWaalsContact SG-N 3.41Å |
| 280 | C | 81.4 | Confident | 79.8 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 35% | 0.345 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -2.1 | -173.4 | 63.9 | 0 | 0 | 0 | 0 | 114.8 | C256 C277 E282 | C256-C280 WeakPolarHBondContact CB-SG 3.5Å; C277-C280 VanDerWaalsContact CB-SG 3.52Å; C280-E282 PolarHBondContact O-N 3.07Å; C280-E282 VanDerWaalsContact SG-CB 3.52Å |
| 281 | K | 81.1 | Confident | 78.7 | Confident | 155 Ų | 155 | 70.3 Ų | 70.3 | 67% | 0.674 | 34% | 0.339 | S | S | * | . | trans | 57.1 | 11 | -174.3 | -61.5 | -177.8 | 178.2 | 176.4 | 0 | 115.8 | C277 | C277-K281 VanDerWaalsContact O-CA 3.24Å; C277-K281 WeakPolarHBondContact O-CA 3.35Å; C277-K281 PolarHBondContact O-N 3.1Å | ||
| 282 | E | 86.1 | Confident | 77.4 | Confident | 93 Ų | 93 | 72.6 Ų | 72.6 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 141.8 | 170 | -167.7 | -176.8 | 133.4 | 0 | 0 | 110 | S255 C256 T276 C277 C280 V284 | S255-E282 PolarHBondContact OG-OE1 3.26Å; C256-E282 HydrophobicContact CB-CB 4.13Å; C256-E282 HydrophobicContact CB-CG 4.48Å; C256-E282 WeakPolarHBondContact CB-OE2 3.29Å; T276-E282 CarbonylContact C-O 3.51Å; T276-E282 WeakPolarHBondContact CA-O 3.4Å; C277-E282 PolarHBondContact N-O 2.9Å; C280-E282 PolarHBondContact O-N 3.07Å; C280-E282 VanDerWaalsContact SG-CB 3.52Å; E282-V284 PolarHBondContact O-N 3.01Å |
| 283 | K | 85.3 | Confident | 75.8 | Confident | 172 Ų | 172 | 76.7 Ų | 76.7 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -64 | 134.3 | 178.4 | -72.6 | -174.8 | 179.3 | 178.9 | 0 | 110.2 | Q275 | Q275-K283 WeakPolarHBondContact O-CA 3.45Å |
| 284 | V | 84.7 | Confident | 74.2 | Confident | 13 Ų | 13 | 83.2 Ų | 83.2 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 134.1 | 179.4 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | L254 Q275 E282 L286 M289 | L254-V284 HydrophobicContact CD1-CG2 3.98Å; L254-V284 HydrophobicContact CD2-CG1 3.71Å; L254-V284 HydrophobicContact CD2-CG2 4.19Å; Q275-V284 PolarHBondContact O-N 3.38Å; Q275-V284 VanDerWaalsContact O-N 3.09Å; E282-V284 PolarHBondContact O-N 3.01Å; V284-L286 PolarHBondContact O-N 3.48Å; V284-M289 HydrophobicContact CG1-CG 4.36Å; V284-M289 HydrophobicContact CG1-SD 3.39Å; V284-M289 WeakPolarHBondContact CG1-SD 3.32Å |
| 285 | D | 79.3 | Confident | 72.7 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | trans | -75.9 | 93.3 | 171.8 | -173.2 | 0.3 | 0 | 0 | 0 | 111.1 | K287 R288 M289 | D285-K287 PolarHBondContact O-N 3.5Å; D285-K287 WeakPolarHBondContact OD1-CB 3.36Å; D285-K287 PolarHBondContact OD1-N 2.98Å; D285-R288 HydrophobicContact CB-CB 4.46Å; D285-R288 PolarHBondContact O-N 3.43Å; D285-M289 PolarHBondContact O-N 3.19Å | ||
| 286 | L | 72.9 | Confident | 71.3 | Confident | 44 Ų | 44 | 84.3 Ų | 84.3 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.9 | -26.8 | 179 | -56.5 | 174.4 | 0 | 0 | 0 | 112.6 | C269 Q275 V284 R288 M289 F290 | C269-L286 HydrophobicContact CB-CD2 4.11Å; Q275-L286 HydrophobicContact CB-CD1 4.45Å; Q275-L286 HydrophobicContact CG-CD1 3.87Å; V284-L286 PolarHBondContact O-N 3.48Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 2.94Å; L286-M289 PolarHBondContact O-N 3.27Å; L286-F290 HydrophobicContact CB-CD2 3.94Å; L286-F290 HydrophobicContact CB-CE2 3.86Å; L286-F290 HydrophobicContact CD2-CE2 3.76Å; L286-F290 HydrophobicContact CD2-CZ 4.5Å; L286-F290 HydrophobicContact CG-CE2 4.31Å; L286-F290 WeakPolarHBondContact O-CD2 3.2Å; L286-F290 PolarHBondContact O-N 2.75Å |
| 287 | K | 69.8 | Low | 69.6 | Low | 172 Ų | 172 | 86.2 Ų | 86.2 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.5 | -35.6 | -178.8 | -68.3 | -179.5 | -179.8 | 176.8 | 0 | 111.6 | D285 | D285-K287 PolarHBondContact O-N 3.5Å; D285-K287 WeakPolarHBondContact OD1-CB 3.36Å; D285-K287 PolarHBondContact OD1-N 2.98Å |
| 288 | R | 71.5 | Confident | 68 | Low | 173 Ų | 173 | 90.6 Ų | 90.6 | 65% | 0.653 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -75.6 | -26.6 | 176.3 | -171.2 | 179.3 | 174 | -175 | -2.4 | 112.7 | Y252 D285 L286 | Y252-R288 PolarHBondContact OH-O 3.44Å; D285-R288 HydrophobicContact CB-CB 4.46Å; D285-R288 PolarHBondContact O-N 3.43Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 2.94Å |
| 289 | M | 69 | Low | 66.7 | Low | 10 Ų | 10 | 94.7 Ų | 94.7 | 5% | 0.049 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -79.1 | -34.9 | 176.4 | -75.3 | -169.9 | 71.8 | 0 | 0 | 113.4 | Y252 L254 I265 R266 V284 D285 L286 | Y252-M289 HydrophobicContact CD1-CE 4.33Å; Y252-M289 HydrophobicContact CD1-CG 4.38Å; Y252-M289 HydrophobicContact CE1-CE 4.33Å; Y252-M289 HydrophobicContact CE1-CG 3.5Å; Y252-M289 HydrophobicContact CE1-SD 4.11Å; Y252-M289 HydrophobicContact CE2-CG 4.37Å; Y252-M289 VanDerWaalsContact CZ-CG 3.5Å; Y252-M289 VanDerWaalsContact OH-CG 3.32Å; Y252-M289 WeakPolarHBondContact OH-CG 3.33Å; L254-M289 HydrophobicContact CD2-SD 4.14Å; I265-M289 HydrophobicContact CB-CE 4.33Å; I265-M289 HydrophobicContact CG1-CE 3.83Å; I265-M289 HydrophobicContact CG1-SD 4.44Å; I265-M289 HydrophobicContact CG2-CE 3.72Å; R266-M289 HydrophobicContact CG-CE 4.47Å; V284-M289 HydrophobicContact CG1-CG 4.36Å; V284-M289 HydrophobicContact CG1-SD 3.39Å; V284-M289 WeakPolarHBondContact CG1-SD 3.32Å; D285-M289 PolarHBondContact O-N 3.19Å; L286-M289 PolarHBondContact O-N 3.27Å |
| 290 | F | 67 | Low | 65.8 | Low | 22 Ų | 22 | 98.8 Ų | 98.8 | 10% | 0.096 | 48% | 0.484 | C | S | . | . | trans | -112.8 | 80.8 | -175.9 | -50.4 | -58.9 | 0 | 0 | 0 | 109.9 | C269 I270 L286 N292 E295 | C269-F290 HydrophobicContact CB-CZ 4.31Å; I270-F290 HydrophobicContact CD1-CD1 4.4Å; I270-F290 HydrophobicContact CD1-CE1 3.51Å; I270-F290 HydrophobicContact CD1-CZ 3.93Å; I270-F290 HydrophobicContact CG1-CE1 3.78Å; I270-F290 HydrophobicContact CG1-CZ 3.64Å; L286-F290 HydrophobicContact CB-CD2 3.94Å; L286-F290 HydrophobicContact CB-CE2 3.86Å; L286-F290 HydrophobicContact CD2-CE2 3.76Å; L286-F290 HydrophobicContact CD2-CZ 4.5Å; L286-F290 HydrophobicContact CG-CE2 4.31Å; L286-F290 WeakPolarHBondContact O-CD2 3.2Å; L286-F290 PolarHBondContact O-N 2.75Å; F290-N292 PolarHBondContact O-N 3.43Å; F290-E295 HydrophobicContact CB-CB 4.47Å | ||
| 291 | S | 55.8 | Low | 65.2 | Low | 108 Ų | 108 | 98.6 Ų | 98.6 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | trans | -62.7 | -23.7 | 178.2 | -48.1 | 0 | 0 | 0 | 0 | 112.4 | P293 | S291-P293 WeakPolarHBondContact O-CD 3.38Š| ||
| 292 | N | 55.9 | Low | 64.6 | Low | 74 Ų | 74 | 91.8 Ų | 91.8 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -91.3 | 116.7 | -178.9 | -164.1 | -10.2 | 0 | 0 | 0 | 111.3 | F290 W294 E295 | F290-N292 PolarHBondContact O-N 3.43Å; N292-W294 PolarHBondContact O-N 2.88Å; N292-W294 PolarHBondContact OD1-N 2.97Å; N292-E295 HydrophobicContact CB-CB 4.46Å; N292-E295 HydrophobicContact CB-CG 4.02Å; N292-E295 PolarHBondContact O-N 3.39Å |
| 293 | P | 44.5 | Very low | 64.2 | Low | 86 Ų | 86 | 92 Ų | 92 | 56% | 0.558 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -55.9 | -25.4 | 178 | -25.6 | 34.9 | 0 | 0 | 0 | 114.2 | S291 | S291-P293 WeakPolarHBondContact O-CD 3.38Š|
| 294 | W | 47 | Very low | 63.9 | Low | 207 Ų | 207 | 88 Ų | 88 | 78% | 0.784 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -79.5 | -10.5 | 178.9 | -55.2 | 106 | 0 | 0 | 0 | 114.2 | N292 K296 | N292-W294 PolarHBondContact O-N 2.88Å; N292-W294 PolarHBondContact OD1-N 2.97Å; W294-K296 VanDerWaalsContact C-N 3.35Å |
| 295 | E | 52 | Low | 63.5 | Low | 79 Ų | 79 | 87.3 Ų | 87.3 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -87.1 | -5.4 | 174.1 | -74.9 | -176.9 | 164.3 | 0 | 0 | 113 | R266 F290 N292 P297 | R266-E295 IonicContact NH1-OE1 3.97Å; F290-E295 HydrophobicContact CB-CB 4.47Å; N292-E295 HydrophobicContact CB-CB 4.46Å; N292-E295 HydrophobicContact CB-CG 4.02Å; N292-E295 PolarHBondContact O-N 3.39Å; E295-P297 WeakPolarHBondContact O-CD 3.43Å |
| 296 | K | 55.1 | Low | 63.6 | Low | 115 Ų | 115 | 86 Ų | 86 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -65.1 | 126.4 | 175.2 | -71.7 | -179.5 | -178.9 | 171.4 | 0 | 108.5 | W294 H298 | W294-K296 VanDerWaalsContact C-N 3.35Å; K296-H298 VanDerWaalsContact C-N 3.3Å; K296-H298 PolarHBondContact O-CD2 3.2Å; K296-H298 PolarHBondContact O-N 3.31Å |
| 297 | P | 51.9 | Low | 64.2 | Low | 91 Ų | 91 | 92.7 Ų | 92.7 | 59% | 0.591 | 45% | 0.448 | S | S | * | . | trans | -60.4 | 99.2 | 168.5 | -11 | 22.7 | 0 | 0 | 0 | 107.1 | E295 V299 | E295-P297 WeakPolarHBondContact O-CD 3.43Å; P297-V299 PolarHBondContact O-N 2.88Å; P297-V299 VanDerWaalsContact O-N 3.13Å | ||
| 298 | H | 54 | Low | 65 | Low | 93 Ų | 93 | 85.5 Ų | 85.5 | 43% | 0.431 | 42% | 0.418 | S | S | . | . | trans | -56.1 | 124.3 | -174.5 | -60.1 | -80.3 | 0 | 0 | 0 | 108.3 | K296 M300 Y301 G302 | K296-H298 VanDerWaalsContact C-N 3.3Å; K296-H298 PolarHBondContact O-CD2 3.2Å; K296-H298 PolarHBondContact O-N 3.31Å; H298-M300 PolarHBondContact O-N 2.96Å; H298-M300 VanDerWaalsContact O-N 3.08Å; H298-Y301 WeakPolarHBondContact O-CB 3.39Å; H298-Y301 PolarHBondContact O-N 3.06Å; H298-G302 PolarHBondContact O-N 3.47Å | ||
| 299 | V | 56.8 | Low | 65.9 | Low | 106 Ų | 106 | 78.1 Ų | 78.1 | 64% | 0.642 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -51.6 | -34.8 | 178.1 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | P297 Y301 G302 Q303 | P297-V299 PolarHBondContact O-N 2.88Å; P297-V299 VanDerWaalsContact O-N 3.13Å; V299-Y301 PolarHBondContact O-N 3.01Å; V299-G302 WeakPolarHBondContact O-CA 3.41Å; V299-G302 PolarHBondContact O-N 3.18Å; V299-G302 VanDerWaalsContact O-N 3.15Å; V299-Q303 PolarHBondContact O-N 3.35Å |
| 300 | M | 59.9 | Low | 66.8 | Low | 126 Ų | 126 | 79.8 Ų | 79.8 | 62% | 0.621 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.3 | -43.6 | 173.7 | -62.3 | -63.7 | 101.4 | 0 | 0 | 113.1 | H298 G302 Q303 L304 | H298-M300 PolarHBondContact O-N 2.96Å; H298-M300 VanDerWaalsContact O-N 3.08Å; M300-G302 VanDerWaalsContact C-N 3.34Å; M300-Q303 PolarHBondContact O-N 2.83Å; M300-L304 WeakPolarHBondContact O-CB 3.42Å; M300-L304 PolarHBondContact O-N 3.22Å |
| 301 | Y | 68.9 | Low | 67.9 | Low | 47 Ų | 47 | 83.3 Ų | 83.3 | 18% | 0.184 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 176.4 | -173.2 | -113.6 | 0 | 0 | 0 | 110.7 | Y148 H298 V299 Q303 L304 L305 | Y148-Y301 HydrophobicContact CE2-CE1 4.2Å; H298-Y301 WeakPolarHBondContact O-CB 3.39Å; H298-Y301 PolarHBondContact O-N 3.06Å; V299-Y301 PolarHBondContact O-N 3.01Å; Y301-Q303 PolarHBondContact O-N 3.35Å; Y301-L304 PolarHBondContact O-N 3.32Å; Y301-L305 HydrophobicContact CD1-CD1 3.92Å; Y301-L305 HydrophobicContact CD1-CG 4.45Å; Y301-L305 HydrophobicContact CE1-CD1 3.56Å; Y301-L305 HydrophobicContact CE1-CD2 4.43Å; Y301-L305 HydrophobicContact CE1-CG 4.22Å; Y301-L305 HydrophobicContact CE2-CD2 4.17Å; Y301-L305 HydrophobicContact CE2-CG 4.44Å; Y301-L305 VanDerWaalsContact O-CG 3.23Å; Y301-L305 WeakPolarHBondContact O-CG 3.18Å; Y301-L305 PolarHBondContact O-N 3.44Å; Y301-L305 VanDerWaalsContact O-N 3.07Å |
| 302 | G | 70.3 | Confident | 69.5 | Low | 11 Ų | 11 | 79 Ų | 79 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H298 V299 M300 L305 D306 | H298-G302 PolarHBondContact O-N 3.47Å; V299-G302 WeakPolarHBondContact O-CA 3.41Å; V299-G302 PolarHBondContact O-N 3.18Å; V299-G302 VanDerWaalsContact O-N 3.15Å; M300-G302 VanDerWaalsContact C-N 3.34Å; G302-L305 PolarHBondContact O-N 2.82Å; G302-D306 PolarHBondContact O-N 2.8Å; G302-D306 VanDerWaalsContact O-N 3.14Å |
| 303 | Q | 76 | Confident | 71.2 | Confident | 99 Ų | 99 | 75.5 Ų | 75.5 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 177.7 | -72 | 175.6 | -22.6 | 0 | 0 | 112.3 | V299 M300 Y301 L305 D306 W307 | V299-Q303 PolarHBondContact O-N 3.35Å; M300-Q303 PolarHBondContact O-N 2.83Å; Y301-Q303 PolarHBondContact O-N 3.35Å; Q303-L305 VanDerWaalsContact C-N 3.3Å; Q303-L305 PolarHBondContact O-N 3.49Å; Q303-D306 WeakPolarHBondContact O-CB 3.22Å; Q303-D306 PolarHBondContact O-N 3.32Å; Q303-D306 VanDerWaalsContact O-N 3.14Å; Q303-W307 VanDerWaalsContact O-CD1 3.3Å; Q303-W307 PolarHBondContact O-N 3.47Å |
| 304 | L | 79 | Confident | 73.5 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 45% | 0.45 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 176.1 | 178.8 | 63.1 | 0 | 0 | 0 | 111.6 | L192 M300 Y301 D306 W307 L308 | L192-L304 HydrophobicContact CD2-CD2 3.99Å; M300-L304 WeakPolarHBondContact O-CB 3.42Å; M300-L304 PolarHBondContact O-N 3.22Å; Y301-L304 PolarHBondContact O-N 3.32Å; L304-D306 VanDerWaalsContact C-N 3.34Å; L304-W307 WeakPolarHBondContact O-CB 3.33Å; L304-W307 PolarHBondContact O-N 3.3Å; L304-L308 PolarHBondContact O-N 2.96Å |
| 305 | L | 77.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.6 | -35.1 | 177 | -65 | 179.4 | 0 | 0 | 0 | 112.2 | V196 Y301 G302 Q303 L308 R309 | V196-L305 HydrophobicContact CB-CD2 4.37Å; V196-L305 HydrophobicContact CG2-CB 3.86Å; V196-L305 HydrophobicContact CG2-CD2 3.29Å; V196-L305 HydrophobicContact CG2-CG 4.03Å; Y301-L305 HydrophobicContact CD1-CD1 3.92Å; Y301-L305 HydrophobicContact CD1-CG 4.45Å; Y301-L305 HydrophobicContact CE1-CD1 3.56Å; Y301-L305 HydrophobicContact CE1-CD2 4.43Å; Y301-L305 HydrophobicContact CE1-CG 4.22Å; Y301-L305 HydrophobicContact CE2-CD2 4.17Å; Y301-L305 HydrophobicContact CE2-CG 4.44Å; Y301-L305 VanDerWaalsContact O-CG 3.23Å; Y301-L305 WeakPolarHBondContact O-CG 3.18Å; Y301-L305 PolarHBondContact O-N 3.44Å; Y301-L305 VanDerWaalsContact O-N 3.07Å; G302-L305 PolarHBondContact O-N 2.82Å; Q303-L305 VanDerWaalsContact C-N 3.3Å; Q303-L305 PolarHBondContact O-N 3.49Å; L305-L308 PolarHBondContact O-N 3.49Å; L305-R309 WeakPolarHBondContact O-CG 3.37Å; L305-R309 PolarHBondContact O-N 2.95Å |
| 306 | D | 80.7 | Confident | 77.5 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 173 | -78.7 | 16.3 | 0 | 0 | 0 | 111.7 | K78 G302 Q303 L304 R309 Y310 | K78-D306 IonicContact NZ-OD2 2.7Å; K78-D306 PolarHBondContact NZ-OD2 3.11Å; G302-D306 PolarHBondContact O-N 2.8Å; G302-D306 VanDerWaalsContact O-N 3.14Å; Q303-D306 WeakPolarHBondContact O-CB 3.22Å; Q303-D306 PolarHBondContact O-N 3.32Å; Q303-D306 VanDerWaalsContact O-N 3.14Å; L304-D306 VanDerWaalsContact C-N 3.34Å; D306-R309 PolarHBondContact O-N 3.47Å; D306-R309 IonicContact OD1-CZ 3.01Å; D306-R309 IonicContact OD1-NH1 3.39Å; D306-R309 PolarHBondContact OD1-NH1 3.38Å; D306-R309 IonicContact OD1-NH2 3.35Å; D306-Y310 PolarHBondContact O-N 2.9Å |
| 307 | W | 85.4 | Confident | 79.3 | Confident | 184 Ų | 184 | 61.3 Ų | 61.3 | 70% | 0.697 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 172.8 | -85.2 | 101.7 | 0 | 0 | 0 | 112.5 | Q303 L304 R309 Y310 L311 | Q303-W307 VanDerWaalsContact O-CD1 3.3Å; Q303-W307 PolarHBondContact O-N 3.47Å; L304-W307 WeakPolarHBondContact O-CB 3.33Å; L304-W307 PolarHBondContact O-N 3.3Å; W307-R309 VanDerWaalsContact C-N 3.32Å; W307-R309 PolarHBondContact O-N 3.06Å; W307-Y310 WeakPolarHBondContact O-CB 3.24Å; W307-Y310 PolarHBondContact O-N 3.38Å; W307-Y310 VanDerWaalsContact O-N 3.17Å; W307-L311 PolarHBondContact O-N 3Å |
| 308 | L | 86.9 | Confident | 81.2 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 178.2 | -167.4 | 74.5 | 0 | 0 | 0 | 111.9 | L192 V196 L304 L305 Y310 L311 V312 | L192-L308 HydrophobicContact CB-CD2 3.64Å; L192-L308 WeakPolarHBondContact O-CD2 3.5Å; V196-L308 HydrophobicContact CB-CD2 4.42Å; V196-L308 HydrophobicContact CG2-CB 4.17Å; V196-L308 HydrophobicContact CG2-CD2 3.45Å; V196-L308 VanDerWaalsContact CG2-CD2 3.45Å; V196-L308 HydrophobicContact CG2-CG 4.33Å; L304-L308 PolarHBondContact O-N 2.96Å; L305-L308 PolarHBondContact O-N 3.49Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.35Å; L308-L311 PolarHBondContact O-N 3.09Å; L308-V312 HydrophobicContact CD1-CG2 3.96Å; L308-V312 HydrophobicContact CG-CG2 4.02Å; L308-V312 WeakPolarHBondContact O-CB 3.23Å; L308-V312 WeakPolarHBondContact O-CG2 3.24Å; L308-V312 PolarHBondContact O-N 3.08Å |
| 309 | R | 89.3 | Confident | 83 | Confident | 18 Ų | 18 | 56 Ų | 56 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -41 | 174.7 | -70.9 | -167.1 | -149 | 89.4 | -9.2 | 111.7 | T89 M93 V196 D200 L305 D306 W307 A313 | T89-R309 HydrophobicContact CG2-CB 3.85Å; T89-R309 HydrophobicContact CG2-CG 4.05Å; M93-R309 HydrophobicContact CG-CG 4.44Å; M93-R309 HydrophobicContact SD-CG 4.28Å; V196-R309 HydrophobicContact CG1-CG 3.62Å; D200-R309 IonicContact OD1-CZ 3.04Å; D200-R309 IonicContact OD1-NE 2.65Å; D200-R309 IonicContact OD1-NH2 3.92Å; D200-R309 PolarHBondContact OD1-NH2 2.84Å; D200-R309 IonicContact OD2-CZ 3.7Å; D200-R309 IonicContact OD2-NE 3.43Å; D200-R309 PolarHBondContact OD2-NE 3.4Å; D200-R309 IonicContact OD2-NH2 2.63Å; L305-R309 WeakPolarHBondContact O-CG 3.37Å; L305-R309 PolarHBondContact O-N 2.95Å; D306-R309 PolarHBondContact O-N 3.47Å; D306-R309 IonicContact OD1-CZ 3.01Å; D306-R309 IonicContact OD1-NH1 3.39Å; D306-R309 PolarHBondContact OD1-NH1 3.38Å; D306-R309 IonicContact OD1-NH2 3.35Å; W307-R309 VanDerWaalsContact C-N 3.32Å; W307-R309 PolarHBondContact O-N 3.06Å; R309-A313 WeakPolarHBondContact O-CA 3.42Å; R309-A313 WeakPolarHBondContact O-CB 3.49Å; R309-A313 PolarHBondContact O-N 3.14Å |
| 310 | Y | 89.7 | Confident | 84.6 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -62.5 | -50.3 | 174.9 | 178 | -96.6 | 0 | 0 | 0 | 111.5 | L67 L74 D306 W307 L308 V312 W314 Q315 I318 | L67-Y310 WeakPolarHBondContact CD2-OH 3.21Å; L74-Y310 HydrophobicContact CD1-CD2 4.21Å; L74-Y310 HydrophobicContact CD1-CE2 4.13Å; D306-Y310 PolarHBondContact O-N 2.9Å; W307-Y310 WeakPolarHBondContact O-CB 3.24Å; W307-Y310 PolarHBondContact O-N 3.38Å; W307-Y310 VanDerWaalsContact O-N 3.17Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.35Å; Y310-V312 PolarHBondContact O-N 3.2Å; Y310-W314 HydrophobicContact CD2-CB 4.02Å; Y310-W314 HydrophobicContact CE2-CB 4.41Å; Y310-W314 CarbonylContact O-C 3.58Å; Y310-W314 WeakPolarHBondContact O-CA 3.46Å; Y310-W314 PolarHBondContact O-N 3.06Å; Y310-Q315 PolarHBondContact O-N 3.19Å; Y310-I318 HydrophobicContact CE2-CD1 3.86Å |
| 311 | L | 89.3 | Confident | 86.2 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -61.4 | -46 | -177.9 | -168.2 | 84.3 | 0 | 0 | 0 | 112.7 | W307 L308 Q315 | W307-L311 PolarHBondContact O-N 3Å; L308-L311 PolarHBondContact O-N 3.09Å; L311-Q315 WeakPolarHBondContact O-CB 2.99Å |
| 312 | V | 90.2 | Very high | 87.3 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -87.4 | -37.2 | -171.9 | 177 | 0 | 0 | 0 | 0 | 112.2 | M93 V96 P97 F189 Y193 L308 Y310 | M93-V312 HydrophobicContact CE-CG1 4.41Å; M93-V312 HydrophobicContact SD-CB 3.91Å; M93-V312 HydrophobicContact SD-CG1 3.95Å; V96-V312 WeakPolarHBondContact CG1-O 3.45Å; P97-V312 HydrophobicContact CG-CG1 3.7Å; F189-V312 HydrophobicContact CE2-CG2 4.4Å; Y193-V312 HydrophobicContact CE2-CG1 4.5Å; L308-V312 HydrophobicContact CD1-CG2 3.96Å; L308-V312 HydrophobicContact CG-CG2 4.02Å; L308-V312 WeakPolarHBondContact O-CB 3.23Å; L308-V312 WeakPolarHBondContact O-CG2 3.24Å; L308-V312 PolarHBondContact O-N 3.08Å; Y310-V312 PolarHBondContact O-N 3.2Å |
| 313 | A | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -96.5 | -47.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T89 Q92 M93 R309 V317 | T89-A313 HydrophobicContact CG2-CB 4.43Å; Q92-A313 HydrophobicContact CB-CB 3.82Å; M93-A313 HydrophobicContact CG-CB 3.87Å; M93-A313 HydrophobicContact SD-CB 3.87Å; R309-A313 WeakPolarHBondContact O-CA 3.42Å; R309-A313 WeakPolarHBondContact O-CB 3.49Å; R309-A313 PolarHBondContact O-N 3.14Å; A313-V317 WeakPolarHBondContact O-CG2 3.46Å |
| 314 | W | 92.3 | Very high | 89 | Confident | 21 Ų | 21 | 51 Ų | 51 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -93.6 | -37.9 | -169.4 | -72.1 | 105.8 | 0 | 0 | 0 | 113.6 | L74 W77 Y85 V88 T89 Y310 V317 I318 | L74-W314 HydrophobicContact CD1-CB 4.09Å; L74-W314 HydrophobicContact CD1-CD2 3.93Å; L74-W314 HydrophobicContact CD1-CE3 4.23Å; L74-W314 HydrophobicContact CD1-CG 3.86Å; L74-W314 HydrophobicContact CD2-CD2 3.56Å; L74-W314 HydrophobicContact CD2-CE3 3.64Å; L74-W314 HydrophobicContact CD2-CG 4.28Å; L74-W314 HydrophobicContact CD2-CH2 3.77Å; L74-W314 HydrophobicContact CD2-CZ2 3.66Å; L74-W314 HydrophobicContact CD2-CZ3 3.74Å; L74-W314 HydrophobicContact CG-CD2 4.42Å; W77-W314 HydrophobicContact CE3-CH2 4.31Å; W77-W314 HydrophobicContact CH2-CH2 4.24Å; W77-W314 AromaticContact CZ3-CH2 3.51Å; W77-W314 HydrophobicContact CZ3-CH2 3.51Å; W77-W314 HydrophobicContact CZ3-CZ2 4Å; W77-W314 HydrophobicContact CZ3-CZ3 4.48Å; Y85-W314 HydrophobicContact CE2-CZ2 4.45Å; V88-W314 HydrophobicContact CG1-CH2 3.9Å; V88-W314 HydrophobicContact CG1-CZ2 4.07Å; T89-W314 PolarHBondContact OG1-NE1 2.89Å; Y310-W314 HydrophobicContact CD2-CB 4.02Å; Y310-W314 HydrophobicContact CE2-CB 4.41Å; Y310-W314 CarbonylContact O-C 3.58Å; Y310-W314 WeakPolarHBondContact O-CA 3.46Å; Y310-W314 PolarHBondContact O-N 3.06Å; W314-V317 WeakPolarHBondContact O-CB 3.48Å; W314-V317 PolarHBondContact O-N 3.12Å; W314-V317 VanDerWaalsContact O-N 3.13Å; W314-I318 HydrophobicContact CB-CD1 4.39Å; W314-I318 VanDerWaalsContact O-CG1 3.29Å; W314-I318 WeakPolarHBondContact O-CG1 3.03Å; W314-I318 PolarHBondContact O-N 3.43Å |
| 315 | Q | 91.8 | Very high | 89.5 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | -178.6 | -172.8 | -172.8 | 0.7 | 0 | 0 | 112.7 | Y310 L311 V317 I318 I319 | Y310-Q315 PolarHBondContact O-N 3.19Å; L311-Q315 WeakPolarHBondContact O-CB 2.99Å; Q315-V317 VanDerWaalsContact C-N 3.29Å; Q315-V317 PolarHBondContact O-N 3.19Å; Q315-I318 PolarHBondContact O-N 3.33Å; Q315-I319 HydrophobicContact CG-CD1 3.84Å; Q315-I319 HydrophobicContact CG-CG1 4.38Å; Q315-I319 VanDerWaalsContact O-CG1 3.32Å; Q315-I319 WeakPolarHBondContact O-CG1 3.45Å; Q315-I319 PolarHBondContact O-N 3.43Å |
| 316 | P | 92.1 | Very high | 90.1 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 23% | 0.234 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -33.6 | 177.2 | -23.3 | 36.7 | 0 | 0 | 0 | 113 | V96 F100 G320 | V96-P316 HydrophobicContact CG1-CB 3.99Å; V96-P316 HydrophobicContact CG1-CG 3.88Å; F100-P316 HydrophobicContact CE2-CB 3.65Å; F100-P316 HydrophobicContact CE2-CG 4.13Å; F100-P316 HydrophobicContact CZ-CB 3.99Å; P316-G320 PolarHBondContact O-N 3.31Å |
| 317 | V | 91.9 | Very high | 90.5 | Very high | 63 Ų | 63 | 55 Ų | 55 | 38% | 0.382 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 175.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | A313 W314 Q315 G320 L321 | A313-V317 WeakPolarHBondContact O-CG2 3.46Å; W314-V317 WeakPolarHBondContact O-CB 3.48Å; W314-V317 PolarHBondContact O-N 3.12Å; W314-V317 VanDerWaalsContact O-N 3.13Å; Q315-V317 VanDerWaalsContact C-N 3.29Å; Q315-V317 PolarHBondContact O-N 3.19Å; V317-G320 PolarHBondContact O-N 3.48Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 PolarHBondContact O-N 2.83Å |
| 318 | I | 92.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 178 | -62.6 | 162.4 | 0 | 0 | 0 | 110.6 | T66 L67 A70 L74 Y310 W314 Q315 L321 V322 | T66-I318 HydrophobicContact CG2-CG2 4.25Å; L67-I318 HydrophobicContact CD2-CD1 4.47Å; L67-I318 HydrophobicContact CD2-CG2 3.73Å; L67-I318 HydrophobicContact CG-CG2 4.32Å; A70-I318 HydrophobicContact CB-CD1 3.76Å; A70-I318 HydrophobicContact CB-CG1 3.91Å; A70-I318 HydrophobicContact CB-CG2 4.4Å; L74-I318 HydrophobicContact CD1-CD1 4.47Å; Y310-I318 HydrophobicContact CE2-CD1 3.86Å; W314-I318 HydrophobicContact CB-CD1 4.39Å; W314-I318 VanDerWaalsContact O-CG1 3.29Å; W314-I318 WeakPolarHBondContact O-CG1 3.03Å; W314-I318 PolarHBondContact O-N 3.43Å; Q315-I318 PolarHBondContact O-N 3.33Å; I318-L321 WeakPolarHBondContact O-CB 3.44Å; I318-L321 PolarHBondContact O-N 3.44Å; I318-V322 WeakPolarHBondContact O-CG2 3.24Å; I318-V322 PolarHBondContact O-N 3.21Å |
| 319 | I | 91.5 | Very high | 90.7 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 34% | 0.338 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.3 | -68.6 | 170.6 | 0 | 0 | 0 | 110.6 | Q315 L321 V322 Q323 | Q315-I319 HydrophobicContact CG-CD1 3.84Å; Q315-I319 HydrophobicContact CG-CG1 4.38Å; Q315-I319 VanDerWaalsContact O-CG1 3.32Å; Q315-I319 WeakPolarHBondContact O-CG1 3.45Å; Q315-I319 PolarHBondContact O-N 3.43Å; I319-L321 VanDerWaalsContact C-N 3.28Å; I319-L321 PolarHBondContact O-N 2.84Å; I319-V322 PolarHBondContact O-N 3.19Å; I319-V322 VanDerWaalsContact O-N 3.17Å; I319-Q323 HydrophobicContact CG2-CG 4.47Å; I319-Q323 WeakPolarHBondContact O-CG 3.26Å; I319-Q323 PolarHBondContact O-N 3.39Å |
| 320 | G | 91.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 59 Ų | 59 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P316 V317 G324 | P316-G320 PolarHBondContact O-N 3.31Å; V317-G320 PolarHBondContact O-N 3.48Å; G320-G324 PolarHBondContact O-N 3.47Å |
| 321 | L | 92.8 | Very high | 89.7 | Confident | 98 Ų | 98 | 58 Ų | 58 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 172.6 | 178.2 | 66 | 0 | 0 | 0 | 111.5 | T66 V317 I318 I319 Q323 G324 I325 | T66-L321 HydrophobicContact CG2-CD2 4.05Å; V317-L321 WeakPolarHBondContact O-CB 3.39Å; V317-L321 PolarHBondContact O-N 2.83Å; I318-L321 WeakPolarHBondContact O-CB 3.44Å; I318-L321 PolarHBondContact O-N 3.44Å; I319-L321 VanDerWaalsContact C-N 3.28Å; I319-L321 PolarHBondContact O-N 2.84Å; L321-Q323 VanDerWaalsContact C-N 3.35Å; L321-Q323 PolarHBondContact O-N 3.03Å; L321-G324 PolarHBondContact O-N 2.66Å; L321-I325 HydrophobicContact CD1-CD1 4.44Å; L321-I325 HydrophobicContact CG-CD1 4.09Å; L321-I325 WeakPolarHBondContact O-CG1 3.33Å; L321-I325 PolarHBondContact O-N 3.2Å |
| 322 | V | 92.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.7 | 171 | 0 | 0 | 0 | 0 | 111.1 | I62 L63 T66 I318 I319 G324 I325 N326 | I62-V322 HydrophobicContact CG2-CG1 4.37Å; L63-V322 HydrophobicContact CB-CG1 4.2Å; L63-V322 HydrophobicContact CD1-CB 4.42Å; L63-V322 HydrophobicContact CD1-CG1 4.22Å; L63-V322 HydrophobicContact CD1-CG2 3.95Å; T66-V322 HydrophobicContact CG2-CG2 3.64Å; I318-V322 WeakPolarHBondContact O-CG2 3.24Å; I318-V322 PolarHBondContact O-N 3.21Å; I319-V322 PolarHBondContact O-N 3.19Å; I319-V322 VanDerWaalsContact O-N 3.17Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.25Å; V322-I325 PolarHBondContact O-N 2.9Å; V322-N326 PolarHBondContact O-N 3.06Å |
| 323 | Q | 89.4 | Confident | 88.2 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.4 | -73.5 | 176.1 | -24.1 | 0 | 0 | 111.4 | I319 L321 I325 N326 Y327 | I319-Q323 HydrophobicContact CG2-CG 4.47Å; I319-Q323 WeakPolarHBondContact O-CG 3.26Å; I319-Q323 PolarHBondContact O-N 3.39Å; L321-Q323 VanDerWaalsContact C-N 3.35Å; L321-Q323 PolarHBondContact O-N 3.03Å; Q323-I325 VanDerWaalsContact C-N 3.34Å; Q323-I325 PolarHBondContact O-N 3.31Å; Q323-N326 PolarHBondContact O-N 2.82Å; Q323-Y327 WeakPolarHBondContact O-CB 3.35Å; Q323-Y327 PolarHBondContact O-N 2.86Å |
| 324 | G | 91.6 | Very high | 88.1 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G320 L321 V322 I328 | G320-G324 PolarHBondContact O-N 3.47Å; L321-G324 PolarHBondContact O-N 2.66Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.25Å; G324-I328 WeakPolarHBondContact O-CD1 3.3Å; G324-I328 VanDerWaalsContact O-CG1 3.22Å; G324-I328 WeakPolarHBondContact O-CG1 3.16Å; G324-I328 PolarHBondContact O-N 2.92Å; G324-I328 VanDerWaalsContact O-N 3.07Å |
| 325 | I | 90.8 | Very high | 87.9 | Confident | 54 Ų | 54 | 69.3 Ų | 69.3 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 175.6 | -67.6 | 165.4 | 0 | 0 | 0 | 110.4 | I62 L321 V322 Q323 Y327 I328 L329 | I62-I325 HydrophobicContact CG2-CB 4.5Å; I62-I325 HydrophobicContact CG2-CG2 3.88Å; L321-I325 HydrophobicContact CD1-CD1 4.44Å; L321-I325 HydrophobicContact CG-CD1 4.09Å; L321-I325 WeakPolarHBondContact O-CG1 3.33Å; L321-I325 PolarHBondContact O-N 3.2Å; V322-I325 PolarHBondContact O-N 2.9Å; Q323-I325 VanDerWaalsContact C-N 3.34Å; Q323-I325 PolarHBondContact O-N 3.31Å; I325-Y327 VanDerWaalsContact C-N 3.33Å; I325-Y327 PolarHBondContact O-N 3.32Å; I325-I328 PolarHBondContact O-N 3.13Å; I325-L329 HydrophobicContact CG2-CD1 3.77Å; I325-L329 HydrophobicContact CG2-CG 4.39Å; I325-L329 VanDerWaalsContact O-CG 3.32Å; I325-L329 WeakPolarHBondContact O-CG 3.21Å; I325-L329 PolarHBondContact O-N 3.47Å |
| 326 | N | 89 | Confident | 87.6 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.07 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 179.5 | -70.9 | -17.6 | 0 | 0 | 0 | 111.6 | I62 V322 Q323 I328 L329 G330 L331 | I62-N326 WeakPolarHBondContact CD1-OD1 3.19Å; V322-N326 PolarHBondContact O-N 3.06Å; Q323-N326 PolarHBondContact O-N 2.82Å; N326-I328 PolarHBondContact O-N 3.4Å; N326-L329 CarbonylContact O-C 3.55Å; N326-L329 PolarHBondContact O-N 2.69Å; N326-G330 PolarHBondContact O-N 3.03Å; N326-L331 HydrophobicContact CB-CB 4.35Å; N326-L331 PolarHBondContact O-N 3.43Å |
| 327 | Y | 89.4 | Confident | 87.3 | Confident | 161 Ų | 161 | 71.4 Ų | 71.4 | 63% | 0.631 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.6 | -45.4 | 174.8 | 179.5 | -101 | 0 | 0 | 0 | 112.1 | Q323 I325 L329 G330 E332 | Q323-Y327 WeakPolarHBondContact O-CB 3.35Å; Q323-Y327 PolarHBondContact O-N 2.86Å; I325-Y327 VanDerWaalsContact C-N 3.33Å; I325-Y327 PolarHBondContact O-N 3.32Å; Y327-L329 VanDerWaalsContact C-N 3.29Å; Y327-L329 PolarHBondContact O-N 3.05Å; Y327-G330 PolarHBondContact O-N 3.42Å; Y327-G330 VanDerWaalsContact O-N 3.12Å; Y327-E332 WeakPolarHBondContact CD2-OE2 2.93Å |
| 328 | I | 90.6 | Very high | 87 | Confident | 139 Ų | 139 | 71.9 Ų | 71.9 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.3 | -35.7 | 177.8 | -69.5 | 165.3 | 0 | 0 | 0 | 111.5 | G324 I325 N326 G330 | G324-I328 WeakPolarHBondContact O-CD1 3.3Å; G324-I328 VanDerWaalsContact O-CG1 3.22Å; G324-I328 WeakPolarHBondContact O-CG1 3.16Å; G324-I328 PolarHBondContact O-N 2.92Å; G324-I328 VanDerWaalsContact O-N 3.07Å; I325-I328 PolarHBondContact O-N 3.13Å; N326-I328 PolarHBondContact O-N 3.4Å; I328-G330 PolarHBondContact O-N 3.13Å |
| 329 | L | 86.5 | Confident | 86.7 | Confident | 103 Ų | 103 | 76.6 Ų | 76.6 | 54% | 0.539 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.6 | 177.6 | -65.5 | 174.7 | 0 | 0 | 0 | 113.2 | I62 I325 N326 Y327 L331 | I62-L329 HydrophobicContact CD1-CD1 3.7Å; I325-L329 HydrophobicContact CG2-CD1 3.77Å; I325-L329 HydrophobicContact CG2-CG 4.39Å; I325-L329 VanDerWaalsContact O-CG 3.32Å; I325-L329 WeakPolarHBondContact O-CG 3.21Å; I325-L329 PolarHBondContact O-N 3.47Å; N326-L329 CarbonylContact O-C 3.55Å; N326-L329 PolarHBondContact O-N 2.69Å; Y327-L329 VanDerWaalsContact C-N 3.29Å; Y327-L329 PolarHBondContact O-N 3.05Å; L329-L331 VanDerWaalsContact C-N 3.25Å; L329-L331 HydrophobicContact CB-CD1 3.71Å; L329-L331 HydrophobicContact CB-CG 3.89Å; L329-L331 HydrophobicContact CD1-CD1 3.92Å; L329-L331 HydrophobicContact CG-CD1 4.49Å; L329-L331 PolarHBondContact O-N 2.96Å |
| 330 | G | 81.8 | Confident | 86.3 | Confident | 63 Ų | 63 | 77.4 Ų | 77.4 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 25.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N326 Y327 I328 E332 | N326-G330 PolarHBondContact O-N 3.03Å; Y327-G330 PolarHBondContact O-N 3.42Å; Y327-G330 VanDerWaalsContact O-N 3.12Å; I328-G330 PolarHBondContact O-N 3.13Å; G330-E332 VanDerWaalsContact C-N 3.33Å |
| 331 | L | 75.4 | Confident | 85.9 | Confident | 24 Ų | 24 | 80.8 Ų | 80.8 | 13% | 0.126 | 43% | 0.432 | C | S | . | . | trans | -91.4 | 13.4 | -178.3 | -67 | 168.7 | 0 | 0 | 0 | 112.7 | M55 E58 M59 I62 N326 L329 | M55-L331 HydrophobicContact CG-CD2 4.17Å; E58-L331 VanDerWaalsContact OE2-CD2 3.27Å; E58-L331 WeakPolarHBondContact OE2-CD2 3.28Å; M59-L331 WeakPolarHBondContact CE-O 3.36Å; M59-L331 HydrophobicContact CG-CB 4.48Å; I62-L331 HydrophobicContact CD1-CD1 3.59Å; N326-L331 HydrophobicContact CB-CB 4.35Å; N326-L331 PolarHBondContact O-N 3.43Å; L329-L331 VanDerWaalsContact C-N 3.25Å; L329-L331 HydrophobicContact CB-CD1 3.71Å; L329-L331 HydrophobicContact CB-CG 3.89Å; L329-L331 HydrophobicContact CD1-CD1 3.92Å; L329-L331 HydrophobicContact CG-CD1 4.49Å; L329-L331 PolarHBondContact O-N 2.96Å | ||
| 332 | E | 61.1 | Low | 85.3 | Confident | 165 Ų | 165 | 79.3 Ų | 79.3 | 77% | 0.771 | 43% | 0.425 | S | S | * | . | trans | -90.3 | 0 | 177.6 | -83.7 | -169.1 | 167 | 0 | 0 | 114 | Y327 G330 | Y327-E332 WeakPolarHBondContact CD2-OE2 2.93Å; G330-E332 VanDerWaalsContact C-N 3.33Å |
Retrieved 332 of 332 residues in 1825.2 ms
(Link to these results)