| 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 | 34 | Very low | 34.8 | Very low | 250 Ų | 250 | 156.4 Ų | 156.4 | 100% | 1.232 | 86% | 0.856 | S | S | * | * | 0 | 131.3 | 0 | -61.3 | 171.8 | -179.6 | 0 | 0 | 107.3 | |||||
| 2 | A | 34.1 | Very low | 34.6 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | cis | -164.6 | 142.8 | -24.1 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 3 | A | 33.3 | Very low | 35.6 | Very low | 99 Ų | 99 | 155.7 Ų | 155.7 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | trans | -75.5 | 163 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | P | 44.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 74% | 0.74 | 84% | 0.844 | S | S | * | * | trans | -99.8 | 148 | -178 | 35.5 | -27.5 | 0 | 0 | 0 | 114.7 | ||||
| 5 | K | 36.7 | Very low | 36.6 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | 69.5 | 98.6 | 143.5 | -68.5 | 173.5 | 179.5 | 177.9 | 0 | 119.7 | ||||
| 6 | A | 30.7 | Very low | 37 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -109.8 | 126.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | S | 36.2 | Very low | 37.6 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -103.1 | 113.5 | 170.2 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 8 | L | 33.3 | Very low | 38.4 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | -54.3 | 134.9 | 162.3 | -111.7 | 78.2 | 0 | 0 | 0 | 110.7 | V10 | L8-V10 HydrophobicContact CD2-CG2 3.71Å; L8-V10 HydrophobicContact CG-CG2 4.19Å | ||
| 9 | W | 29.5 | Very low | 38.7 | Very low | 261 Ų | 261 | 142.5 Ų | 142.5 | 99% | 0.989 | 80% | 0.801 | S | S | * | * | trans | -130.1 | 124.5 | 141.3 | -114.7 | 62.1 | 0 | 0 | 0 | 108.7 | ||||
| 10 | V | 33.8 | Very low | 39.2 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 62% | 0.624 | 79% | 0.788 | S | S | * | * | trans | -105.7 | 141 | -170.9 | 154.5 | 0 | 0 | 0 | 0 | 108.5 | L8 | L8-V10 HydrophobicContact CD2-CG2 3.71Å; L8-V10 HydrophobicContact CG-CG2 4.19Å | ||
| 11 | R | 36.3 | Very low | 39.8 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 81.9 | 112.9 | 153.1 | -132.8 | 164.7 | -173.3 | 163 | 0.5 | 117.9 | ||||
| 12 | T | 32.2 | Very low | 40.3 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | -147.6 | 102 | 123 | -52.5 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 13 | Q | 48.3 | Very low | 41 | Very low | 173 Ų | 173 | 133 Ų | 133 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | -78.6 | 112.6 | 163.8 | -81.1 | -91 | 24 | 0 | 0 | 106.3 | ||||
| 14 | L | 39.2 | Very low | 41.6 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -134 | 119.2 | 166.8 | -139 | 76.3 | 0 | 0 | 0 | 107.6 | ||||
| 15 | G | 46.6 | Very low | 41.6 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 16 | L | 43.5 | Very low | 41.8 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 141.2 | 158.1 | -93.6 | 86.8 | 0 | 0 | 0 | 109.5 | L20 | L16-L20 HydrophobicContact CD2-CD1 4.26Š|
| 17 | P | 46.4 | Very low | 42.3 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 48% | 0.481 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -73.1 | 152.9 | -175.6 | 30.7 | -33.6 | 0 | 0 | 0 | 111.6 | L19 L20 | P17-L19 PolarHBondContact O-N 3.47Å; P17-L20 PolarHBondContact O-N 2.98Å |
| 18 | P | 52.1 | Low | 42.5 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -11.3 | -177.4 | -17.1 | 29.6 | 0 | 0 | 0 | 114.7 | L20 | P18-L20 VanDerWaalsContact C-N 3.34Å; P18-L20 PolarHBondContact O-N 3.45Å |
| 19 | L | 44.6 | Very low | 42.9 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.5 | -24.4 | -178.7 | -101.7 | 121.6 | 0 | 0 | 0 | 113.9 | P17 | P17-L19 PolarHBondContact O-N 3.47Å |
| 20 | L | 49.3 | Very low | 43.5 | Very low | 103 Ų | 103 | 115.9 Ų | 115.9 | 54% | 0.539 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -82.6 | -16.2 | -177.8 | -113.8 | 149.7 | 0 | 0 | 0 | 113.6 | L16 P17 P18 T23 | L16-L20 HydrophobicContact CD2-CD1 4.26Å; P17-L20 PolarHBondContact O-N 2.98Å; P18-L20 VanDerWaalsContact C-N 3.34Å; P18-L20 PolarHBondContact O-N 3.45Å; L20-T23 PolarHBondContact O-OG1 3.12Å; L20-T23 VanDerWaalsContact O-OG1 3.12Å |
| 21 | L | 50.5 | Low | 43.8 | Very low | 140 Ų | 140 | 114.1 Ų | 114.1 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -86.8 | -27.1 | 173.6 | -83.6 | 153.8 | 0 | 0 | 0 | 112.1 | A25 | L21-A25 PolarHBondContact O-N 3.39Å |
| 22 | L | 44.7 | Very low | 44 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 59% | 0.586 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.6 | -29.8 | 175.6 | -98.8 | 126 | 0 | 0 | 0 | 113 | A25 L26 | L22-A25 PolarHBondContact O-N 3.31Å; L22-L26 PolarHBondContact O-N 3.38Å |
| 23 | T | 48.3 | Very low | 44.3 | Very low | 81 Ų | 81 | 106.8 Ų | 106.8 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -71.1 | -30.1 | 176.5 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | L20 A27 | L20-T23 PolarHBondContact O-OG1 3.12Å; L20-T23 VanDerWaalsContact O-OG1 3.12Å; T23-A27 PolarHBondContact O-N 3.5Å |
| 24 | M | 47.7 | Very low | 44 | Very low | 145 Ų | 145 | 101.6 Ų | 101.6 | 71% | 0.714 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.4 | -23.1 | 175.2 | -64.1 | -61.9 | -78.8 | 0 | 0 | 112.8 | ||
| 25 | A | 43.8 | Very low | 44.3 | Very low | 80 Ų | 80 | 96.4 Ų | 96.4 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -79.5 | -27 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L21 L22 | L21-A25 PolarHBondContact O-N 3.39Å; L22-A25 PolarHBondContact O-N 3.31Å |
| 26 | L | 40.8 | Very low | 44.4 | Very low | 145 Ų | 145 | 99.8 Ų | 99.8 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -86.6 | -12.9 | 176.6 | -81 | 149.6 | 0 | 0 | 0 | 113.8 | L22 | L22-L26 PolarHBondContact O-N 3.38Å |
| 27 | A | 41.5 | Very low | 44.8 | Very low | 81 Ų | 81 | 95.9 Ų | 95.9 | 67% | 0.669 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -94.9 | -5.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T23 | T23-A27 PolarHBondContact O-N 3.5Š|
| 28 | G | 40.6 | Very low | 45 | Very low | 72 Ų | 72 | 97.9 Ų | 97.9 | 74% | 0.742 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -90.7 | 7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 29 | G | 41.4 | Very low | 45.1 | Very low | 64 Ų | 64 | 96 Ų | 96 | 66% | 0.66 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -145.2 | 45 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 30 | S | 41.3 | Very low | 45.6 | Very low | 105 Ų | 105 | 93.9 Ų | 93.9 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | trans | -150 | 56.6 | 171.8 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 31 | G | 39.9 | Very low | 45.9 | Very low | 67 Ų | 67 | 92.9 Ų | 92.9 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -93.6 | -12.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 32 | T | 41.6 | Very low | 46.4 | Very low | 119 Ų | 119 | 87.4 Ų | 87.4 | 73% | 0.73 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -117.7 | -17.6 | -166.9 | 56.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 33 | A | 39.4 | Very low | 47.4 | Very low | 73 Ų | 73 | 82.3 Ų | 82.3 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -86.2 | -24 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 34 | S | 40.8 | Very low | 48.5 | Very low | 64 Ų | 64 | 84 Ų | 84 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.4 | -27.6 | 179.7 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | A37 F38 | S34-A37 PolarHBondContact O-N 3.43Å; S34-F38 WeakPolarHBondContact O-CD2 3.21Å; S34-F38 PolarHBondContact O-N 3.43Å |
| 35 | A | 46.3 | Very low | 50 | Low | 40 Ų | 40 | 77.2 Ų | 77.2 | 33% | 0.331 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F38 D39 | A35-F38 PolarHBondContact O-N 3.38Å; A35-D39 PolarHBondContact O-N 3.48Å |
| 36 | E | 47.5 | Very low | 51.9 | Low | 149 Ų | 149 | 74.9 Ų | 74.9 | 70% | 0.696 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.5 | -35.7 | 179.7 | -62.6 | -168.3 | 151.9 | 0 | 0 | 112.8 | F38 D39 S40 | E36-F38 VanDerWaalsContact C-N 3.32Å; E36-F38 PolarHBondContact O-N 3.42Å; E36-D39 PolarHBondContact O-N 3.12Å; E36-S40 PolarHBondContact O-N 3.32Å |
| 37 | A | 52.2 | Low | 54.2 | Low | 59 Ų | 59 | 69.9 Ų | 69.9 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S34 S40 | S34-A37 PolarHBondContact O-N 3.43Å; A37-S40 PolarHBondContact O-OG 3.24Å |
| 38 | F | 50.9 | Low | 56.5 | Low | 116 Ų | 116 | 66 Ų | 66 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -78.2 | -29.7 | 176.1 | -68.9 | -67.2 | 0 | 0 | 0 | 113.1 | S34 A35 E36 S40 V41 L42 | S34-F38 WeakPolarHBondContact O-CD2 3.21Å; S34-F38 PolarHBondContact O-N 3.43Å; A35-F38 PolarHBondContact O-N 3.38Å; E36-F38 VanDerWaalsContact C-N 3.32Å; E36-F38 PolarHBondContact O-N 3.42Å; F38-S40 PolarHBondContact O-N 2.78Å; F38-V41 PolarHBondContact O-N 3.16Å; F38-V41 VanDerWaalsContact O-N 3.14Å; F38-L42 HydrophobicContact CB-CD1 3.94Å; F38-L42 VanDerWaalsContact O-CB 3.27Å; F38-L42 WeakPolarHBondContact O-CB 3.21Å; F38-L42 WeakPolarHBondContact O-CG 3.48Å; F38-L42 PolarHBondContact O-N 3.17Å |
| 39 | D | 54.3 | Low | 58.8 | Low | 62 Ų | 62 | 64.9 Ų | 64.9 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.2 | -33.2 | 174.5 | -92.1 | -26.7 | 0 | 0 | 0 | 112.2 | A35 E36 V41 G43 | A35-D39 PolarHBondContact O-N 3.48Å; E36-D39 PolarHBondContact O-N 3.12Å; D39-V41 PolarHBondContact O-N 2.96Å; D39-G43 PolarHBondContact O-N 2.96Å; D39-G43 VanDerWaalsContact O-N 3.11Å |
| 40 | S | 55.4 | Low | 61.1 | Low | 94 Ų | 94 | 69 Ų | 69 | 66% | 0.657 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.4 | -30.4 | 175.7 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | E36 A37 F38 | E36-S40 PolarHBondContact O-N 3.32Å; A37-S40 PolarHBondContact O-OG 3.24Å; F38-S40 PolarHBondContact O-N 2.78Å |
| 41 | V | 55.5 | Low | 63.4 | Low | 82 Ų | 82 | 65.1 Ų | 65.1 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -96.9 | -38 | -177.4 | 177.6 | 0 | 0 | 0 | 0 | 112 | F38 D39 G43 F82 | F38-V41 PolarHBondContact O-N 3.16Å; F38-V41 VanDerWaalsContact O-N 3.14Å; D39-V41 PolarHBondContact O-N 2.96Å; V41-G43 VanDerWaalsContact C-N 3.3Å; V41-G43 PolarHBondContact O-N 2.93Å; V41-F82 HydrophobicContact CG1-CD2 4.31Å; V41-F82 HydrophobicContact CG1-CE2 3.89Å; V41-F82 HydrophobicContact CG1-CZ 4.3Å |
| 42 | L | 61.3 | Low | 65.8 | Low | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -83 | -5.9 | -177.8 | -66.9 | 170.6 | 0 | 0 | 0 | 113.2 | F38 S78 I79 F82 | F38-L42 HydrophobicContact CB-CD1 3.94Å; F38-L42 VanDerWaalsContact O-CB 3.27Å; F38-L42 WeakPolarHBondContact O-CB 3.21Å; F38-L42 WeakPolarHBondContact O-CG 3.48Å; F38-L42 PolarHBondContact O-N 3.17Å; L42-S78 WeakPolarHBondContact O-CB 3.48Å; L42-S78 PolarHBondContact O-OG 3.29Å; L42-I79 HydrophobicContact CD1-CG1 3.97Å; L42-I79 HydrophobicContact CD2-CB 4.35Å; L42-I79 HydrophobicContact CD2-CG1 3.69Å; L42-I79 HydrophobicContact CG-CG1 4.49Å; L42-F82 HydrophobicContact CD2-CB 4.37Å |
| 43 | G | 64.2 | Low | 68.1 | Low | 5 Ų | 5 | 61.2 Ų | 61.2 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | trans | 82.1 | 156.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D39 V41 T45 | D39-G43 PolarHBondContact O-N 2.96Å; D39-G43 VanDerWaalsContact O-N 3.11Å; V41-G43 VanDerWaalsContact C-N 3.3Å; V41-G43 PolarHBondContact O-N 2.93Å; G43-T45 PolarHBondContact O-N 2.95Å; G43-T45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | D | 71.4 | Confident | 70.4 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 62% | 0.62 | 36% | 0.359 | S | S | * | . | trans | -71.2 | 105.6 | -170.9 | -163.1 | -2.6 | 0 | 0 | 0 | 111.3 | A46 | D44-A46 VanDerWaalsContact C-N 3.27Å; D44-A46 WeakPolarHBondContact OD1-CB 3.13Å; D44-A46 PolarHBondContact OD1-N 3.45Å | ||
| 45 | T | 80.4 | Confident | 72.5 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.6 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | G43 S47 C48 H49 | G43-T45 PolarHBondContact O-N 2.95Å; G43-T45 VanDerWaalsContact O-N 3.09Å; T45-S47 PolarHBondContact O-N 3.25Å; T45-S47 VanDerWaalsContact O-N 3.14Å; T45-C48 PolarHBondContact O-N 3.38Å; T45-C48 VanDerWaalsContact O-N 3.11Å; T45-H49 PolarHBondContact O-N 3.46Å; T45-H49 PolarHBondContact OG1-CE1 2.71Å; T45-H49 VanDerWaalsContact OG1-CE1 3.31Å |
| 46 | A | 84 | Confident | 74.3 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.5 | -32.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D44 R50 | D44-A46 VanDerWaalsContact C-N 3.27Å; D44-A46 WeakPolarHBondContact OD1-CB 3.13Å; D44-A46 PolarHBondContact OD1-N 3.45Å; A46-R50 WeakPolarHBondContact O-CG 2.96Å; A46-R50 PolarHBondContact O-N 2.94Å; A46-R50 VanDerWaalsContact O-N 3.09Å |
| 47 | S | 87.6 | Confident | 75.6 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 177.4 | -164.9 | 0 | 0 | 0 | 0 | 112.2 | T45 R50 A51 F123 | T45-S47 PolarHBondContact O-N 3.25Å; T45-S47 VanDerWaalsContact O-N 3.14Å; S47-R50 PolarHBondContact O-N 3.16Å; S47-A51 PolarHBondContact O-N 3.46Å; S47-A51 VanDerWaalsContact O-N 3.13Å; S47-F123 WeakPolarHBondContact OG-CE1 3.08Å; S47-F123 WeakPolarHBondContact OG-CZ 3.39Å |
| 48 | C | 90 | Very high | 76.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 112 | T45 R50 A51 C52 C74 G116 | T45-C48 PolarHBondContact O-N 3.38Å; T45-C48 VanDerWaalsContact O-N 3.11Å; C48-R50 VanDerWaalsContact C-N 3.31Å; C48-R50 PolarHBondContact O-N 3.05Å; C48-A51 WeakPolarHBondContact O-CA 2.91Å; C48-A51 WeakPolarHBondContact O-CB 3.22Å; C48-A51 PolarHBondContact O-N 3.12Å; C48-A51 VanDerWaalsContact O-N 3.09Å; C48-C52 PolarHBondContact O-N 3.46Å; C48-C74 HydrophobicContact CB-CB 3.7Å; C48-C74 WeakPolarHBondContact CB-SG 3.42Å; C48-C74 WeakPolarHBondContact SG-CB 3.35Å; C48-C74 CovalentContact SG-SG 2.04Å; C48-C74 PolarHBondContact SG-SG 2.96Å; C48-G116 PolarHBondContact SG-O 3.41Å; C48-G116 VanDerWaalsContact SG-O 3.42Å |
| 49 | H | 90.4 | Very high | 77.1 | Confident | 48 Ų | 48 | 62.5 Ų | 62.5 | 22% | 0.222 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 172.5 | -70.3 | 173.6 | 0 | 0 | 0 | 112.4 | T45 C52 Q53 Q71 | T45-H49 PolarHBondContact O-N 3.46Å; T45-H49 PolarHBondContact OG1-CE1 2.71Å; T45-H49 VanDerWaalsContact OG1-CE1 3.31Å; H49-C52 PolarHBondContact O-N 3.33Å; H49-Q53 VanDerWaalsContact O-CG 3.32Å; H49-Q53 WeakPolarHBondContact O-CG 3.3Å; H49-Q53 PolarHBondContact O-N 3.39Å; H49-Q71 PolarHBondContact NE2-O 2.9Å |
| 50 | R | 89.6 | Confident | 77.7 | Confident | 151 Ų | 151 | 64 Ų | 64 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.9 | -40.7 | 172.8 | -72 | -173.4 | -144.6 | 111 | 2.8 | 111.8 | A46 S47 C48 Q53 L54 | A46-R50 WeakPolarHBondContact O-CG 2.96Å; A46-R50 PolarHBondContact O-N 2.94Å; A46-R50 VanDerWaalsContact O-N 3.09Å; S47-R50 PolarHBondContact O-N 3.16Å; C48-R50 VanDerWaalsContact C-N 3.31Å; C48-R50 PolarHBondContact O-N 3.05Å; R50-Q53 PolarHBondContact O-N 3.29Å; R50-L54 WeakPolarHBondContact O-CG 3.22Å; R50-L54 PolarHBondContact O-N 3.29Å |
| 51 | A | 89.4 | Confident | 78.3 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 20% | 0.198 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | S47 C48 Q53 L54 T55 | S47-A51 PolarHBondContact O-N 3.46Å; S47-A51 VanDerWaalsContact O-N 3.13Å; C48-A51 WeakPolarHBondContact O-CA 2.91Å; C48-A51 WeakPolarHBondContact O-CB 3.22Å; C48-A51 PolarHBondContact O-N 3.12Å; C48-A51 VanDerWaalsContact O-N 3.09Å; A51-Q53 VanDerWaalsContact C-N 3.35Å; A51-Q53 PolarHBondContact O-N 3.23Å; A51-L54 PolarHBondContact O-N 3.42Å; A51-L54 VanDerWaalsContact O-N 3.16Å; A51-T55 PolarHBondContact O-N 3.1Å; A51-T55 PolarHBondContact O-OG1 3.04Å |
| 52 | C | 90.5 | Very high | 78.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 175.1 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | C48 H49 L54 T55 Y56 C70 Q71 | C48-C52 PolarHBondContact O-N 3.46Å; H49-C52 PolarHBondContact O-N 3.33Å; C52-L54 VanDerWaalsContact C-N 3.31Å; C52-L54 PolarHBondContact O-N 3.31Å; C52-T55 PolarHBondContact O-N 3.16Å; C52-Y56 PolarHBondContact O-N 3.44Å; C52-C70 HydrophobicContact CB-CB 3.77Å; C52-C70 WeakPolarHBondContact CB-SG 3.24Å; C52-C70 WeakPolarHBondContact SG-CB 3.37Å; C52-C70 CovalentContact SG-SG 2.05Å; C52-C70 PolarHBondContact SG-SG 2.91Å; C52-Q71 HydrophobicContact CB-CG 4.29Å |
| 53 | Q | 90 | Very high | 79.2 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -34.3 | 177 | -73.2 | 172.1 | 6.8 | 0 | 0 | 112.9 | H49 R50 A51 L67 | H49-Q53 VanDerWaalsContact O-CG 3.32Å; H49-Q53 WeakPolarHBondContact O-CG 3.3Å; H49-Q53 PolarHBondContact O-N 3.39Å; R50-Q53 PolarHBondContact O-N 3.29Å; A51-Q53 VanDerWaalsContact C-N 3.35Å; A51-Q53 PolarHBondContact O-N 3.23Å; Q53-L67 HydrophobicContact CG-CD1 4.22Å |
| 54 | L | 87.3 | Confident | 80 | Confident | 145 Ų | 145 | 73.5 Ų | 73.5 | 76% | 0.759 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -74.5 | -33.6 | 175.8 | -68.8 | 171.9 | 0 | 0 | 0 | 112.1 | R50 A51 C52 | R50-L54 WeakPolarHBondContact O-CG 3.22Å; R50-L54 PolarHBondContact O-N 3.29Å; A51-L54 PolarHBondContact O-N 3.42Å; A51-L54 VanDerWaalsContact O-N 3.16Å; C52-L54 VanDerWaalsContact C-N 3.31Å; C52-L54 PolarHBondContact O-N 3.31Å |
| 55 | T | 85.2 | Confident | 80.7 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -79.3 | -35.7 | 179.1 | -48.5 | 0 | 0 | 0 | 0 | 113.1 | A51 C52 P57 L115 | A51-T55 PolarHBondContact O-N 3.1Å; A51-T55 PolarHBondContact O-OG1 3.04Å; C52-T55 PolarHBondContact O-N 3.16Å; T55-P57 WeakPolarHBondContact O-CD 3.06Å; T55-L115 HydrophobicContact CG2-CD2 3.54Å |
| 56 | Y | 82.4 | Confident | 81 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 6% | 0.059 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -115.7 | 64.9 | 178 | -67.2 | -78.2 | 0 | 0 | 0 | 112 | C52 L58 Y61 E66 L67 C70 A112 L115 | C52-Y56 PolarHBondContact O-N 3.44Å; Y56-L58 PolarHBondContact O-N 3.29Å; Y56-Y61 HydrophobicContact CD1-CD2 4.03Å; Y56-Y61 HydrophobicContact CD1-CE2 4.4Å; Y56-Y61 HydrophobicContact CD1-CG 4.07Å; Y56-Y61 HydrophobicContact CE1-CD2 4.38Å; Y56-Y61 HydrophobicContact CE1-CE2 4.31Å; Y56-E66 HydrophobicContact CD1-CB 4.08Å; Y56-E66 HydrophobicContact CE1-CB 4.02Å; Y56-E66 WeakPolarHBondContact CE1-OE2 3.27Å; Y56-L67 WeakPolarHBondContact O-CD1 3.11Å; Y56-C70 HydrophobicContact CD2-CB 4.3Å; Y56-C70 HydrophobicContact CE2-CB 4.28Å; Y56-A112 HydrophobicContact CE2-CB 3.89Å; Y56-A112 WeakPolarHBondContact OH-CA 3.32Å; Y56-A112 WeakPolarHBondContact OH-CB 3.17Å; Y56-L115 HydrophobicContact CE2-CD2 3.71Å |
| 57 | P | 75.4 | Confident | 81.3 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 20% | 0.195 | 36% | 0.362 | C | S | . | . | trans | -74.4 | 134.5 | 179.7 | 33.6 | -36 | 0 | 0 | 0 | 109.9 | T55 H59 T60 Y61 | T55-P57 WeakPolarHBondContact O-CD 3.06Å; P57-H59 WeakPolarHBondContact CB-CE1 3.4Å; P57-H59 WeakPolarHBondContact CB-ND1 3.33Å; P57-H59 PolarHBondContact O-N 3.37Å; P57-T60 PolarHBondContact O-N 2.97Å; P57-Y61 PolarHBondContact O-N 3.39Å | ||
| 58 | L | 67.6 | Low | 81.4 | Confident | 101 Ų | 101 | 76.3 Ų | 76.3 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -23.6 | -177.5 | -101.4 | 72.6 | 0 | 0 | 0 | 114.6 | Y56 Y61 E64 | Y56-L58 PolarHBondContact O-N 3.29Å; L58-Y61 WeakPolarHBondContact CA-O 3.27Å; L58-E64 HydrophobicContact CD1-CG 4.33Å; L58-E64 HydrophobicContact CD2-CG 4.42Å; L58-E64 HydrophobicContact CG-CG 4.33Å |
| 59 | H | 66.4 | Low | 81.5 | Confident | 163 Ų | 163 | 76.4 Ų | 76.4 | 76% | 0.755 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -26.2 | 179.9 | 69.4 | -91.7 | 0 | 0 | 0 | 113.5 | P57 | P57-H59 WeakPolarHBondContact CB-CE1 3.4Å; P57-H59 WeakPolarHBondContact CB-ND1 3.33Å; P57-H59 PolarHBondContact O-N 3.37Å |
| 60 | T | 67.3 | Low | 81.6 | Confident | 95 Ų | 95 | 74.1 Ų | 74.1 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -28.7 | 178.9 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | P57 | P57-T60 PolarHBondContact O-N 2.97Š|
| 61 | Y | 68.8 | Low | 81.7 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | trans | -118.5 | 103.7 | -178.5 | -130.6 | -78.6 | 0 | 0 | 0 | 110.2 | Y56 P57 L58 K63 E66 | Y56-Y61 HydrophobicContact CD1-CD2 4.03Å; Y56-Y61 HydrophobicContact CD1-CE2 4.4Å; Y56-Y61 HydrophobicContact CD1-CG 4.07Å; Y56-Y61 HydrophobicContact CE1-CD2 4.38Å; Y56-Y61 HydrophobicContact CE1-CE2 4.31Å; P57-Y61 PolarHBondContact O-N 3.39Å; L58-Y61 WeakPolarHBondContact CA-O 3.27Å; Y61-K63 HydrophobicContact CD1-CB 4.06Å; Y61-K63 HydrophobicContact CE1-CB 4.17Å; Y61-K63 HydrophobicContact CE1-CD 4.26Å; Y61-K63 PolarHBondContact O-N 3.07Å; Y61-E66 HydrophobicContact CE1-CG 4.09Å; Y61-E66 WeakPolarHBondContact CE1-OE1 3.43Å; Y61-E66 WeakPolarHBondContact CE1-OE2 3.42Å; Y61-E66 PolarHBondContact OH-OE1 3.47Å; Y61-E66 PolarHBondContact OH-OE2 2.88Å | ||
| 62 | P | 62.7 | Low | 81.8 | Confident | 118 Ų | 118 | 74.6 Ų | 74.6 | 77% | 0.766 | 37% | 0.365 | S | S | * | . | trans | -73.7 | -8.8 | -175.8 | 29.3 | -34.5 | 0 | 0 | 0 | 113.4 | ||||
| 63 | K | 73.6 | Confident | 82 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | trans | -100.6 | 111 | -178.4 | -68.3 | 170.4 | 149.4 | -134.5 | 0 | 110.2 | Y61 E65 | Y61-K63 HydrophobicContact CD1-CB 4.06Å; Y61-K63 HydrophobicContact CE1-CB 4.17Å; Y61-K63 HydrophobicContact CE1-CD 4.26Å; Y61-K63 PolarHBondContact O-N 3.07Å; K63-E65 HydrophobicContact CB-CG 4.04Å; K63-E65 WeakPolarHBondContact CD-OE1 3.41Å; K63-E65 WeakPolarHBondContact CE-OE1 3.49Å; K63-E65 IonicContact NZ-OE1 3.62Å; K63-E65 PolarHBondContact NZ-OE1 3.37Å; K63-E65 PolarHBondContact O-N 3.14Å | ||
| 64 | E | 80.1 | Confident | 82.1 | Confident | 130 Ų | 130 | 69.7 Ų | 69.7 | 61% | 0.607 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -71.6 | -16.5 | 177.2 | -64.8 | 178.6 | 173.8 | 0 | 0 | 113 | L58 E66 L67 Y68 | L58-E64 HydrophobicContact CD1-CG 4.33Å; L58-E64 HydrophobicContact CD2-CG 4.42Å; L58-E64 HydrophobicContact CG-CG 4.33Å; E64-E66 VanDerWaalsContact C-N 3.33Å; E64-E66 PolarHBondContact O-N 2.82Å; E64-L67 PolarHBondContact O-N 2.77Å; E64-Y68 PolarHBondContact O-N 3.42Å; E64-Y68 VanDerWaalsContact O-N 3.12Å |
| 65 | E | 85.4 | Confident | 82.3 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | -177.6 | 66.7 | -153 | 174 | 0 | 0 | 112.7 | K63 Y68 A69 E109 | K63-E65 HydrophobicContact CB-CG 4.04Å; K63-E65 WeakPolarHBondContact CD-OE1 3.41Å; K63-E65 WeakPolarHBondContact CE-OE1 3.49Å; K63-E65 IonicContact NZ-OE1 3.62Å; K63-E65 PolarHBondContact NZ-OE1 3.37Å; K63-E65 PolarHBondContact O-N 3.14Å; E65-Y68 PolarHBondContact O-N 3.37Å; E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.12Å; E65-E109 HydrophobicContact CG-CG 4.32Å |
| 66 | E | 87.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.6 | -38.8 | 179 | -62 | -174.4 | -162.1 | 0 | 0 | 112.7 | Y56 Y61 E64 Y68 A69 C70 D108 A112 | Y56-E66 HydrophobicContact CD1-CB 4.08Å; Y56-E66 HydrophobicContact CE1-CB 4.02Å; Y56-E66 WeakPolarHBondContact CE1-OE2 3.27Å; Y61-E66 HydrophobicContact CE1-CG 4.09Å; Y61-E66 WeakPolarHBondContact CE1-OE1 3.43Å; Y61-E66 WeakPolarHBondContact CE1-OE2 3.42Å; Y61-E66 PolarHBondContact OH-OE1 3.47Å; Y61-E66 PolarHBondContact OH-OE2 2.88Å; E64-E66 VanDerWaalsContact C-N 3.33Å; E64-E66 PolarHBondContact O-N 2.82Å; E66-Y68 VanDerWaalsContact C-N 3.31Å; E66-Y68 PolarHBondContact O-N 3.33Å; E66-A69 PolarHBondContact O-N 3.46Å; E66-C70 PolarHBondContact O-N 3.02Å; E66-D108 HydrophobicContact CG-CB 4.44Å; E66-D108 WeakPolarHBondContact OE1-CB 3.26Å; E66-A112 HydrophobicContact CB-CB 4.01Å; E66-A112 VanDerWaalsContact O-CB 3.27Å; E66-A112 WeakPolarHBondContact O-CB 3.13Å |
| 67 | L | 89.8 | Confident | 83.1 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.3 | 178.5 | 131.5 | 0 | 0 | 0 | 110.8 | Q53 Y56 E64 C70 Q71 | Q53-L67 HydrophobicContact CG-CD1 4.22Å; Y56-L67 WeakPolarHBondContact O-CD1 3.11Å; E64-L67 PolarHBondContact O-N 2.77Å; L67-C70 PolarHBondContact O-N 3.09Å; L67-Q71 WeakPolarHBondContact O-CG 3.3Å; L67-Q71 PolarHBondContact O-N 2.04Å; L67-Q71 VanDerWaalsContact O-N 3.12Å |
| 68 | Y | 89.4 | Confident | 83.8 | Confident | 143 Ų | 143 | 64.6 Ų | 64.6 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.6 | -39.7 | 175.4 | -171.2 | -100.3 | 0 | 0 | 0 | 111.9 | E64 E65 E66 C70 Q71 R72 | E64-Y68 PolarHBondContact O-N 3.42Å; E64-Y68 VanDerWaalsContact O-N 3.12Å; E65-Y68 PolarHBondContact O-N 3.37Å; E66-Y68 VanDerWaalsContact C-N 3.31Å; E66-Y68 PolarHBondContact O-N 3.33Å; Y68-C70 VanDerWaalsContact C-N 3.34Å; Y68-C70 PolarHBondContact O-N 3.25Å; Y68-Q71 PolarHBondContact O-N 3.45Å; Y68-R72 WeakPolarHBondContact O-CB 3.44Å; Y68-R72 PolarHBondContact O-N 3.17Å |
| 69 | A | 92.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | E65 E66 R72 G73 Y104 E109 A112 | E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 3.12Å; E66-A69 PolarHBondContact O-N 3.46Å; A69-R72 PolarHBondContact O-N 3.36Å; A69-G73 PolarHBondContact O-N 3.46Å; A69-Y104 HydrophobicContact CB-CE1 4.15Å; A69-Y104 HydrophobicContact CB-CE2 4.3Å; A69-E109 HydrophobicContact CB-CB 4.23Å; A69-A112 HydrophobicContact CB-CB 4.16Å |
| 70 | C | 93.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 175.3 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | C52 Y56 E66 L67 Y68 R72 G73 C74 A112 G116 | C52-C70 HydrophobicContact CB-CB 3.77Å; C52-C70 WeakPolarHBondContact CB-SG 3.24Å; C52-C70 WeakPolarHBondContact SG-CB 3.37Å; C52-C70 CovalentContact SG-SG 2.05Å; C52-C70 PolarHBondContact SG-SG 2.91Å; Y56-C70 HydrophobicContact CD2-CB 4.3Å; Y56-C70 HydrophobicContact CE2-CB 4.28Å; E66-C70 PolarHBondContact O-N 3.02Å; L67-C70 PolarHBondContact O-N 3.09Å; Y68-C70 VanDerWaalsContact C-N 3.34Å; Y68-C70 PolarHBondContact O-N 3.25Å; C70-R72 VanDerWaalsContact C-N 3.27Å; C70-R72 PolarHBondContact O-N 3.33Å; C70-G73 WeakPolarHBondContact O-CA 3.1Å; C70-G73 PolarHBondContact O-N 3.42Å; C70-G73 VanDerWaalsContact O-N 3.09Å; C70-C74 PolarHBondContact O-N 2.94Å; C70-C74 PolarHBondContact O-SG 2.95Å; C70-A112 VanDerWaalsContact CA-O 3.26Å; C70-A112 WeakPolarHBondContact CA-O 3.42Å; C70-A112 HydrophobicContact CB-CB 4.39Å; C70-A112 WeakPolarHBondContact CB-O 3.07Å; C70-G116 WeakPolarHBondContact O-CA 3.46Å |
| 71 | Q | 91.8 | Very high | 86.8 | Confident | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.192 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -39.3 | 176.8 | -69.5 | 176 | 3.9 | 0 | 0 | 111.7 | H49 C52 L67 Y68 G73 C74 R75 | H49-Q71 PolarHBondContact NE2-O 2.9Å; C52-Q71 HydrophobicContact CB-CG 4.29Å; L67-Q71 WeakPolarHBondContact O-CG 3.3Å; L67-Q71 PolarHBondContact O-N 2.04Å; L67-Q71 VanDerWaalsContact O-N 3.12Å; Y68-Q71 PolarHBondContact O-N 3.45Å; Q71-G73 VanDerWaalsContact C-N 3.31Å; Q71-G73 PolarHBondContact O-N 3.42Å; Q71-C74 WeakPolarHBondContact O-CB 3.47Å; Q71-C74 PolarHBondContact O-N 3.25Å; Q71-R75 PolarHBondContact O-N 2.91Å |
| 72 | R | 91.6 | Very high | 87.5 | Confident | 145 Ų | 145 | 55.6 Ų | 55.6 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 175.3 | -155.9 | 179 | -170.5 | 175.6 | -1.9 | 112 | Y68 A69 C70 R75 L76 Y104 | Y68-R72 WeakPolarHBondContact O-CB 3.44Å; Y68-R72 PolarHBondContact O-N 3.17Å; A69-R72 PolarHBondContact O-N 3.36Å; C70-R72 VanDerWaalsContact C-N 3.27Å; C70-R72 PolarHBondContact O-N 3.33Å; R72-R75 PolarHBondContact O-N 3.3Å; R72-L76 WeakPolarHBondContact O-CB 3.19Å; R72-L76 PolarHBondContact O-N 2.97Å; R72-Y104 VanDerWaalsContact CD-OH 3.24Å; R72-Y104 WeakPolarHBondContact CD-OH 3.42Å |
| 73 | G | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | A69 C70 Q71 R75 L76 F77 | A69-G73 PolarHBondContact O-N 3.46Å; C70-G73 WeakPolarHBondContact O-CA 3.1Å; C70-G73 PolarHBondContact O-N 3.42Å; C70-G73 VanDerWaalsContact O-N 3.09Å; Q71-G73 VanDerWaalsContact C-N 3.31Å; Q71-G73 PolarHBondContact O-N 3.42Å; G73-R75 VanDerWaalsContact C-N 3.31Å; G73-R75 PolarHBondContact O-N 2.92Å; G73-L76 PolarHBondContact O-N 3.23Å; G73-F77 PolarHBondContact O-N 3.4Å |
| 74 | C | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56 | -46 | 174.8 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | C48 C70 Q71 S78 | C48-C74 HydrophobicContact CB-CB 3.7Å; C48-C74 WeakPolarHBondContact CB-SG 3.42Å; C48-C74 WeakPolarHBondContact SG-CB 3.35Å; C48-C74 CovalentContact SG-SG 2.04Å; C48-C74 PolarHBondContact SG-SG 2.96Å; C70-C74 PolarHBondContact O-N 2.94Å; C70-C74 PolarHBondContact O-SG 2.95Å; Q71-C74 WeakPolarHBondContact O-CB 3.47Å; Q71-C74 PolarHBondContact O-N 3.25Å; C74-S78 PolarHBondContact O-N 3.4Å |
| 75 | R | 92 | Very high | 88.6 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 178.6 | -174.3 | 177.2 | 177 | 173.5 | 2 | 112.5 | Q71 R72 G73 F77 S78 I79 | Q71-R75 PolarHBondContact O-N 2.91Å; R72-R75 PolarHBondContact O-N 3.3Å; G73-R75 VanDerWaalsContact C-N 3.31Å; G73-R75 PolarHBondContact O-N 2.92Å; R75-F77 VanDerWaalsContact C-N 3.34Å; R75-S78 WeakPolarHBondContact O-CB 3.5Å; R75-S78 PolarHBondContact O-N 3.15Å; R75-I79 HydrophobicContact CG-CD1 4.32Å; R75-I79 WeakPolarHBondContact O-CG1 3.09Å; R75-I79 PolarHBondContact O-N 3.28Å |
| 76 | L | 92.3 | Very high | 87.9 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 178.9 | -175.2 | 62.4 | 0 | 0 | 0 | 111.4 | R72 G73 S78 I79 C80 A99 | R72-L76 WeakPolarHBondContact O-CB 3.19Å; R72-L76 PolarHBondContact O-N 2.97Å; G73-L76 PolarHBondContact O-N 3.23Å; L76-S78 VanDerWaalsContact C-N 3.35Å; L76-S78 PolarHBondContact O-N 3.15Å; L76-I79 WeakPolarHBondContact O-CB 3.39Å; L76-I79 PolarHBondContact O-N 3.27Å; L76-I79 VanDerWaalsContact O-N 3.09Å; L76-C80 PolarHBondContact O-N 3.49Å; L76-C80 PolarHBondContact O-SG 3.36Å; L76-A99 HydrophobicContact CD2-CB 3.79Å |
| 77 | F | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 176.2 | -176.2 | -82.1 | 0 | 0 | 0 | 111.9 | G73 R75 I79 C80 Q81 L89 K93 C96 C117 Q120 L121 A124 | G73-F77 PolarHBondContact O-N 3.4Å; R75-F77 VanDerWaalsContact C-N 3.34Å; F77-I79 PolarHBondContact O-N 3.14Å; F77-C80 PolarHBondContact O-N 2.98Å; F77-Q81 HydrophobicContact CE1-CB 4.42Å; F77-Q81 WeakPolarHBondContact O-CB 3.12Å; F77-Q81 PolarHBondContact O-N 3.34Å; F77-L89 HydrophobicContact CE1-CD2 4.36Å; F77-L89 HydrophobicContact CZ-CD2 4.08Å; F77-K93 HydrophobicContact CE2-CB 4.02Å; F77-C96 HydrophobicContact CD2-CB 4.25Å; F77-C96 PolarHBondContact N-SG 2.98Å; F77-C117 HydrophobicContact CD2-CB 4.47Å; F77-Q120 HydrophobicContact CB-CB 3.97Å; F77-Q120 HydrophobicContact CB-CG 3.97Å; F77-Q120 HydrophobicContact CD1-CB 3.8Å; F77-Q120 HydrophobicContact CD1-CG 3.35Å; F77-Q120 HydrophobicContact CE1-CG 4.13Å; F77-Q120 HydrophobicContact CG-CB 3.86Å; F77-Q120 HydrophobicContact CG-CG 3.86Å; F77-L121 HydrophobicContact CE2-CD1 3.99Å; F77-L121 HydrophobicContact CZ-CB 4.47Å; F77-L121 HydrophobicContact CZ-CD1 3.79Å; F77-A124 HydrophobicContact CE1-CB 3.57Å; F77-A124 HydrophobicContact CZ-CB 4.23Å |
| 78 | S | 89.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -36.6 | 175.6 | -79.3 | 0 | 0 | 0 | 0 | 113.1 | L42 C74 R75 L76 F82 | L42-S78 WeakPolarHBondContact O-CB 3.48Å; L42-S78 PolarHBondContact O-OG 3.29Å; C74-S78 PolarHBondContact O-N 3.4Å; R75-S78 WeakPolarHBondContact O-CB 3.5Å; R75-S78 PolarHBondContact O-N 3.15Å; L76-S78 VanDerWaalsContact C-N 3.35Å; L76-S78 PolarHBondContact O-N 3.15Å; S78-F82 PolarHBondContact O-N 3.09Å; S78-F82 VanDerWaalsContact O-N 3.12Å |
| 79 | I | 88.6 | Confident | 87.2 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 176.7 | -63.5 | 163.8 | 0 | 0 | 0 | 110.3 | L42 R75 L76 F77 Q81 F82 V83 | L42-I79 HydrophobicContact CD1-CG1 3.97Å; L42-I79 HydrophobicContact CD2-CB 4.35Å; L42-I79 HydrophobicContact CD2-CG1 3.69Å; L42-I79 HydrophobicContact CG-CG1 4.49Å; R75-I79 HydrophobicContact CG-CD1 4.32Å; R75-I79 WeakPolarHBondContact O-CG1 3.09Å; R75-I79 PolarHBondContact O-N 3.28Å; L76-I79 WeakPolarHBondContact O-CB 3.39Å; L76-I79 PolarHBondContact O-N 3.27Å; L76-I79 VanDerWaalsContact O-N 3.09Å; F77-I79 PolarHBondContact O-N 3.14Å; I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 2.94Å; I79-F82 PolarHBondContact O-N 3.38Å; I79-V83 WeakPolarHBondContact O-CG2 3.07Å; I79-V83 PolarHBondContact O-N 3.11Å; I79-V83 VanDerWaalsContact O-N 3.14Å |
| 80 | C | 89 | Confident | 87.1 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.4 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | L76 F77 F82 V83 D84 | L76-C80 PolarHBondContact O-N 3.49Å; L76-C80 PolarHBondContact O-SG 3.36Å; F77-C80 PolarHBondContact O-N 2.98Å; C80-F82 VanDerWaalsContact C-N 3.31Å; C80-F82 PolarHBondContact O-N 3.35Å; C80-V83 PolarHBondContact O-N 2.86Å; C80-D84 PolarHBondContact O-N 3.09Å; C80-D84 VanDerWaalsContact O-N 3.08Å |
| 81 | Q | 87.7 | Confident | 87.1 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.5 | -173.9 | -179.3 | 10 | 0 | 0 | 112.5 | F77 I79 V83 G86 L89 | F77-Q81 HydrophobicContact CE1-CB 4.42Å; F77-Q81 WeakPolarHBondContact O-CB 3.12Å; F77-Q81 PolarHBondContact O-N 3.34Å; I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 2.94Å; Q81-V83 VanDerWaalsContact C-N 3.33Å; Q81-G86 PolarHBondContact O-N 3.09Å; Q81-G86 VanDerWaalsContact O-N 3.1Å; Q81-L89 HydrophobicContact CG-CD2 4.41Å |
| 82 | F | 83.9 | Confident | 87.1 | Confident | 130 Ų | 130 | 61.8 Ų | 61.8 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.1 | -32.1 | 178 | -179.9 | -98.1 | 0 | 0 | 0 | 112.8 | V41 L42 S78 I79 C80 | V41-F82 HydrophobicContact CG1-CD2 4.31Å; V41-F82 HydrophobicContact CG1-CE2 3.89Å; V41-F82 HydrophobicContact CG1-CZ 4.3Å; L42-F82 HydrophobicContact CD2-CB 4.37Å; S78-F82 PolarHBondContact O-N 3.09Å; S78-F82 VanDerWaalsContact O-N 3.12Å; I79-F82 PolarHBondContact O-N 3.38Å; C80-F82 VanDerWaalsContact C-N 3.31Å; C80-F82 PolarHBondContact O-N 3.35Å |
| 83 | V | 85.6 | Confident | 87.2 | Confident | 110 Ų | 110 | 56.7 Ų | 56.7 | 67% | 0.667 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.8 | -34.7 | -178.2 | 175 | 0 | 0 | 0 | 0 | 112.8 | I79 C80 Q81 D85 | I79-V83 WeakPolarHBondContact O-CG2 3.07Å; I79-V83 PolarHBondContact O-N 3.11Å; I79-V83 VanDerWaalsContact O-N 3.14Å; C80-V83 PolarHBondContact O-N 2.86Å; Q81-V83 VanDerWaalsContact C-N 3.33Å; V83-D85 VanDerWaalsContact C-N 3.32Å; V83-D85 PolarHBondContact O-N 3.13Å |
| 84 | D | 80.6 | Confident | 87.2 | Confident | 35 Ų | 35 | 62 Ų | 62 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 18.8 | -177.9 | -163.4 | 42 | 0 | 0 | 0 | 113 | C80 G86 R91 T92 | C80-D84 PolarHBondContact O-N 3.09Å; C80-D84 VanDerWaalsContact O-N 3.08Å; D84-G86 PolarHBondContact O-N 3.03Å; D84-R91 IonicContact OD1-NH1 3.43Å; D84-R91 IonicContact OD2-NH1 3.39Å; D84-T92 HydrophobicContact CB-CG2 3.74Å |
| 85 | D | 72.3 | Confident | 87.3 | Confident | 140 Ų | 140 | 65.1 Ų | 65.1 | 75% | 0.749 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 9.7 | -177 | -63.3 | -39 | 0 | 0 | 0 | 115.2 | V83 I87 | V83-D85 VanDerWaalsContact C-N 3.32Å; V83-D85 PolarHBondContact O-N 3.13Å; D85-I87 HydrophobicContact CB-CD1 4.34Å; D85-I87 HydrophobicContact CB-CG1 4.22Å; D85-I87 PolarHBondContact O-N 3.29Å |
| 86 | G | 71.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 19.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q81 D84 Q128 | Q81-G86 PolarHBondContact O-N 3.09Å; Q81-G86 VanDerWaalsContact O-N 3.1Å; D84-G86 PolarHBondContact O-N 3.03Å; G86-Q128 PolarHBondContact O-NE2 2.96Å; G86-Q128 VanDerWaalsContact O-NE2 3.11Å; G86-Q128 PolarHBondContact O-OE1 3.48Å; G86-Q128 VanDerWaalsContact O-OE1 3.11Å |
| 87 | I | 75.3 | Confident | 87.5 | Confident | 122 Ų | 122 | 59.8 Ų | 59.8 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71.7 | -48.2 | -177 | -57.2 | 175.1 | 0 | 0 | 0 | 110.5 | D85 | D85-I87 HydrophobicContact CB-CD1 4.34Å; D85-I87 HydrophobicContact CB-CG1 4.22Å; D85-I87 PolarHBondContact O-N 3.29Å |
| 88 | D | 86.3 | Confident | 87.6 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | trans | -114.2 | 90 | -177.1 | -73.7 | -32.8 | 0 | 0 | 0 | 111.5 | N90 R91 T92 | D88-N90 PolarHBondContact O-N 3.11Å; D88-R91 HydrophobicContact CB-CB 3.86Å; D88-R91 PolarHBondContact O-N 2.93Å; D88-T92 PolarHBondContact O-N 3.36Å; D88-T92 PolarHBondContact O-OG1 3.42Å | ||
| 89 | L | 88.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -30.4 | 179 | -72.5 | 169 | 0 | 0 | 0 | 113.8 | F77 Q81 T92 K93 L121 A124 E125 Q128 | F77-L89 HydrophobicContact CE1-CD2 4.36Å; F77-L89 HydrophobicContact CZ-CD2 4.08Å; Q81-L89 HydrophobicContact CG-CD2 4.41Å; L89-T92 VanDerWaalsContact CA-OG1 3.27Å; L89-T92 WeakPolarHBondContact CA-OG1 3.46Å; L89-T92 PolarHBondContact O-OG1 3.16Å; L89-K93 WeakPolarHBondContact O-CB 3.38Å; L89-K93 PolarHBondContact O-N 3.38Å; L89-L121 HydrophobicContact CB-CD1 3.76Å; L89-L121 WeakPolarHBondContact O-CD1 3.39Å; L89-A124 HydrophobicContact CD2-CB 3.69Å; L89-E125 HydrophobicContact CD1-CB 4.09Å; L89-E125 HydrophobicContact CD1-CG 3.35Å; L89-Q128 VanDerWaalsContact CD1-OE1 3.23Å |
| 90 | N | 92.1 | Very high | 88.2 | Confident | 117 Ų | 117 | 61 Ų | 61 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -69.8 | -32 | 173.9 | -78.6 | -33.9 | 0 | 0 | 0 | 113 | D88 L94 | D88-N90 PolarHBondContact O-N 3.11Å; N90-L94 PolarHBondContact O-N 3.4Å |
| 91 | R | 91.9 | Very high | 88.5 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.7 | -47.2 | 176.3 | -177.7 | 123.2 | 71 | 68.2 | 6.3 | 110.6 | D84 D88 K93 L94 E95 | D84-R91 IonicContact OD1-NH1 3.43Å; D84-R91 IonicContact OD2-NH1 3.39Å; D88-R91 HydrophobicContact CB-CB 3.86Å; D88-R91 PolarHBondContact O-N 2.93Å; R91-K93 PolarHBondContact O-N 3.4Å; R91-L94 WeakPolarHBondContact O-CB 3.36Å; R91-L94 PolarHBondContact O-N 3.43Å; R91-E95 HydrophobicContact CG-CG 4.4Å; R91-E95 WeakPolarHBondContact CG-OE1 3.12Å; R91-E95 IonicContact NH1-OE1 3.61Å; R91-E95 PolarHBondContact NH1-OE1 3.06Å; R91-E95 WeakPolarHBondContact O-CG 3.44Å; R91-E95 PolarHBondContact O-N 3.37Å |
| 92 | T | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.6 | -35.3 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | D84 D88 L89 E95 C96 | D84-T92 HydrophobicContact CB-CG2 3.74Å; D88-T92 PolarHBondContact O-N 3.36Å; D88-T92 PolarHBondContact O-OG1 3.42Å; L89-T92 VanDerWaalsContact CA-OG1 3.27Å; L89-T92 WeakPolarHBondContact CA-OG1 3.46Å; L89-T92 PolarHBondContact O-OG1 3.16Å; T92-E95 PolarHBondContact O-N 3.45Å; T92-C96 WeakPolarHBondContact O-CB 3.1Å; T92-C96 PolarHBondContact O-N 2.87Å |
| 93 | K | 93.6 | Very high | 89.2 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 17% | 0.17 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.7 | -51.3 | 170.2 | -178.9 | -175.1 | 165 | -175.5 | 0 | 112.6 | F77 L89 R91 E95 C96 E97 L121 | F77-K93 HydrophobicContact CE2-CB 4.02Å; L89-K93 WeakPolarHBondContact O-CB 3.38Å; L89-K93 PolarHBondContact O-N 3.38Å; R91-K93 PolarHBondContact O-N 3.4Å; K93-E95 VanDerWaalsContact C-N 3.27Å; K93-E95 PolarHBondContact O-N 2.04Å; K93-C96 WeakPolarHBondContact O-CB 3.48Å; K93-C96 PolarHBondContact O-N 3.27Å; K93-E97 WeakPolarHBondContact CE-OE1 3.44Å; K93-E97 IonicContact NZ-OE1 2.78Å; K93-E97 WeakPolarHBondContact O-CG 3.5Å; K93-E97 PolarHBondContact O-N 3.23Å; K93-L121 HydrophobicContact CB-CD1 4.37Å; K93-L121 HydrophobicContact CD-CD2 4.29Å |
| 94 | L | 93.6 | Very high | 89.5 | Confident | 110 Ų | 110 | 63.3 Ų | 63.3 | 58% | 0.576 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.6 | -38.4 | 179.9 | -79.5 | 160.9 | 0 | 0 | 0 | 111.6 | N90 R91 E97 S98 | N90-L94 PolarHBondContact O-N 3.4Å; R91-L94 WeakPolarHBondContact O-CB 3.36Å; R91-L94 PolarHBondContact O-N 3.43Å; L94-E97 PolarHBondContact O-N 3.12Å; L94-S98 WeakPolarHBondContact O-CB 3.36Å; L94-S98 PolarHBondContact O-N 3.45Å; L94-S98 PolarHBondContact O-OG 3.01Å |
| 95 | E | 93.8 | Very high | 89.9 | Confident | 67 Ų | 67 | 67.6 Ų | 67.6 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 175.4 | -70.3 | 176.4 | -170.4 | 0 | 0 | 111.1 | R91 T92 K93 S98 A99 | R91-E95 HydrophobicContact CG-CG 4.4Å; R91-E95 WeakPolarHBondContact CG-OE1 3.12Å; R91-E95 IonicContact NH1-OE1 3.61Å; R91-E95 PolarHBondContact NH1-OE1 3.06Å; R91-E95 WeakPolarHBondContact O-CG 3.44Å; R91-E95 PolarHBondContact O-N 3.37Å; T92-E95 PolarHBondContact O-N 3.45Å; K93-E95 VanDerWaalsContact C-N 3.27Å; K93-E95 PolarHBondContact O-N 2.04Å; E95-S98 WeakPolarHBondContact CA-OG 3.42Å; E95-S98 PolarHBondContact O-N 3.09Å; E95-S98 PolarHBondContact O-OG 3.42Å; E95-A99 WeakPolarHBondContact O-CB 3.42Å; E95-A99 PolarHBondContact O-N 2.96Å |
| 96 | C | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 112 | F77 T92 K93 S98 A99 C100 C117 | F77-C96 HydrophobicContact CD2-CB 4.25Å; F77-C96 PolarHBondContact N-SG 2.98Å; T92-C96 WeakPolarHBondContact O-CB 3.1Å; T92-C96 PolarHBondContact O-N 2.87Å; K93-C96 WeakPolarHBondContact O-CB 3.48Å; K93-C96 PolarHBondContact O-N 3.27Å; C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 2.05Å; C96-A99 PolarHBondContact O-N 3.3Å; C96-C100 PolarHBondContact O-N 3.23Å; C96-C100 PolarHBondContact O-SG 3.09Å; C96-C100 VanDerWaalsContact O-SG 3.38Å; C96-C117 VanDerWaalsContact C-SG 3.54Å; C96-C117 HydrophobicContact CB-CB 3.79Å; C96-C117 WeakPolarHBondContact CB-SG 2.83Å; C96-C117 WeakPolarHBondContact SG-CB 3.46Å; C96-C117 CovalentContact SG-SG 2.04Å; C96-C117 PolarHBondContact SG-SG 3.1Å |
| 97 | E | 95.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.6 | -72.8 | 179.5 | 175.3 | 0 | 0 | 111.4 | K93 L94 A99 C100 T101 H114 C117 | K93-E97 WeakPolarHBondContact CE-OE1 3.44Å; K93-E97 IonicContact NZ-OE1 2.78Å; K93-E97 WeakPolarHBondContact O-CG 3.5Å; K93-E97 PolarHBondContact O-N 3.23Å; L94-E97 PolarHBondContact O-N 3.12Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.42Å; E97-C100 WeakPolarHBondContact O-CB 3.38Å; E97-C100 PolarHBondContact O-N 3.06Å; E97-T101 WeakPolarHBondContact O-CG2 3.5Å; E97-T101 PolarHBondContact O-N 3.38Å; E97-H114 HydrophobicContact CG-CB 4.46Å; E97-H114 PolarHBondContact O-NE2 2.94Å; E97-C117 HydrophobicContact CG-CB 4.48Å |
| 98 | S | 94.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.9 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | L94 E95 C96 C100 T101 E102 | L94-S98 WeakPolarHBondContact O-CB 3.36Å; L94-S98 PolarHBondContact O-N 3.45Å; L94-S98 PolarHBondContact O-OG 3.01Å; E95-S98 WeakPolarHBondContact CA-OG 3.42Å; E95-S98 PolarHBondContact O-N 3.09Å; E95-S98 PolarHBondContact O-OG 3.42Å; C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 2.05Å; S98-C100 PolarHBondContact O-N 3.41Å; S98-T101 PolarHBondContact O-N 2.99Å; S98-T101 VanDerWaalsContact O-N 3.15Å; S98-T101 PolarHBondContact O-OG1 3.24Å; S98-E102 PolarHBondContact O-N 3.14Å; S98-E102 VanDerWaalsContact O-N 3.15Å |
| 99 | A | 95.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 63.4 Ų | 63.4 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.8 | -33.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L76 E95 C96 E97 T101 E102 A103 | L76-A99 HydrophobicContact CD2-CB 3.79Å; E95-A99 WeakPolarHBondContact O-CB 3.42Å; E95-A99 PolarHBondContact O-N 2.96Å; C96-A99 PolarHBondContact O-N 3.3Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.42Å; A99-T101 VanDerWaalsContact C-N 3.34Å; A99-E102 PolarHBondContact O-N 3.21Å; A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.46Å; A99-A103 PolarHBondContact O-N 2.04Å |
| 100 | C | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 169.7 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | C96 E97 S98 E102 A103 Y104 C113 H114 | C96-C100 PolarHBondContact O-N 3.23Å; C96-C100 PolarHBondContact O-SG 3.09Å; C96-C100 VanDerWaalsContact O-SG 3.38Å; E97-C100 WeakPolarHBondContact O-CB 3.38Å; E97-C100 PolarHBondContact O-N 3.06Å; S98-C100 PolarHBondContact O-N 3.41Å; C100-E102 VanDerWaalsContact C-N 3.26Å; C100-E102 PolarHBondContact O-N 2.92Å; C100-A103 PolarHBondContact O-N 2.93Å; C100-Y104 PolarHBondContact O-N 3.43Å; C100-Y104 VanDerWaalsContact O-N 3.16Å; C100-C113 HydrophobicContact CB-CB 3.65Å; C100-C113 WeakPolarHBondContact CB-SG 3.05Å; C100-C113 WeakPolarHBondContact SG-CB 3.5Å; C100-C113 CovalentContact SG-SG 2.04Å; C100-C113 PolarHBondContact SG-SG 2.64Å; C100-H114 WeakPolarHBondContact CB-CD2 3.18Å |
| 101 | T | 94.4 | Very high | 92.7 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -30 | 177 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | E97 S98 A99 Q110 H114 | E97-T101 WeakPolarHBondContact O-CG2 3.5Å; E97-T101 PolarHBondContact O-N 3.38Å; S98-T101 PolarHBondContact O-N 2.99Å; S98-T101 VanDerWaalsContact O-N 3.15Å; S98-T101 PolarHBondContact O-OG1 3.24Å; A99-T101 VanDerWaalsContact C-N 3.34Å; T101-Q110 VanDerWaalsContact CB-NE2 3.33Å; T101-H114 WeakPolarHBondContact CG2-NE2 3.06Å |
| 102 | E | 94.1 | Very high | 92.8 | Very high | 174 Ų | 174 | 61.2 Ų | 61.2 | 81% | 0.813 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -80.5 | -36.9 | 177.3 | -172.9 | 180 | 172.5 | 0 | 0 | 111.8 | S98 A99 C100 | S98-E102 PolarHBondContact O-N 3.14Å; S98-E102 VanDerWaalsContact O-N 3.15Å; A99-E102 PolarHBondContact O-N 3.21Å; C100-E102 VanDerWaalsContact C-N 3.26Å; C100-E102 PolarHBondContact O-N 2.92Å |
| 103 | A | 92.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 61.3 Ų | 61.3 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -76.2 | -32.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A99 C100 | A99-A103 VanDerWaalsContact O-CB 3.3Å; A99-A103 WeakPolarHBondContact O-CB 3.46Å; A99-A103 PolarHBondContact O-N 2.04Å; C100-A103 PolarHBondContact O-N 2.93Å |
| 104 | Y | 91.8 | Very high | 93 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | trans | -118 | 127.6 | -174.4 | -64.1 | -76.2 | 0 | 0 | 0 | 111.5 | A69 R72 C100 E109 C113 | A69-Y104 HydrophobicContact CB-CE1 4.15Å; A69-Y104 HydrophobicContact CB-CE2 4.3Å; R72-Y104 VanDerWaalsContact CD-OH 3.24Å; R72-Y104 WeakPolarHBondContact CD-OH 3.42Å; C100-Y104 PolarHBondContact O-N 3.43Å; C100-Y104 VanDerWaalsContact O-N 3.16Å; Y104-E109 HydrophobicContact CD1-CB 3.66Å; Y104-E109 HydrophobicContact CD1-CG 4.47Å; Y104-E109 VanDerWaalsContact CD1-OE2 3.3Å; Y104-E109 WeakPolarHBondContact CD1-OE2 3.38Å; Y104-E109 HydrophobicContact CE1-CB 4.22Å; Y104-E109 HydrophobicContact CG-CB 4.02Å; Y104-C113 HydrophobicContact CD2-CB 3.94Å; Y104-C113 HydrophobicContact CE2-CB 3.81Å | ||
| 105 | S | 89.1 | Confident | 93 | Very high | 125 Ų | 125 | 57.3 Ų | 57.3 | 87% | 0.874 | 32% | 0.317 | S | S | * | . | trans | -91.7 | -18.4 | 175.9 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 106 | Q | 91.1 | Very high | 93 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -87.2 | 136 | 175.7 | -62.9 | -170.4 | 19.3 | 0 | 0 | 110.7 | D108 E109 Q110 | Q106-D108 VanDerWaalsContact C-N 3.26Å; Q106-D108 PolarHBondContact O-N 3.43Å; Q106-E109 HydrophobicContact CB-CB 4.44Å; Q106-E109 HydrophobicContact CB-CG 4.29Å; Q106-Q110 VanDerWaalsContact O-CB 3.22Å; Q106-Q110 WeakPolarHBondContact O-CB 3.41Å; Q106-Q110 PolarHBondContact O-N 2.88Å |
| 107 | S | 88.3 | Confident | 92.9 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.4 | -35 | -179.5 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | Y111 | S107-Y111 WeakPolarHBondContact O-CB 3.15Å; S107-Y111 PolarHBondContact O-N 3.45Å |
| 108 | D | 89.1 | Confident | 92.8 | Very high | 67 Ų | 67 | 57 Ų | 57 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -78.4 | -43.8 | -170.4 | -49.1 | -18 | 0 | 0 | 0 | 110.6 | E66 Q106 Y111 A112 | E66-D108 HydrophobicContact CG-CB 4.44Å; E66-D108 WeakPolarHBondContact OE1-CB 3.26Å; Q106-D108 VanDerWaalsContact C-N 3.26Å; Q106-D108 PolarHBondContact O-N 3.43Å; D108-Y111 PolarHBondContact O-N 3.38Å; D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 3.22Å |
| 109 | E | 90.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 172.5 | -61.3 | -179.2 | 154.5 | 0 | 0 | 111.9 | E65 A69 Y104 Q106 A112 C113 | E65-E109 HydrophobicContact CG-CG 4.32Å; A69-E109 HydrophobicContact CB-CB 4.23Å; Y104-E109 HydrophobicContact CD1-CB 3.66Å; Y104-E109 HydrophobicContact CD1-CG 4.47Å; Y104-E109 VanDerWaalsContact CD1-OE2 3.3Å; Y104-E109 WeakPolarHBondContact CD1-OE2 3.38Å; Y104-E109 HydrophobicContact CE1-CB 4.22Å; Y104-E109 HydrophobicContact CG-CB 4.02Å; Q106-E109 HydrophobicContact CB-CB 4.44Å; Q106-E109 HydrophobicContact CB-CG 4.29Å; E109-A112 PolarHBondContact O-N 2.96Å; E109-C113 WeakPolarHBondContact O-CB 3.38Å; E109-C113 PolarHBondContact O-N 2.71Å |
| 110 | Q | 93.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 175.8 | -175.5 | -177.8 | 4.6 | 0 | 0 | 110.6 | T101 Q106 A112 C113 H114 | T101-Q110 VanDerWaalsContact CB-NE2 3.33Å; Q106-Q110 VanDerWaalsContact O-CB 3.22Å; Q106-Q110 WeakPolarHBondContact O-CB 3.41Å; Q106-Q110 PolarHBondContact O-N 2.88Å; Q110-A112 VanDerWaalsContact C-N 3.34Å; Q110-A112 PolarHBondContact O-N 3.44Å; Q110-C113 PolarHBondContact O-N 3.46Å; Q110-H114 PolarHBondContact O-CD2 3.28Å; Q110-H114 PolarHBondContact O-N 2.87Å |
| 111 | Y | 92.9 | Very high | 92.1 | Very high | 150 Ų | 150 | 55.8 Ų | 55.8 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 176.2 | -179.7 | -102.1 | 0 | 0 | 0 | 111.9 | S107 D108 C113 H114 L115 | S107-Y111 WeakPolarHBondContact O-CB 3.15Å; S107-Y111 PolarHBondContact O-N 3.45Å; D108-Y111 PolarHBondContact O-N 3.38Å; Y111-C113 VanDerWaalsContact C-N 3.32Å; Y111-C113 PolarHBondContact O-N 3.29Å; Y111-H114 PolarHBondContact O-N 3.3Å; Y111-L115 PolarHBondContact O-N 3.03Å |
| 112 | A | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y56 E66 A69 C70 D108 E109 Q110 L115 G116 | Y56-A112 HydrophobicContact CE2-CB 3.89Å; Y56-A112 WeakPolarHBondContact OH-CA 3.32Å; Y56-A112 WeakPolarHBondContact OH-CB 3.17Å; E66-A112 HydrophobicContact CB-CB 4.01Å; E66-A112 VanDerWaalsContact O-CB 3.27Å; E66-A112 WeakPolarHBondContact O-CB 3.13Å; A69-A112 HydrophobicContact CB-CB 4.16Å; C70-A112 VanDerWaalsContact CA-O 3.26Å; C70-A112 WeakPolarHBondContact CA-O 3.42Å; C70-A112 HydrophobicContact CB-CB 4.39Å; C70-A112 WeakPolarHBondContact CB-O 3.07Å; D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 3.22Å; E109-A112 PolarHBondContact O-N 2.96Å; Q110-A112 VanDerWaalsContact C-N 3.34Å; Q110-A112 PolarHBondContact O-N 3.44Å; A112-L115 WeakPolarHBondContact O-CB 3.34Å; A112-L115 PolarHBondContact O-N 2.97Å; A112-G116 PolarHBondContact O-N 2.74Å |
| 113 | C | 94.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 174.7 | -170.1 | 0 | 0 | 0 | 0 | 112 | C100 Y104 E109 Q110 Y111 L115 G116 C117 | C100-C113 HydrophobicContact CB-CB 3.65Å; C100-C113 WeakPolarHBondContact CB-SG 3.05Å; C100-C113 WeakPolarHBondContact SG-CB 3.5Å; C100-C113 CovalentContact SG-SG 2.04Å; C100-C113 PolarHBondContact SG-SG 2.64Å; Y104-C113 HydrophobicContact CD2-CB 3.94Å; Y104-C113 HydrophobicContact CE2-CB 3.81Å; E109-C113 WeakPolarHBondContact O-CB 3.38Å; E109-C113 PolarHBondContact O-N 2.71Å; Q110-C113 PolarHBondContact O-N 3.46Å; Y111-C113 VanDerWaalsContact C-N 3.32Å; Y111-C113 PolarHBondContact O-N 3.29Å; C113-L115 VanDerWaalsContact C-N 3.29Å; C113-L115 PolarHBondContact O-N 2.75Å; C113-G116 WeakPolarHBondContact O-CA 3.43Å; C113-G116 PolarHBondContact O-N 3.17Å; C113-G116 VanDerWaalsContact O-N 3.09Å; C113-C117 PolarHBondContact O-N 3.08Å |
| 114 | H | 95.1 | Very high | 90.9 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 176.6 | -74.5 | -143.5 | 0 | 0 | 0 | 111.5 | E97 C100 T101 Q110 Y111 G116 C117 Q118 | E97-H114 HydrophobicContact CG-CB 4.46Å; E97-H114 PolarHBondContact O-NE2 2.94Å; C100-H114 WeakPolarHBondContact CB-CD2 3.18Å; T101-H114 WeakPolarHBondContact CG2-NE2 3.06Å; Q110-H114 PolarHBondContact O-CD2 3.28Å; Q110-H114 PolarHBondContact O-N 2.87Å; Y111-H114 PolarHBondContact O-N 3.3Å; H114-G116 VanDerWaalsContact C-N 3.29Å; H114-G116 PolarHBondContact O-N 3.04Å; H114-C117 WeakPolarHBondContact O-CB 3.47Å; H114-C117 PolarHBondContact O-N 3.22Å; H114-Q118 WeakPolarHBondContact O-CB 2.94Å; H114-Q118 PolarHBondContact O-N 3.45Å |
| 115 | L | 93.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 174.9 | -171.6 | 78.1 | 0 | 0 | 0 | 111.4 | T55 Y56 Y111 A112 C113 Q118 N119 | T55-L115 HydrophobicContact CG2-CD2 3.54Å; Y56-L115 HydrophobicContact CE2-CD2 3.71Å; Y111-L115 PolarHBondContact O-N 3.03Å; A112-L115 WeakPolarHBondContact O-CB 3.34Å; A112-L115 PolarHBondContact O-N 2.97Å; C113-L115 VanDerWaalsContact C-N 3.29Å; C113-L115 PolarHBondContact O-N 2.75Å; L115-Q118 PolarHBondContact O-N 2.82Å; L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 VanDerWaalsContact O-CG 3.28Å; L115-N119 PolarHBondContact O-N 2.83Å; L115-N119 PolarHBondContact O-ND2 3.22Å |
| 116 | G | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.8 | -48.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | C48 C70 A112 C113 H114 Q118 N119 Q120 | C48-G116 PolarHBondContact SG-O 3.41Å; C48-G116 VanDerWaalsContact SG-O 3.42Å; C70-G116 WeakPolarHBondContact O-CA 3.46Å; A112-G116 PolarHBondContact O-N 2.74Å; C113-G116 WeakPolarHBondContact O-CA 3.43Å; C113-G116 PolarHBondContact O-N 3.17Å; C113-G116 VanDerWaalsContact O-N 3.09Å; H114-G116 VanDerWaalsContact C-N 3.29Å; H114-G116 PolarHBondContact O-N 3.04Å; G116-Q118 VanDerWaalsContact C-N 3.31Å; G116-Q118 PolarHBondContact O-N 3.2Å; G116-N119 PolarHBondContact O-N 2.87Å; G116-Q120 PolarHBondContact O-N 3.19Å; G116-Q120 VanDerWaalsContact O-N 3.16Å |
| 117 | C | 94.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | F77 C96 E97 C113 H114 | F77-C117 HydrophobicContact CD2-CB 4.47Å; C96-C117 VanDerWaalsContact C-SG 3.54Å; C96-C117 HydrophobicContact CB-CB 3.79Å; C96-C117 WeakPolarHBondContact CB-SG 2.83Å; C96-C117 WeakPolarHBondContact SG-CB 3.46Å; C96-C117 CovalentContact SG-SG 2.04Å; C96-C117 PolarHBondContact SG-SG 3.1Å; E97-C117 HydrophobicContact CG-CB 4.48Å; C113-C117 PolarHBondContact O-N 3.08Å; H114-C117 WeakPolarHBondContact O-CB 3.47Å; H114-C117 PolarHBondContact O-N 3.22Å |
| 118 | Q | 93.6 | Very high | 89.5 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.1 | -37.2 | -178.5 | -174 | 163.5 | 22.4 | 0 | 0 | 112.9 | H114 L115 G116 Q120 L121 P122 | H114-Q118 WeakPolarHBondContact O-CB 2.94Å; H114-Q118 PolarHBondContact O-N 3.45Å; L115-Q118 PolarHBondContact O-N 2.82Å; G116-Q118 VanDerWaalsContact C-N 3.31Å; G116-Q118 PolarHBondContact O-N 3.2Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-L121 WeakPolarHBondContact O-CB 3.46Å; Q118-P122 WeakPolarHBondContact O-CD 3.4Å |
| 119 | N | 90.9 | Very high | 89.2 | Confident | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.8 | -27.8 | 179.1 | -76.4 | -21.9 | 0 | 0 | 0 | 112.6 | L115 G116 P122 F123 | L115-N119 WeakPolarHBondContact O-CB 3.41Å; L115-N119 VanDerWaalsContact O-CG 3.28Å; L115-N119 PolarHBondContact O-N 2.83Å; L115-N119 PolarHBondContact O-ND2 3.22Å; G116-N119 PolarHBondContact O-N 2.87Å; N119-P122 WeakPolarHBondContact O-CD 3.42Å; N119-F123 WeakPolarHBondContact O-CD2 3.42Å; N119-F123 WeakPolarHBondContact O-CE2 3.43Å |
| 120 | Q | 89.4 | Confident | 88.8 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.1 | -28 | 178.1 | -169.7 | 65.8 | 19.3 | 0 | 0 | 112.6 | F77 G116 Q118 F123 A124 | F77-Q120 HydrophobicContact CB-CB 3.97Å; F77-Q120 HydrophobicContact CB-CG 3.97Å; F77-Q120 HydrophobicContact CD1-CB 3.8Å; F77-Q120 HydrophobicContact CD1-CG 3.35Å; F77-Q120 HydrophobicContact CE1-CG 4.13Å; F77-Q120 HydrophobicContact CG-CB 3.86Å; F77-Q120 HydrophobicContact CG-CG 3.86Å; G116-Q120 PolarHBondContact O-N 3.19Å; G116-Q120 VanDerWaalsContact O-N 3.16Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q120-F123 PolarHBondContact O-N 2.94Å; Q120-A124 PolarHBondContact O-N 2.97Å |
| 121 | L | 89.6 | Confident | 87.9 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -50.1 | -56 | -178.2 | -173 | 76.6 | 0 | 0 | 0 | 114.6 | F77 L89 K93 Q118 F123 A124 E125 | F77-L121 HydrophobicContact CE2-CD1 3.99Å; F77-L121 HydrophobicContact CZ-CB 4.47Å; F77-L121 HydrophobicContact CZ-CD1 3.79Å; L89-L121 HydrophobicContact CB-CD1 3.76Å; L89-L121 WeakPolarHBondContact O-CD1 3.39Å; K93-L121 HydrophobicContact CB-CD1 4.37Å; K93-L121 HydrophobicContact CD-CD2 4.29Å; Q118-L121 WeakPolarHBondContact O-CB 3.46Å; L121-F123 PolarHBondContact O-N 3.42Å; L121-A124 WeakPolarHBondContact O-CB 3.42Å; L121-A124 PolarHBondContact O-N 3.21Å; L121-A124 VanDerWaalsContact O-N 3.08Å; L121-E125 PolarHBondContact O-N 3.06Å |
| 122 | P | 87.1 | Confident | 87 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -28 | -178 | 25.8 | -36.6 | 0 | 0 | 0 | 113.3 | Q118 N119 L126 | Q118-P122 WeakPolarHBondContact O-CD 3.4Å; N119-P122 WeakPolarHBondContact O-CD 3.42Å; P122-L126 PolarHBondContact O-N 3.29Å |
| 123 | F | 84.1 | Confident | 86.1 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.8 | -34.5 | 175.4 | -59.6 | -65.5 | 0 | 0 | 0 | 111.6 | S47 N119 Q120 L121 R127 | S47-F123 WeakPolarHBondContact OG-CE1 3.08Å; S47-F123 WeakPolarHBondContact OG-CZ 3.39Å; N119-F123 WeakPolarHBondContact O-CD2 3.42Å; N119-F123 WeakPolarHBondContact O-CE2 3.43Å; Q120-F123 PolarHBondContact O-N 2.94Å; L121-F123 PolarHBondContact O-N 3.42Å; F123-R127 WeakPolarHBondContact O-CB 3.39Å; F123-R127 PolarHBondContact O-N 3.39Å; F123-R127 VanDerWaalsContact O-N 3.09Å |
| 124 | A | 84.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F77 L89 Q120 L121 R127 Q128 | F77-A124 HydrophobicContact CE1-CB 3.57Å; F77-A124 HydrophobicContact CZ-CB 4.23Å; L89-A124 HydrophobicContact CD2-CB 3.69Å; Q120-A124 PolarHBondContact O-N 2.97Å; L121-A124 WeakPolarHBondContact O-CB 3.42Å; L121-A124 PolarHBondContact O-N 3.21Å; L121-A124 VanDerWaalsContact O-N 3.08Å; A124-R127 PolarHBondContact O-N 3.06Å; A124-Q128 WeakPolarHBondContact O-CB 3.27Å; A124-Q128 PolarHBondContact O-N 3.35Å |
| 125 | E | 86.8 | Confident | 83.2 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.5 | -53.4 | 173.1 | -71.8 | 178.9 | 171.7 | 0 | 0 | 111.3 | L89 L121 R127 Q128 E129 | L89-E125 HydrophobicContact CD1-CB 4.09Å; L89-E125 HydrophobicContact CD1-CG 3.35Å; L121-E125 PolarHBondContact O-N 3.06Å; E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 PolarHBondContact O-N 3.39Å; E125-Q128 WeakPolarHBondContact O-CB 3.37Å; E125-Q128 PolarHBondContact O-N 3.35Å; E125-Q128 VanDerWaalsContact O-N 3.1Å; E125-E129 WeakPolarHBondContact O-CG 3.49Å; E125-E129 PolarHBondContact O-N 3.27Å |
| 126 | L | 84.9 | Confident | 81.4 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 179.9 | -173.3 | 72.7 | 0 | 0 | 0 | 112 | P122 Q128 E129 Q130 | P122-L126 PolarHBondContact O-N 3.29Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; L126-E129 PolarHBondContact O-N 3.47Å; L126-Q130 VanDerWaalsContact O-CG 3.32Å; L126-Q130 WeakPolarHBondContact O-CG 3.25Å; L126-Q130 PolarHBondContact O-N 2.77Å |
| 127 | R | 79.5 | Confident | 79.5 | Confident | 117 Ų | 117 | 83 Ų | 83 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 177 | -177.7 | -177.9 | 175.8 | 114.2 | -5.2 | 111.4 | F123 A124 E125 Q130 L131 | F123-R127 WeakPolarHBondContact O-CB 3.39Å; F123-R127 PolarHBondContact O-N 3.39Å; F123-R127 VanDerWaalsContact O-N 3.09Å; A124-R127 PolarHBondContact O-N 3.06Å; E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 PolarHBondContact O-N 3.39Å; R127-Q130 PolarHBondContact O-N 2.93Å; R127-L131 WeakPolarHBondContact O-CB 3.12Å; R127-L131 PolarHBondContact O-N 3.25Å |
| 128 | Q | 79.9 | Confident | 77.6 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 24% | 0.238 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.9 | -172 | 173.3 | -11.5 | 0 | 0 | 111.1 | G86 L89 A124 E125 L126 Q130 L131 M132 | G86-Q128 PolarHBondContact O-NE2 2.96Å; G86-Q128 VanDerWaalsContact O-NE2 3.11Å; G86-Q128 PolarHBondContact O-OE1 3.48Å; G86-Q128 VanDerWaalsContact O-OE1 3.11Å; L89-Q128 VanDerWaalsContact CD1-OE1 3.23Å; A124-Q128 WeakPolarHBondContact O-CB 3.27Å; A124-Q128 PolarHBondContact O-N 3.35Å; E125-Q128 WeakPolarHBondContact O-CB 3.37Å; E125-Q128 PolarHBondContact O-N 3.35Å; E125-Q128 VanDerWaalsContact O-N 3.1Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-Q130 VanDerWaalsContact C-N 3.35Å; Q128-Q130 PolarHBondContact O-N 3.32Å; Q128-L131 PolarHBondContact O-N 2.95Å; Q128-M132 HydrophobicContact CG-CE 4.11Å; Q128-M132 WeakPolarHBondContact O-CB 3.45Å; Q128-M132 VanDerWaalsContact O-CG 3.27Å; Q128-M132 WeakPolarHBondContact O-CG 3.32Å; Q128-M132 PolarHBondContact O-N 3.1Å |
| 129 | E | 82.8 | Confident | 75.8 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.7 | -44.6 | 173 | -69.9 | -176.5 | 152.2 | 0 | 0 | 112.1 | E125 L126 M132 S133 | E125-E129 WeakPolarHBondContact O-CG 3.49Å; E125-E129 PolarHBondContact O-N 3.27Å; L126-E129 PolarHBondContact O-N 3.47Å; E129-M132 HydrophobicContact CG-CE 4.23Å; E129-M132 PolarHBondContact O-N 3.39Å; E129-S133 WeakPolarHBondContact O-CB 3.46Å; E129-S133 PolarHBondContact O-N 3.23Å |
| 130 | Q | 81 | Confident | 74.3 | Confident | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 174.4 | -74.3 | 177.9 | -9.4 | 0 | 0 | 111.2 | L126 R127 Q128 M132 S133 L134 | L126-Q130 VanDerWaalsContact O-CG 3.32Å; L126-Q130 WeakPolarHBondContact O-CG 3.25Å; L126-Q130 PolarHBondContact O-N 2.77Å; R127-Q130 PolarHBondContact O-N 2.93Å; Q128-Q130 VanDerWaalsContact C-N 3.35Å; Q128-Q130 PolarHBondContact O-N 3.32Å; Q130-M132 VanDerWaalsContact C-N 3.35Å; Q130-M132 PolarHBondContact O-N 3.37Å; Q130-S133 PolarHBondContact O-N 3.09Å; Q130-S133 VanDerWaalsContact O-N 3.08Å; Q130-S133 PolarHBondContact O-OG 3Å; Q130-L134 WeakPolarHBondContact O-CD1 3.27Å; Q130-L134 PolarHBondContact O-N 3.08Å |
| 131 | L | 75.4 | Confident | 72.9 | Confident | 123 Ų | 123 | 101.8 Ų | 101.8 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 178.3 | -159.7 | 96.6 | 0 | 0 | 0 | 111.7 | R127 Q128 S133 L134 M135 | R127-L131 WeakPolarHBondContact O-CB 3.12Å; R127-L131 PolarHBondContact O-N 3.25Å; Q128-L131 PolarHBondContact O-N 2.95Å; L131-S133 PolarHBondContact O-N 2.94Å; L131-L134 PolarHBondContact O-N 3.25Å; L131-M135 PolarHBondContact O-N 2.64Å |
| 132 | M | 73.6 | Confident | 71.7 | Confident | 105 Ų | 105 | 107.2 Ų | 107.2 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -29.5 | 175.6 | -73.1 | -171.6 | -66.1 | 0 | 0 | 112.8 | Q128 E129 Q130 | Q128-M132 HydrophobicContact CG-CE 4.11Å; Q128-M132 WeakPolarHBondContact O-CB 3.45Å; Q128-M132 VanDerWaalsContact O-CG 3.27Å; Q128-M132 WeakPolarHBondContact O-CG 3.32Å; Q128-M132 PolarHBondContact O-N 3.1Å; E129-M132 HydrophobicContact CG-CE 4.23Å; E129-M132 PolarHBondContact O-N 3.39Å; Q130-M132 VanDerWaalsContact C-N 3.35Å; Q130-M132 PolarHBondContact O-N 3.37Å |
| 133 | S | 73.3 | Confident | 70.7 | Confident | 88 Ų | 88 | 107.2 Ų | 107.2 | 62% | 0.615 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78 | -30 | 175.1 | 78 | 0 | 0 | 0 | 0 | 113 | E129 Q130 L131 | E129-S133 WeakPolarHBondContact O-CB 3.46Å; E129-S133 PolarHBondContact O-N 3.23Å; Q130-S133 PolarHBondContact O-N 3.09Å; Q130-S133 VanDerWaalsContact O-N 3.08Å; Q130-S133 PolarHBondContact O-OG 3Å; L131-S133 PolarHBondContact O-N 2.94Å |
| 134 | L | 69.9 | Low | 69.7 | Low | 137 Ų | 137 | 108.7 Ų | 108.7 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -84.3 | -18.8 | 177 | -89.5 | 80.1 | 0 | 0 | 0 | 113 | Q130 L131 P136 | Q130-L134 WeakPolarHBondContact O-CD1 3.27Å; Q130-L134 PolarHBondContact O-N 3.08Å; L131-L134 PolarHBondContact O-N 3.25Å; L134-P136 VanDerWaalsContact O-CD 3.25Å; L134-P136 WeakPolarHBondContact O-CD 3.46Å; L134-P136 VanDerWaalsContact O-N 3.1Å |
| 135 | M | 60 | Low | 68.9 | Low | 110 Ų | 110 | 112.3 Ų | 112.3 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -59.3 | 115.9 | 177.1 | -170.6 | -178.3 | -150.9 | 0 | 0 | 109.4 | L131 K137 | L131-M135 PolarHBondContact O-N 2.64Å; M135-K137 PolarHBondContact O-N 3.11Å |
| 136 | P | 55.1 | Low | 68.1 | Low | 108 Ų | 108 | 112 Ų | 112 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | trans | -67.4 | 103.3 | 176.5 | 27.3 | -30.5 | 0 | 0 | 0 | 107 | L134 M138 | L134-P136 VanDerWaalsContact O-CD 3.25Å; L134-P136 WeakPolarHBondContact O-CD 3.46Å; L134-P136 VanDerWaalsContact O-N 3.1Å; P136-M138 VanDerWaalsContact C-N 3.32Å; P136-M138 PolarHBondContact O-N 3.11Å | ||
| 137 | K | 53.1 | Low | 67.6 | Low | 177 Ų | 177 | 112 Ų | 112 | 77% | 0.77 | 57% | 0.573 | S | S | * | * | trans | -60.6 | 100.7 | 168.9 | -70.7 | -171.3 | 173.9 | 72.9 | 0 | 106.7 | M135 H139 | M135-K137 PolarHBondContact O-N 3.11Å; K137-H139 PolarHBondContact O-N 3.35Å | ||
| 138 | M | 54.6 | Low | 67.4 | Low | 154 Ų | 154 | 115.8 Ų | 115.8 | 76% | 0.759 | 59% | 0.587 | S | S | * | * | trans | -57.3 | 106.9 | 177.5 | -30.7 | -169 | -67.5 | 0 | 0 | 107 | P136 L140 | P136-M138 VanDerWaalsContact C-N 3.32Å; P136-M138 PolarHBondContact O-N 3.11Å; M138-L140 PolarHBondContact O-N 2.9Å | ||
| 139 | H | 56.6 | Low | 67 | Low | 138 Ų | 138 | 115.7 Ų | 115.7 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | trans | -65.2 | 132.7 | 178.7 | -138.6 | -82.1 | 0 | 0 | 0 | 107.2 | K137 L141 F142 | K137-H139 PolarHBondContact O-N 3.35Å; H139-L141 PolarHBondContact O-N 3.25Å; H139-F142 PolarHBondContact O-N 3.5Å | ||
| 140 | L | 58.8 | Low | 66.6 | Low | 158 Ų | 158 | 117.2 Ų | 117.2 | 83% | 0.827 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -8.1 | 177.7 | -165 | 74.5 | 0 | 0 | 0 | 114 | M138 P143 | M138-L140 PolarHBondContact O-N 2.9Å; L140-P143 WeakPolarHBondContact O-CD 3.49Å |
| 141 | L | 60 | Low | 66.2 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 48% | 0.482 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.1 | -10.5 | -179.3 | -54.2 | 178.1 | 0 | 0 | 0 | 113.7 | H139 P143 L144 T145 | H139-L141 PolarHBondContact O-N 3.25Å; L141-P143 VanDerWaalsContact C-CD 3.47Å; L141-L144 HydrophobicContact CD2-CD1 3.71Å; L141-L144 CarbonylContact O-C 3.2Å; L141-L144 WeakPolarHBondContact O-CA 3.48Å; L141-L144 WeakPolarHBondContact O-CB 3.09Å; L141-L144 PolarHBondContact O-N 3.06Å; L141-T145 PolarHBondContact O-N 2.95Å; L141-T145 PolarHBondContact O-OG1 2.92Å |
| 142 | F | 63.8 | Low | 66.1 | Low | 136 Ų | 136 | 116.4 Ų | 116.4 | 60% | 0.596 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.3 | -37.9 | 177 | -168.4 | -100 | 0 | 0 | 0 | 113.8 | H139 L144 T145 L146 | H139-F142 PolarHBondContact O-N 3.5Å; F142-L144 VanDerWaalsContact C-N 3.3Å; F142-L144 PolarHBondContact O-N 3.43Å; F142-T145 WeakPolarHBondContact CA-OG1 3.42Å; F142-T145 PolarHBondContact O-N 2.86Å; F142-T145 PolarHBondContact O-OG1 3.24Å; F142-L146 HydrophobicContact CD1-CD1 4.18Å; F142-L146 HydrophobicContact CE1-CD1 3.92Å; F142-L146 HydrophobicContact CE1-CG 4.47Å; F142-L146 PolarHBondContact O-N 3.26Å |
| 143 | P | 65.8 | Low | 66.1 | Low | 68 Ų | 68 | 116 Ų | 116 | 44% | 0.442 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64 | -36 | 170.4 | -19.2 | 31.9 | 0 | 0 | 0 | 112.3 | L140 L141 T145 L146 V147 | L140-P143 WeakPolarHBondContact O-CD 3.49Å; L141-P143 VanDerWaalsContact C-CD 3.47Å; P143-T145 VanDerWaalsContact C-N 3.34Å; P143-L146 PolarHBondContact O-N 3.38Å; P143-V147 WeakPolarHBondContact O-CG2 3.41Å; P143-V147 PolarHBondContact O-N 2.95Å |
| 144 | L | 64.9 | Low | 66.2 | Low | 107 Ų | 107 | 117.2 Ų | 117.2 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.9 | -31 | 179.2 | -61.7 | 177.9 | 0 | 0 | 0 | 111.9 | L141 F142 R148 | L141-L144 HydrophobicContact CD2-CD1 3.71Å; L141-L144 CarbonylContact O-C 3.2Å; L141-L144 WeakPolarHBondContact O-CA 3.48Å; L141-L144 WeakPolarHBondContact O-CB 3.09Å; L141-L144 PolarHBondContact O-N 3.06Å; F142-L144 VanDerWaalsContact C-N 3.3Å; F142-L144 PolarHBondContact O-N 3.43Å; L144-R148 VanDerWaalsContact O-CB 3.27Å; L144-R148 WeakPolarHBondContact O-CB 3.28Å; L144-R148 PolarHBondContact O-N 3.18Å |
| 145 | T | 67.8 | Low | 66.4 | Low | 78 Ų | 78 | 114.4 Ų | 114.4 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.2 | -34.8 | 174.1 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | L141 F142 P143 R148 S149 | L141-T145 PolarHBondContact O-N 2.95Å; L141-T145 PolarHBondContact O-OG1 2.92Å; F142-T145 WeakPolarHBondContact CA-OG1 3.42Å; F142-T145 PolarHBondContact O-N 2.86Å; F142-T145 PolarHBondContact O-OG1 3.24Å; P143-T145 VanDerWaalsContact C-N 3.34Å; T145-R148 PolarHBondContact O-N 3.19Å; T145-S149 PolarHBondContact O-N 2.67Å; T145-S149 VanDerWaalsContact O-N 3.14Å |
| 146 | L | 69.1 | Low | 66.8 | Low | 82 Ų | 82 | 113.7 Ų | 113.7 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.4 | -45.5 | 173.5 | -69.9 | 168.8 | 0 | 0 | 0 | 111.5 | F142 P143 R148 S149 F150 | F142-L146 HydrophobicContact CD1-CD1 4.18Å; F142-L146 HydrophobicContact CE1-CD1 3.92Å; F142-L146 HydrophobicContact CE1-CG 4.47Å; F142-L146 PolarHBondContact O-N 3.26Å; P143-L146 PolarHBondContact O-N 3.38Å; L146-R148 PolarHBondContact O-N 3.43Å; L146-S149 PolarHBondContact O-N 3.26Å; L146-S149 PolarHBondContact O-OG 3.43Å; L146-F150 VanDerWaalsContact O-CD2 3.26Å; L146-F150 WeakPolarHBondContact O-CD2 3.37Å; L146-F150 PolarHBondContact O-N 2.96Å; L146-F150 VanDerWaalsContact O-N 3.11Å |
| 147 | V | 75.7 | Confident | 67.4 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.2 | -36 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | P143 W151 | P143-V147 WeakPolarHBondContact O-CG2 3.41Å; P143-V147 PolarHBondContact O-N 2.95Å; V147-W151 WeakPolarHBondContact O-CB 3.29Å; V147-W151 PolarHBondContact O-N 3.37Å |
| 148 | R | 74 | Confident | 67.8 | Low | 196 Ų | 196 | 105 Ų | 105 | 74% | 0.74 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.1 | -39.2 | 177.2 | -171.1 | 178.3 | 176.9 | 90.3 | 1.7 | 112.6 | L144 T145 L146 W151 S152 | L144-R148 VanDerWaalsContact O-CB 3.27Å; L144-R148 WeakPolarHBondContact O-CB 3.28Å; L144-R148 PolarHBondContact O-N 3.18Å; T145-R148 PolarHBondContact O-N 3.19Å; L146-R148 PolarHBondContact O-N 3.43Å; R148-W151 PolarHBondContact O-N 2.94Å; R148-S152 PolarHBondContact O-N 3.37Å; R148-S152 PolarHBondContact O-OG 2.84Å |
| 149 | S | 71.6 | Confident | 68.1 | Low | 50 Ų | 50 | 102.7 Ų | 102.7 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 177.2 | 63 | 0 | 0 | 0 | 0 | 112.1 | T145 L146 W151 S152 D153 | T145-S149 PolarHBondContact O-N 2.67Å; T145-S149 VanDerWaalsContact O-N 3.14Å; L146-S149 PolarHBondContact O-N 3.26Å; L146-S149 PolarHBondContact O-OG 3.43Å; S149-W151 VanDerWaalsContact C-N 3.29Å; S149-W151 PolarHBondContact O-N 2.87Å; S149-S152 WeakPolarHBondContact CA-OG 3.35Å; S149-S152 PolarHBondContact O-N 3.08Å; S149-S152 PolarHBondContact O-OG 2.94Å; S149-D153 VanDerWaalsContact O-CG 3.22Å; S149-D153 PolarHBondContact O-N 2.78Å; S149-D153 VanDerWaalsContact O-N 3.08Å |
| 150 | F | 75.3 | Confident | 68.2 | Low | 151 Ų | 151 | 99.2 Ų | 99.2 | 66% | 0.662 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -37.2 | 174.3 | -82.7 | -73.5 | 0 | 0 | 0 | 112.3 | L146 M154 | L146-F150 VanDerWaalsContact O-CD2 3.26Å; L146-F150 WeakPolarHBondContact O-CD2 3.37Å; L146-F150 PolarHBondContact O-N 2.96Å; L146-F150 VanDerWaalsContact O-N 3.11Å; F150-M154 WeakPolarHBondContact O-CB 3.33Å; F150-M154 PolarHBondContact O-N 3.48Å |
| 151 | W | 72.6 | Confident | 68.1 | Low | 165 Ų | 165 | 99.3 Ų | 99.3 | 63% | 0.625 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.5 | -38.6 | 177.7 | -170 | -89.8 | 0 | 0 | 0 | 112.6 | V147 R148 S149 M154 M155 | V147-W151 WeakPolarHBondContact O-CB 3.29Å; V147-W151 PolarHBondContact O-N 3.37Å; R148-W151 PolarHBondContact O-N 2.94Å; S149-W151 VanDerWaalsContact C-N 3.29Å; S149-W151 PolarHBondContact O-N 2.87Å; W151-M154 HydrophobicContact CE3-CE 4.22Å; W151-M154 HydrophobicContact CH2-CE 4.27Å; W151-M154 HydrophobicContact CZ3-CE 3.95Å; W151-M155 VanDerWaalsContact O-CB 3.25Å; W151-M155 WeakPolarHBondContact O-CB 3.31Å; W151-M155 PolarHBondContact O-N 2.89Å |
| 152 | S | 73.4 | Confident | 67.8 | Low | 50 Ų | 50 | 101.4 Ų | 101.4 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | R148 S149 M154 M155 D156 | R148-S152 PolarHBondContact O-N 3.37Å; R148-S152 PolarHBondContact O-OG 2.84Å; S149-S152 WeakPolarHBondContact CA-OG 3.35Å; S149-S152 PolarHBondContact O-N 3.08Å; S149-S152 PolarHBondContact O-OG 2.94Å; S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3.43Å; S152-M155 PolarHBondContact O-N 2.94Å; S152-M155 VanDerWaalsContact O-N 3.16Å; S152-D156 WeakPolarHBondContact O-CB 3.48Å; S152-D156 VanDerWaalsContact O-CG 3.3Å; S152-D156 PolarHBondContact O-N 2.83Å |
| 153 | D | 73.7 | Confident | 67.2 | Low | 98 Ų | 98 | 98.8 Ų | 98.8 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | -177.2 | -63.3 | -12.9 | 0 | 0 | 0 | 111.8 | S149 S157 | S149-D153 VanDerWaalsContact O-CG 3.22Å; S149-D153 PolarHBondContact O-N 2.78Å; S149-D153 VanDerWaalsContact O-N 3.08Å; D153-S157 WeakPolarHBondContact O-CB 3.43Å; D153-S157 PolarHBondContact O-N 2.85Å; D153-S157 VanDerWaalsContact O-N 3.09Å; D153-S157 PolarHBondContact O-OG 2.76Å |
| 154 | M | 73.6 | Confident | 66.5 | Low | 113 Ų | 113 | 99.4 Ų | 99.4 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 173.9 | -168.5 | -178.4 | 87.4 | 0 | 0 | 111.9 | F150 W151 S152 S157 A158 | F150-M154 WeakPolarHBondContact O-CB 3.33Å; F150-M154 PolarHBondContact O-N 3.48Å; W151-M154 HydrophobicContact CE3-CE 4.22Å; W151-M154 HydrophobicContact CH2-CE 4.27Å; W151-M154 HydrophobicContact CZ3-CE 3.95Å; S152-M154 VanDerWaalsContact C-N 3.32Å; S152-M154 PolarHBondContact O-N 3.43Å; M154-S157 PolarHBondContact O-N 2.79Å; M154-A158 PolarHBondContact O-N 2.99Å |
| 155 | M | 74.4 | Confident | 66.3 | Low | 77 Ų | 77 | 97.4 Ų | 97.4 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 179.4 | -170.2 | 66.6 | -127.4 | 0 | 0 | 111.6 | W151 S152 S157 A158 Q159 | W151-M155 VanDerWaalsContact O-CB 3.25Å; W151-M155 WeakPolarHBondContact O-CB 3.31Å; W151-M155 PolarHBondContact O-N 2.89Å; S152-M155 PolarHBondContact O-N 2.94Å; S152-M155 VanDerWaalsContact O-N 3.16Å; M155-S157 VanDerWaalsContact C-N 3.35Å; M155-A158 PolarHBondContact O-N 3.34Å; M155-Q159 HydrophobicContact CE-CG 3.9Å; M155-Q159 WeakPolarHBondContact O-CG 3.3Å; M155-Q159 PolarHBondContact O-N 3.4Å |
| 156 | D | 68.8 | Low | 65.8 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177 | -70.6 | -16.2 | 0 | 0 | 0 | 111.2 | S152 A158 Q159 S160 | S152-D156 WeakPolarHBondContact O-CB 3.48Å; S152-D156 VanDerWaalsContact O-CG 3.3Å; S152-D156 PolarHBondContact O-N 2.83Å; D156-A158 PolarHBondContact O-N 2.88Å; D156-Q159 PolarHBondContact O-N 2.98Å; D156-S160 PolarHBondContact O-N 3.19Å; D156-S160 VanDerWaalsContact O-N 3.16Å |
| 157 | S | 68.3 | Low | 65.9 | Low | 62 Ų | 62 | 100.9 Ų | 100.9 | 43% | 0.434 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 172.9 | -61 | 0 | 0 | 0 | 0 | 111.6 | D153 M154 M155 Q159 S160 F161 | D153-S157 WeakPolarHBondContact O-CB 3.43Å; D153-S157 PolarHBondContact O-N 2.85Å; D153-S157 VanDerWaalsContact O-N 3.09Å; D153-S157 PolarHBondContact O-OG 2.76Å; M154-S157 PolarHBondContact O-N 2.79Å; M155-S157 VanDerWaalsContact C-N 3.35Å; S157-Q159 PolarHBondContact O-N 2.92Å; S157-S160 PolarHBondContact O-N 3.39Å; S157-S160 PolarHBondContact O-OG 2.77Å; S157-F161 WeakPolarHBondContact O-CD2 3.25Å; S157-F161 PolarHBondContact O-N 3.35Å |
| 158 | A | 61.5 | Low | 65.7 | Low | 41 Ų | 41 | 99.9 Ų | 99.9 | 34% | 0.339 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | M154 M155 D156 S160 F161 I162 | M154-A158 PolarHBondContact O-N 2.99Å; M155-A158 PolarHBondContact O-N 3.34Å; D156-A158 PolarHBondContact O-N 2.88Å; A158-S160 VanDerWaalsContact C-N 3.3Å; A158-S160 PolarHBondContact O-N 3.32Å; A158-F161 PolarHBondContact O-N 2.83Å; A158-I162 WeakPolarHBondContact O-CD1 3.38Å; A158-I162 WeakPolarHBondContact O-CG1 3.36Å; A158-I162 PolarHBondContact O-N 2.79Å |
| 159 | Q | 61 | Low | 65.7 | Low | 105 Ų | 105 | 97.8 Ų | 97.8 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 175.4 | -72.8 | -175 | 12.5 | 0 | 0 | 112.5 | M155 D156 S157 F161 I162 T163 | M155-Q159 HydrophobicContact CE-CG 3.9Å; M155-Q159 WeakPolarHBondContact O-CG 3.3Å; M155-Q159 PolarHBondContact O-N 3.4Å; D156-Q159 PolarHBondContact O-N 2.98Å; S157-Q159 PolarHBondContact O-N 2.92Å; Q159-F161 VanDerWaalsContact C-N 3.29Å; Q159-F161 PolarHBondContact O-N 3.29Å; Q159-I162 PolarHBondContact O-N 3.3Å; Q159-T163 PolarHBondContact O-N 3.47Å; Q159-T163 PolarHBondContact O-OG1 2.92Å |
| 160 | S | 59.2 | Low | 65.7 | Low | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 177.9 | 79.3 | 0 | 0 | 0 | 0 | 113.2 | D156 S157 A158 | D156-S160 PolarHBondContact O-N 3.19Å; D156-S160 VanDerWaalsContact O-N 3.16Å; S157-S160 PolarHBondContact O-N 3.39Å; S157-S160 PolarHBondContact O-OG 2.77Å; A158-S160 VanDerWaalsContact C-N 3.3Å; A158-S160 PolarHBondContact O-N 3.32Å |
| 161 | F | 55.9 | Low | 65.4 | Low | 159 Ų | 159 | 99.8 Ų | 99.8 | 70% | 0.697 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.8 | -37.5 | 174.6 | -68.9 | -68.8 | 0 | 0 | 0 | 112.1 | S157 A158 Q159 T163 S164 | S157-F161 WeakPolarHBondContact O-CD2 3.25Å; S157-F161 PolarHBondContact O-N 3.35Å; A158-F161 PolarHBondContact O-N 2.83Å; Q159-F161 VanDerWaalsContact C-N 3.29Å; Q159-F161 PolarHBondContact O-N 3.29Å; F161-T163 VanDerWaalsContact C-N 3.28Å; F161-T163 PolarHBondContact O-N 2.95Å; F161-S164 PolarHBondContact O-OG 3.07Å; F161-S164 VanDerWaalsContact O-OG 3.05Å |
| 162 | I | 53.2 | Low | 65.3 | Low | 137 Ų | 137 | 94.1 Ų | 94.1 | 70% | 0.703 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.5 | -22.8 | -177.8 | -63.7 | 164.8 | 0 | 0 | 0 | 112.3 | A158 Q159 | A158-I162 WeakPolarHBondContact O-CD1 3.38Å; A158-I162 WeakPolarHBondContact O-CG1 3.36Å; A158-I162 PolarHBondContact O-N 2.79Å; Q159-I162 PolarHBondContact O-N 3.3Å |
| 163 | T | 51.9 | Low | 65 | Low | 81 Ų | 81 | 100.6 Ų | 100.6 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 6.7 | -178 | 35.7 | 0 | 0 | 0 | 0 | 115.2 | Q159 F161 S165 | Q159-T163 PolarHBondContact O-N 3.47Å; Q159-T163 PolarHBondContact O-OG1 2.92Å; F161-T163 VanDerWaalsContact C-N 3.28Å; F161-T163 PolarHBondContact O-N 2.95Å; T163-S165 PolarHBondContact O-N 2.89Å |
| 164 | S | 51.7 | Low | 65 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 57% | 0.566 | 53% | 0.529 | S | S | * | . | trans | -69 | 93.3 | -176.9 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | F161 W166 | F161-S164 PolarHBondContact O-OG 3.07Å; F161-S164 VanDerWaalsContact O-OG 3.05Å; S164-W166 PolarHBondContact O-N 3.09Å | ||
| 165 | S | 59.3 | Low | 65 | Low | 65 Ų | 65 | 97.5 Ų | 97.5 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | trans | -73.6 | 112.4 | 166 | 62.2 | 0 | 0 | 0 | 0 | 108.6 | T163 | T163-S165 PolarHBondContact O-N 2.89Š| ||
| 166 | W | 58.1 | Low | 64.5 | Low | 170 Ų | 170 | 100.4 Ų | 100.4 | 64% | 0.644 | 54% | 0.538 | S | S | * | . | trans | -91.1 | 136.7 | 176.6 | 59.3 | -74.1 | 0 | 0 | 0 | 109.9 | S164 F168 S182 | S164-W166 PolarHBondContact O-N 3.09Å; W166-F168 AromaticContact CE3-CD1 3.92Å; W166-F168 HydrophobicContact CE3-CD1 3.92Å; W166-F168 HydrophobicContact CH2-CD1 4.31Å; W166-F168 HydrophobicContact CH2-CE1 4.16Å; W166-F168 AromaticContact CZ3-CD1 3.44Å; W166-F168 HydrophobicContact CZ3-CD1 3.44Å; W166-F168 VanDerWaalsContact CZ3-CD1 3.44Å; W166-F168 AromaticContact CZ3-CE1 3.71Å; W166-F168 HydrophobicContact CZ3-CE1 3.71Å; W166-S182 PolarHBondContact N-OG 2.75Å; W166-S182 PolarHBondContact NE1-OG 2.76Å; W166-S182 VanDerWaalsContact NE1-OG 3.09Å; W166-S182 PolarHBondContact O-N 3.17Å; W166-S182 PolarHBondContact O-OG 3.11Å; W166-S182 VanDerWaalsContact O-OG 3.09Å | ||
| 167 | T | 71.1 | Confident | 64.8 | Low | 63 Ų | 63 | 100.9 Ų | 100.9 | 39% | 0.387 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.1 | 175.1 | 58.6 | 0 | 0 | 0 | 0 | 109 | F180 Q181 | T167-F180 WeakPolarHBondContact CA-O 3.39Å; T167-Q181 HydrophobicContact CG2-CB 4.02Å; T167-Q181 HydrophobicContact CG2-CG 3.88Å |
| 168 | F | 71.5 | Confident | 64.9 | Low | 72 Ų | 72 | 101.2 Ų | 101.2 | 32% | 0.316 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.2 | 175.2 | 75.8 | -91.1 | 0 | 0 | 0 | 110.9 | W166 L170 F180 | W166-F168 AromaticContact CE3-CD1 3.92Å; W166-F168 HydrophobicContact CE3-CD1 3.92Å; W166-F168 HydrophobicContact CH2-CD1 4.31Å; W166-F168 HydrophobicContact CH2-CE1 4.16Å; W166-F168 AromaticContact CZ3-CD1 3.44Å; W166-F168 HydrophobicContact CZ3-CD1 3.44Å; W166-F168 VanDerWaalsContact CZ3-CD1 3.44Å; W166-F168 AromaticContact CZ3-CE1 3.71Å; W166-F168 HydrophobicContact CZ3-CE1 3.71Å; F168-L170 HydrophobicContact CD2-CD1 4.17Å; F168-L170 HydrophobicContact CD2-CD2 4.23Å; F168-L170 HydrophobicContact CD2-CG 3.71Å; F168-L170 HydrophobicContact CE2-CD1 3.54Å; F168-L170 HydrophobicContact CE2-CD2 4.42Å; F168-L170 HydrophobicContact CE2-CG 3.6Å; F168-F180 HydrophobicContact CD1-CB 3.56Å; F168-F180 HydrophobicContact CD1-CG 4.36Å; F168-F180 HydrophobicContact CD2-CB 4.36Å; F168-F180 AromaticContact CD2-CD2 3.97Å; F168-F180 HydrophobicContact CD2-CD2 3.97Å; F168-F180 HydrophobicContact CE1-CB 3.12Å; F168-F180 HydrophobicContact CE1-CD1 4.34Å; F168-F180 AromaticContact CE1-CD2 3.95Å; F168-F180 HydrophobicContact CE1-CD2 3.95Å; F168-F180 AromaticContact CE1-CG 3.58Å; F168-F180 HydrophobicContact CE1-CG 3.58Å; F168-F180 HydrophobicContact CE2-CB 3.97Å; F168-F180 AromaticContact CE2-CD2 3.18Å; F168-F180 HydrophobicContact CE2-CD2 3.18Å; F168-F180 AromaticContact CE2-CE2 3.77Å; F168-F180 HydrophobicContact CE2-CE2 3.77Å; F168-F180 AromaticContact CE2-CG 3.74Å; F168-F180 HydrophobicContact CE2-CG 3.74Å; F168-F180 HydrophobicContact CG-CB 4.18Å; F168-F180 HydrophobicContact CZ-CB 3.35Å; F168-F180 AromaticContact CZ-CD1 3.94Å; F168-F180 HydrophobicContact CZ-CD1 3.94Å; F168-F180 AromaticContact CZ-CD2 3.18Å; F168-F180 HydrophobicContact CZ-CD2 3.18Å; F168-F180 AromaticContact CZ-CE2 3.86Å; F168-F180 HydrophobicContact CZ-CE2 3.86Å; F168-F180 AromaticContact CZ-CG 3.21Å; F168-F180 HydrophobicContact CZ-CG 3.21Å; F168-F180 HydrophobicContact CZ-CZ 4.49Å; F168-F180 PolarHBondContact N-O 3.36Å; F168-F180 VanDerWaalsContact N-O 3.13Å; F168-F180 PolarHBondContact O-N 3.26Å; F168-F180 VanDerWaalsContact O-N 3.13Å |
| 169 | Y | 73.3 | Confident | 65.4 | Low | 152 Ų | 152 | 104.3 Ų | 104.3 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.5 | -179.5 | -57.4 | -89.1 | 0 | 0 | 0 | 108.2 | I177 I179 | Y169-I177 HydrophobicContact CD1-CG2 4.23Å; Y169-I179 HydrophobicContact CD1-CD1 4.46Å; Y169-I179 HydrophobicContact CD1-CG1 3.91Å; Y169-I179 HydrophobicContact CD1-CG2 4.4Å; Y169-I179 HydrophobicContact CE1-CD1 4.14Å; Y169-I179 HydrophobicContact CE1-CG1 4Å; Y169-I179 HydrophobicContact CE1-CG2 4.09Å |
| 170 | L | 71.4 | Confident | 65.6 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.9 | 168.3 | -67.7 | -178.7 | 0 | 0 | 0 | 108.9 | F168 V178 F180 | F168-L170 HydrophobicContact CD2-CD1 4.17Å; F168-L170 HydrophobicContact CD2-CD2 4.23Å; F168-L170 HydrophobicContact CD2-CG 3.71Å; F168-L170 HydrophobicContact CE2-CD1 3.54Å; F168-L170 HydrophobicContact CE2-CD2 4.42Å; F168-L170 HydrophobicContact CE2-CG 3.6Å; L170-V178 PolarHBondContact N-O 3.47Å; L170-V178 VanDerWaalsContact N-O 3.11Å; L170-V178 PolarHBondContact O-N 3.33Å; L170-F180 HydrophobicContact CD1-CE2 4.32Å |
| 171 | Q | 69.3 | Low | 65.8 | Low | 144 Ų | 144 | 107 Ų | 107 | 67% | 0.673 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 111 | 167.7 | -170.3 | 168.8 | 18.7 | 0 | 0 | 107.3 | I177 | Q171-I177 HydrophobicContact CG-CG1 4.37Å |
| 172 | A | 70.5 | Confident | 66.3 | Low | 46 Ų | 46 | 101.1 Ų | 101.1 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | trans | -77.2 | 158.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D174 G175 K176 | A172-D174 WeakPolarHBondContact CB-OD1 3.26Å; A172-D174 PolarHBondContact O-N 3.38Å; A172-G175 PolarHBondContact O-N 3.24Å; A172-K176 PolarHBondContact N-O 3.05Å; A172-K176 VanDerWaalsContact N-O 3.07Å | ||
| 173 | D | 68.3 | Low | 66.3 | Low | 186 Ų | 186 | 103 Ų | 103 | 100% | 0.995 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -10.8 | -175.7 | -64.2 | -36.1 | 0 | 0 | 0 | 114.2 | G175 | D173-G175 VanDerWaalsContact C-N 3.35Š|
| 174 | D | 73.2 | Confident | 66.4 | Low | 95 Ų | 95 | 102.4 Ų | 102.4 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 10.6 | 174.7 | 72 | -23.5 | 0 | 0 | 0 | 114 | A172 K176 | A172-D174 WeakPolarHBondContact CB-OD1 3.26Å; A172-D174 PolarHBondContact O-N 3.38Å; D174-K176 PolarHBondContact O-N 2.89Å; D174-K176 PolarHBondContact OD1-N 3.14Å; D174-K176 WeakPolarHBondContact OD2-CD 3.45Å; D174-K176 WeakPolarHBondContact OD2-CE 3.37Å; D174-K176 IonicContact OD2-NZ 2.77Å; D174-K176 PolarHBondContact OD2-NZ 3.33Å |
| 175 | G | 73.1 | Confident | 65.9 | Low | 51 Ų | 51 | 106.7 Ų | 106.7 | 53% | 0.526 | 54% | 0.543 | S | S | . | . | S | Bend | trans | 75.2 | 5.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A172 D173 | A172-G175 PolarHBondContact O-N 3.24Å; D173-G175 VanDerWaalsContact C-N 3.35Å |
| 176 | K | 64.3 | Low | 65.6 | Low | 137 Ų | 137 | 108.2 Ų | 108.2 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -90.5 | 134.5 | 175.8 | -61.4 | -177.5 | -163.6 | 128.5 | 0 | 110.2 | A172 D174 | A172-K176 PolarHBondContact N-O 3.05Å; A172-K176 VanDerWaalsContact N-O 3.07Å; D174-K176 PolarHBondContact O-N 2.89Å; D174-K176 PolarHBondContact OD1-N 3.14Å; D174-K176 WeakPolarHBondContact OD2-CD 3.45Å; D174-K176 WeakPolarHBondContact OD2-CE 3.37Å; D174-K176 IonicContact OD2-NZ 2.77Å; D174-K176 PolarHBondContact OD2-NZ 3.33Å |
| 177 | I | 75.8 | Confident | 64.6 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 54% | 0.538 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | 178.1 | -56 | 168.3 | 0 | 0 | 0 | 107.7 | Y169 Q171 I179 | Y169-I177 HydrophobicContact CD1-CG2 4.23Å; Q171-I177 HydrophobicContact CG-CG1 4.37Å; I177-I179 HydrophobicContact CG2-CG1 4.44Å |
| 178 | V | 68.5 | Low | 63.3 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 42% | 0.418 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 124 | 173.2 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | L170 F180 | L170-V178 PolarHBondContact N-O 3.47Å; L170-V178 VanDerWaalsContact N-O 3.11Å; L170-V178 PolarHBondContact O-N 3.33Å; V178-F180 HydrophobicContact CB-CE2 4Å; V178-F180 HydrophobicContact CG1-CD2 4.02Å; V178-F180 HydrophobicContact CG1-CE1 4.46Å; V178-F180 HydrophobicContact CG1-CE2 3.44Å; V178-F180 VanDerWaalsContact CG1-CE2 3.44Å; V178-F180 HydrophobicContact CG1-CZ 3.7Å |
| 179 | I | 72.9 | Confident | 61.7 | Low | 107 Ų | 107 | 115 Ų | 115 | 55% | 0.549 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.8 | -178.9 | -52 | 174 | 0 | 0 | 0 | 107.9 | Y169 I177 | Y169-I179 HydrophobicContact CD1-CD1 4.46Å; Y169-I179 HydrophobicContact CD1-CG1 3.91Å; Y169-I179 HydrophobicContact CD1-CG2 4.4Å; Y169-I179 HydrophobicContact CE1-CD1 4.14Å; Y169-I179 HydrophobicContact CE1-CG1 4Å; Y169-I179 HydrophobicContact CE1-CG2 4.09Å; I177-I179 HydrophobicContact CG2-CG1 4.44Å |
| 180 | F | 64.5 | Low | 60 | Low | 96 Ų | 96 | 113.8 Ų | 113.8 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.3 | 172.6 | -67.6 | -90.4 | 0 | 0 | 0 | 108.5 | T167 F168 L170 V178 | T167-F180 WeakPolarHBondContact CA-O 3.39Å; F168-F180 HydrophobicContact CD1-CB 3.56Å; F168-F180 HydrophobicContact CD1-CG 4.36Å; F168-F180 HydrophobicContact CD2-CB 4.36Å; F168-F180 AromaticContact CD2-CD2 3.97Å; F168-F180 HydrophobicContact CD2-CD2 3.97Å; F168-F180 HydrophobicContact CE1-CB 3.12Å; F168-F180 HydrophobicContact CE1-CD1 4.34Å; F168-F180 AromaticContact CE1-CD2 3.95Å; F168-F180 HydrophobicContact CE1-CD2 3.95Å; F168-F180 AromaticContact CE1-CG 3.58Å; F168-F180 HydrophobicContact CE1-CG 3.58Å; F168-F180 HydrophobicContact CE2-CB 3.97Å; F168-F180 AromaticContact CE2-CD2 3.18Å; F168-F180 HydrophobicContact CE2-CD2 3.18Å; F168-F180 AromaticContact CE2-CE2 3.77Å; F168-F180 HydrophobicContact CE2-CE2 3.77Å; F168-F180 AromaticContact CE2-CG 3.74Å; F168-F180 HydrophobicContact CE2-CG 3.74Å; F168-F180 HydrophobicContact CG-CB 4.18Å; F168-F180 HydrophobicContact CZ-CB 3.35Å; F168-F180 AromaticContact CZ-CD1 3.94Å; F168-F180 HydrophobicContact CZ-CD1 3.94Å; F168-F180 AromaticContact CZ-CD2 3.18Å; F168-F180 HydrophobicContact CZ-CD2 3.18Å; F168-F180 AromaticContact CZ-CE2 3.86Å; F168-F180 HydrophobicContact CZ-CE2 3.86Å; F168-F180 AromaticContact CZ-CG 3.21Å; F168-F180 HydrophobicContact CZ-CG 3.21Å; F168-F180 HydrophobicContact CZ-CZ 4.49Å; F168-F180 PolarHBondContact N-O 3.36Å; F168-F180 VanDerWaalsContact N-O 3.13Å; F168-F180 PolarHBondContact O-N 3.26Å; F168-F180 VanDerWaalsContact O-N 3.13Å; L170-F180 HydrophobicContact CD1-CE2 4.32Å; V178-F180 HydrophobicContact CB-CE2 4Å; V178-F180 HydrophobicContact CG1-CD2 4.02Å; V178-F180 HydrophobicContact CG1-CE1 4.46Å; V178-F180 HydrophobicContact CG1-CE2 3.44Å; V178-F180 VanDerWaalsContact CG1-CE2 3.44Å; V178-F180 HydrophobicContact CG1-CZ 3.7Å |
| 181 | Q | 64.3 | Low | 58.1 | Low | 132 Ų | 132 | 116.7 Ų | 116.7 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.8 | 178.9 | 177.9 | 176.6 | 45.2 | 0 | 0 | 109.7 | T167 | T167-Q181 HydrophobicContact CG2-CB 4.02Å; T167-Q181 HydrophobicContact CG2-CG 3.88Å |
| 182 | S | 66.1 | Low | 56.6 | Low | 35 Ų | 35 | 117.6 Ų | 117.6 | 25% | 0.245 | 62% | 0.618 | C | S | . | * | trans | -81.6 | 131.9 | 165.7 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | W166 | W166-S182 PolarHBondContact N-OG 2.75Å; W166-S182 PolarHBondContact NE1-OG 2.76Å; W166-S182 VanDerWaalsContact NE1-OG 3.09Å; W166-S182 PolarHBondContact O-N 3.17Å; W166-S182 PolarHBondContact O-OG 3.11Å; W166-S182 VanDerWaalsContact O-OG 3.09Å | ||
| 183 | K | 54.2 | Low | 54.7 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | trans | -95 | 135.3 | 168.8 | -72.1 | -176.5 | 179.5 | 177.6 | 0 | 108.6 | E185 | K183-E185 PolarHBondContact O-N 3.48Å; K183-E185 VanDerWaalsContact O-N 3.16Å | ||
| 184 | P | 53.4 | Low | 53.3 | Low | 69 Ų | 69 | 123 Ų | 123 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | trans | -71.3 | 109 | 170.3 | 28.7 | -30.7 | 0 | 0 | 0 | 108.2 | I186 | P184-I186 HydrophobicContact CB-CG1 4.44Å; P184-I186 PolarHBondContact O-N 3.36Å | ||
| 185 | E | 41.2 | Very low | 51.1 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | trans | -86 | 87.4 | 172.1 | -166.1 | 159.9 | 178.4 | 0 | 0 | 108.3 | K183 Q187 | K183-E185 PolarHBondContact O-N 3.48Å; K183-E185 VanDerWaalsContact O-N 3.16Å; E185-Q187 PolarHBondContact O-N 3.45Å | ||
| 186 | I | 52.4 | Low | 48.9 | Very low | 96 Ų | 96 | 129 Ų | 129 | 49% | 0.492 | 65% | 0.651 | S | S | . | * | trans | -75.6 | 96.1 | 175.1 | -41.6 | 169 | 0 | 0 | 0 | 106.5 | P184 Y188 | P184-I186 HydrophobicContact CB-CG1 4.44Å; P184-I186 PolarHBondContact O-N 3.36Å; I186-Y188 HydrophobicContact CB-CE2 4.19Å; I186-Y188 HydrophobicContact CG2-CE1 4.29Å; I186-Y188 HydrophobicContact CG2-CE2 4.21Å; I186-Y188 PolarHBondContact O-N 2.73Å | ||
| 187 | Q | 38.2 | Very low | 47.2 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | trans | -70.2 | 99.1 | 164.2 | -73.1 | -175.6 | 26.7 | 0 | 0 | 107.7 | E185 A189 | E185-Q187 PolarHBondContact O-N 3.45Å; Q187-A189 PolarHBondContact O-N 2.95Å | ||
| 188 | Y | 42.9 | Very low | 44.9 | Very low | 189 Ų | 189 | 130.3 Ų | 130.3 | 74% | 0.741 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 118.7 | 164.3 | -64.8 | -83.9 | 0 | 0 | 0 | 107.4 | I186 | I186-Y188 HydrophobicContact CB-CE2 4.19Å; I186-Y188 HydrophobicContact CG2-CE1 4.29Å; I186-Y188 HydrophobicContact CG2-CE2 4.21Å; I186-Y188 PolarHBondContact O-N 2.73Å |
| 189 | A | 37.4 | Very low | 43.1 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 132.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q187 H191 | Q187-A189 PolarHBondContact O-N 2.95Å; A189-H191 PolarHBondContact O-N 3.35Å |
| 190 | P | 38.2 | Very low | 41 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 119.1 | -176 | 23 | -30.8 | 0 | 0 | 0 | 108.3 | L192 | P190-L192 PolarHBondContact O-N 3.25Å; P190-L192 VanDerWaalsContact O-N 3.08Å |
| 191 | H | 32.1 | Very low | 39.2 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | trans | -49.6 | 115.9 | 166.9 | -170.6 | -90.9 | 0 | 0 | 0 | 106.8 | A189 E193 | A189-H191 PolarHBondContact O-N 3.35Å; H191-E193 PolarHBondContact O-N 2.9Å | ||
| 192 | L | 36.3 | Very low | 37.5 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | trans | -71.1 | 80.5 | 177.5 | -153.7 | 144.1 | 0 | 0 | 0 | 106.3 | P190 Q194 | P190-L192 PolarHBondContact O-N 3.25Å; P190-L192 VanDerWaalsContact O-N 3.08Å; L192-Q194 PolarHBondContact O-N 3.38Å; L192-Q194 VanDerWaalsContact O-N 3.15Å | ||
| 193 | E | 30.8 | Very low | 35.8 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -63 | 114.8 | 167.8 | -78.8 | -157 | 118.9 | 0 | 0 | 107.9 | H191 E195 | H191-E193 PolarHBondContact O-N 2.9Å; E193-E195 PolarHBondContact O-N 2.84Å | ||
| 194 | Q | 40 | Very low | 34.8 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -59.8 | 83.9 | 164.8 | -179.4 | 177.2 | 5.6 | 0 | 0 | 108.8 | L192 | L192-Q194 PolarHBondContact O-N 3.38Å; L192-Q194 VanDerWaalsContact O-N 3.15Å | ||
| 195 | E | 25.8 | Very low | 33.5 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -97 | 105.9 | 164.5 | -169.5 | 153.3 | 107.3 | 0 | 0 | 109.8 | E193 | E193-E195 PolarHBondContact O-N 2.84Š| ||
| 196 | S | 28.3 | Very low | 33 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | -63.3 | 144.4 | 164.9 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 197 | T | 27.8 | Very low | 31.9 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | 102.4 | 106.3 | 153.7 | 72.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 198 | N | 27.5 | Very low | 31.4 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | 63.7 | 109.9 | 142.5 | -65.4 | -67.7 | 0 | 0 | 0 | 119.6 | ||||
| 199 | L | 30.8 | Very low | 30.8 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | -168.1 | 95.6 | 116.8 | -97.9 | 168.6 | 0 | 0 | 0 | 111.2 | |||||
| 200 | R | 28.4 | Very low | 30.5 | Very low | 212 Ų | 212 | 154.2 Ų | 154.2 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | 24.3 | 105.5 | 132.9 | -160 | 169.7 | 178.8 | -165.7 | -2 | 118.7 | ||||
| 201 | E | 28 | Very low | 30.1 | Very low | 161 Ų | 161 | 156.9 Ų | 156.9 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | 75.6 | 97.8 | 121.4 | -148.3 | 148.1 | -149.1 | 0 | 0 | 119 | |||||
| 202 | S | 27.8 | Very low | 30.2 | Very low | 112 Ų | 112 | 157.7 Ų | 157.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -152.6 | 112.9 | 138.8 | -139.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 203 | S | 30.7 | Very low | 29.6 | Very low | 97 Ų | 97 | 161.3 Ų | 161.3 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | 60.1 | 84.8 | 143.7 | 65.4 | 0 | 0 | 0 | 0 | 120.3 | S205 | S203-S205 PolarHBondContact O-N 3.47Š| ||
| 204 | L | 33.9 | Very low | 29.6 | Very low | 177 Ų | 177 | 161 Ų | 161 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | -4.3 | 109.2 | 115.1 | -170.5 | 127.6 | 0 | 0 | 0 | 115.3 | |||||
| 205 | S | 25.7 | Very low | 29.2 | Very low | 99 Ų | 99 | 156.7 Ų | 156.7 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -164.7 | 127 | 139.6 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | S203 | S203-S205 PolarHBondContact O-N 3.47Š| ||
| 206 | K | 31.2 | Very low | 29.7 | Very low | 207 Ų | 207 | 157 Ų | 157 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | trans | 78.2 | 72.9 | 155.7 | -68.5 | 174.1 | 175.5 | 170.5 | 0 | 118.7 | ||||
| 207 | M | 28.9 | Very low | 29.8 | Very low | 186 Ų | 186 | 157.3 Ų | 157.3 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -70.6 | 137.6 | 137.9 | -178.9 | 87.8 | 108.1 | 0 | 0 | 109.7 | ||||
| 208 | S | 27 | Very low | 29.9 | Very low | 95 Ų | 95 | 159.6 Ų | 159.6 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | trans | 71.6 | 109.9 | 160.6 | -165 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 209 | Y | 30.4 | Very low | 30.1 | Very low | 223 Ų | 223 | 163.1 Ų | 163.1 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | -175.3 | 138.6 | 126.1 | -97.8 | -73.9 | 0 | 0 | 0 | 109.2 | |||||
| 210 | L | 31.6 | Very low | 30.4 | Very low | 162 Ų | 162 | 163 Ų | 163 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 87.6 | 94.3 | 179.8 | -52.4 | 179.4 | 0 | 0 | 0 | 114 | ||||
| 211 | Q | 29.1 | Very low | 30.6 | Very low | 180 Ų | 180 | 162 Ų | 162 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | 49.6 | 92.2 | 54.8 | -161.7 | 152 | -25.4 | 0 | 0 | 113.9 | |||||
| 212 | M | 33.8 | Very low | 31.1 | Very low | 180 Ų | 180 | 160.8 Ų | 160.8 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | 37.1 | 103.2 | 136.1 | -161.4 | 156.7 | -156 | 0 | 0 | 117.4 | ||||
| 213 | R | 25.1 | Very low | 31.9 | Very low | 238 Ų | 238 | 164.4 Ų | 164.4 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -151.3 | 117.7 | 145 | -159.7 | 152.7 | -177.8 | 143.7 | -2.3 | 112.3 | ||||
| 214 | N | 30.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 168 Ų | 168 | 81% | 0.807 | 83% | 0.833 | S | S | * | * | trans | -76.9 | 139.1 | 169.1 | -161.8 | 8.3 | 0 | 0 | 0 | 109.6 | ||||
| 215 | S | 31.7 | Very low | 32.8 | Very low | 98 Ų | 98 | 161.3 Ų | 161.3 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | 153.1 | 98.5 | 150.7 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 216 | Q | 35.4 | Very low | 33.9 | Very low | 191 Ų | 191 | 165.6 Ų | 165.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | 85.4 | 125.6 | 86 | -129.8 | 176.4 | 15.2 | 0 | 0 | 114.5 | |||||
| 217 | A | 30.1 | Very low | 34.8 | Very low | 95 Ų | 95 | 159.8 Ų | 159.8 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 97.8 | 115.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 218 | H | 30.2 | Very low | 36 | Very low | 167 Ų | 167 | 156.3 Ų | 156.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 113.7 | 84.1 | 133.9 | -145.1 | 71.2 | 0 | 0 | 0 | 116.9 | ||||
| 219 | R | 33.3 | Very low | 37.4 | Very low | 223 Ų | 223 | 153.9 Ų | 153.9 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | -176.8 | 117.8 | 102.8 | -96.2 | 175.9 | 175.8 | 163.8 | -1.6 | 111.5 | |||||
| 220 | N | 35.4 | Very low | 38.8 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -78.3 | 137.2 | 163.9 | -64.8 | -41.2 | 0 | 0 | 0 | 109.1 | ||||
| 221 | F | 32.8 | Very low | 39.9 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -159.8 | 129.8 | 148.2 | -162.5 | -108.5 | 0 | 0 | 0 | 110.3 | ||||
| 222 | L | 38.4 | Very low | 41.2 | Very low | 136 Ų | 136 | 148 Ų | 148 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | trans | 69.1 | 88.8 | 176.3 | -91.3 | 154.5 | 0 | 0 | 0 | 115.3 | ||||
| 223 | E | 45.7 | Very low | 42.2 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | 58.2 | 77.4 | 71.5 | -153.5 | -173.1 | 157.5 | 0 | 0 | 112.3 | |||||
| 224 | D | 38.9 | Very low | 43.7 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | trans | -169.8 | 141.1 | 135.9 | -152.7 | -9 | 0 | 0 | 0 | 108.8 | ||||
| 225 | G | 44.7 | Very low | 44.9 | Very low | 36 Ų | 36 | 132 Ų | 132 | 37% | 0.371 | 69% | 0.693 | S | S | . | * | trans | 113.2 | 48.2 | 171 | 0 | 0 | 0 | 0 | 0 | 118 | S227 D228 | G225-S227 PolarHBondContact O-N 3.49Å; G225-D228 PolarHBondContact O-N 2.86Å | ||
| 226 | E | 47.2 | Very low | 46.3 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -55.3 | -18.1 | 166.7 | -172.2 | 86.8 | 92.4 | 0 | 0 | 112.7 | ||
| 227 | S | 51.8 | Low | 47.6 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82 | -27.7 | -179.2 | -151.3 | 0 | 0 | 0 | 0 | 114.4 | G225 | G225-S227 PolarHBondContact O-N 3.49Å |
| 228 | D | 53.8 | Low | 49.2 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 60% | 0.604 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.2 | -23.7 | -175.5 | -75.1 | -22.6 | 0 | 0 | 0 | 112.9 | G225 R232 | G225-D228 PolarHBondContact O-N 2.86Å; D228-R232 VanDerWaalsContact O-CB 3.27Å; D228-R232 WeakPolarHBondContact O-CB 3.43Å; D228-R232 WeakPolarHBondContact O-CG 3.32Å; D228-R232 PolarHBondContact O-N 3.49Å; D228-R232 VanDerWaalsContact O-N 3.08Å |
| 229 | G | 56.8 | Low | 51.1 | Low | 44 Ų | 44 | 121.8 Ų | 121.8 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71 | -38.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C233 | G229-C233 PolarHBondContact O-N 2.87Å; G229-C233 VanDerWaalsContact O-N 3.15Å |
| 230 | F | 58.6 | Low | 52.9 | Low | 148 Ų | 148 | 121.5 Ų | 121.5 | 65% | 0.649 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.2 | -44.5 | -179.2 | -174 | -103.9 | 0 | 0 | 0 | 111.7 | L234 | F230-L234 HydrophobicContact CD1-CD1 3.73Å; F230-L234 HydrophobicContact CE1-CD1 3.41Å; F230-L234 VanDerWaalsContact CE1-CD1 3.41Å; F230-L234 HydrophobicContact CG-CD1 4.45Å; F230-L234 HydrophobicContact CZ-CD1 3.9Å; F230-L234 WeakPolarHBondContact O-CG 3.3Å; F230-L234 PolarHBondContact O-N 3.29Å; F230-L234 VanDerWaalsContact O-N 3.17Å |
| 231 | L | 54.8 | Low | 55.1 | Low | 106 Ų | 106 | 118.6 Ų | 118.6 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71 | -32.3 | 177.3 | -64.7 | 177 | 0 | 0 | 0 | 112.5 | S235 | L231-S235 WeakPolarHBondContact O-CB 3.23Å; L231-S235 PolarHBondContact O-N 2.8Å |
| 232 | R | 56 | Low | 57.3 | Low | 186 Ų | 186 | 114 Ų | 114 | 70% | 0.702 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.9 | -38.8 | 174.1 | -87.5 | -162.6 | 141.8 | -177.6 | -1.7 | 113.7 | D228 S235 L236 | D228-R232 VanDerWaalsContact O-CB 3.27Å; D228-R232 WeakPolarHBondContact O-CB 3.43Å; D228-R232 WeakPolarHBondContact O-CG 3.32Å; D228-R232 PolarHBondContact O-N 3.49Å; D228-R232 VanDerWaalsContact O-N 3.08Å; R232-S235 WeakPolarHBondContact O-CB 3.43Å; R232-S235 PolarHBondContact O-N 3.23Å; R232-L236 WeakPolarHBondContact O-CD1 3.18Å; R232-L236 PolarHBondContact O-N 3.33Å |
| 233 | C | 56.3 | Low | 59.3 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 66% | 0.662 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.6 | -37.7 | 174.8 | -90.5 | 0 | 0 | 0 | 0 | 112.3 | G229 S235 | G229-C233 PolarHBondContact O-N 2.87Å; G229-C233 VanDerWaalsContact O-N 3.15Å; C233-S235 VanDerWaalsContact C-N 3.34Å |
| 234 | L | 55.6 | Low | 61.1 | Low | 59 Ų | 59 | 105.6 Ų | 105.6 | 31% | 0.309 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.5 | -35.9 | 171.2 | -73.5 | 164.9 | 0 | 0 | 0 | 111.8 | F230 S238 G239 L242 | F230-L234 HydrophobicContact CD1-CD1 3.73Å; F230-L234 HydrophobicContact CE1-CD1 3.41Å; F230-L234 VanDerWaalsContact CE1-CD1 3.41Å; F230-L234 HydrophobicContact CG-CD1 4.45Å; F230-L234 HydrophobicContact CZ-CD1 3.9Å; F230-L234 WeakPolarHBondContact O-CG 3.3Å; F230-L234 PolarHBondContact O-N 3.29Å; F230-L234 VanDerWaalsContact O-N 3.17Å; L234-S238 VanDerWaalsContact C-OG 3.26Å; L234-S238 WeakPolarHBondContact CA-OG 3.49Å; L234-S238 WeakPolarHBondContact CD2-OG 3.33Å; L234-S238 CarbonylContact O-C 3.59Å; L234-S238 VanDerWaalsContact O-CA 3.28Å; L234-S238 WeakPolarHBondContact O-CA 3.38Å; L234-S238 WeakPolarHBondContact O-CB 3.34Å; L234-S238 PolarHBondContact O-N 2.85Å; L234-S238 PolarHBondContact O-OG 2.77Å; L234-G239 PolarHBondContact O-N 3.11Å; L234-G239 VanDerWaalsContact O-N 3.17Å; L234-L242 HydrophobicContact CB-CD1 4.42Å |
| 235 | S | 56 | Low | 63.5 | Low | 77 Ų | 77 | 101 Ų | 101 | 54% | 0.538 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 177.9 | 155.5 | 0 | 0 | 0 | 0 | 113.6 | L231 R232 C233 | L231-S235 WeakPolarHBondContact O-CB 3.23Å; L231-S235 PolarHBondContact O-N 2.8Å; R232-S235 WeakPolarHBondContact O-CB 3.43Å; R232-S235 PolarHBondContact O-N 3.23Å; C233-S235 VanDerWaalsContact C-N 3.34Å |
| 236 | L | 60.4 | Low | 65.4 | Low | 141 Ų | 141 | 104.5 Ų | 104.5 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -79 | -30.2 | -171.2 | -82.6 | 155.5 | 0 | 0 | 0 | 114.4 | R232 | R232-L236 WeakPolarHBondContact O-CD1 3.18Å; R232-L236 PolarHBondContact O-N 3.33Å |
| 237 | N | 62.9 | Low | 67.4 | Low | 154 Ų | 154 | 99.5 Ų | 99.5 | 82% | 0.824 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -124.5 | -19 | -176.5 | -136.9 | 32.3 | 0 | 0 | 0 | 114 | ||
| 238 | S | 62.5 | Low | 68.9 | Low | 20 Ų | 20 | 100.7 Ų | 100.7 | 14% | 0.14 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -116.4 | 13.2 | 177.6 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | L234 W240 I241 L242 | L234-S238 VanDerWaalsContact C-OG 3.26Å; L234-S238 WeakPolarHBondContact CA-OG 3.49Å; L234-S238 WeakPolarHBondContact CD2-OG 3.33Å; L234-S238 CarbonylContact O-C 3.59Å; L234-S238 VanDerWaalsContact O-CA 3.28Å; L234-S238 WeakPolarHBondContact O-CA 3.38Å; L234-S238 WeakPolarHBondContact O-CB 3.34Å; L234-S238 PolarHBondContact O-N 2.85Å; L234-S238 PolarHBondContact O-OG 2.77Å; S238-W240 PolarHBondContact O-N 3.25Å; S238-I241 WeakPolarHBondContact O-CA 3.33Å; S238-I241 WeakPolarHBondContact O-CB 3.45Å; S238-I241 PolarHBondContact O-N 3.2Å; S238-L242 PolarHBondContact O-N 2.87Å |
| 239 | G | 70.3 | Confident | 70.7 | Confident | 22 Ų | 22 | 98.1 Ų | 98.1 | 23% | 0.227 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -54.9 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L234 I241 L242 T243 | L234-G239 PolarHBondContact O-N 3.11Å; L234-G239 VanDerWaalsContact O-N 3.17Å; G239-I241 VanDerWaalsContact C-N 3.31Å; G239-I241 PolarHBondContact O-N 3.13Å; G239-L242 PolarHBondContact O-N 3.13Å; G239-T243 VanDerWaalsContact O-CG2 3.31Å; G239-T243 WeakPolarHBondContact O-CG2 3.44Å; G239-T243 PolarHBondContact O-N 3.31Å; G239-T243 PolarHBondContact O-OG1 3.09Å |
| 240 | W | 71.9 | Confident | 72.4 | Confident | 217 Ų | 217 | 99.3 Ų | 99.3 | 82% | 0.822 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -31.9 | 174.6 | -62.7 | 89.6 | 0 | 0 | 0 | 113.3 | S238 T243 T244 | S238-W240 PolarHBondContact O-N 3.25Å; W240-T243 WeakPolarHBondContact CA-OG1 3.38Å; W240-T243 PolarHBondContact O-OG1 3.47Å; W240-T244 WeakPolarHBondContact O-CB 3.27Å; W240-T244 WeakPolarHBondContact O-CG2 3.46Å; W240-T244 PolarHBondContact O-N 2.67Å; W240-T244 PolarHBondContact O-OG1 3.29Å |
| 241 | I | 81.5 | Confident | 73.7 | Confident | 106 Ų | 106 | 97.7 Ų | 97.7 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -76.2 | -39.7 | 179 | -63.7 | 155 | 0 | 0 | 0 | 109.9 | S238 G239 T244 T245 | S238-I241 WeakPolarHBondContact O-CA 3.33Å; S238-I241 WeakPolarHBondContact O-CB 3.45Å; S238-I241 PolarHBondContact O-N 3.2Å; G239-I241 VanDerWaalsContact C-N 3.31Å; G239-I241 PolarHBondContact O-N 3.13Å; I241-T244 VanDerWaalsContact CA-OG1 3.3Å; I241-T244 WeakPolarHBondContact CA-OG1 3.04Å; I241-T244 PolarHBondContact O-OG1 3.34Å; I241-T245 WeakPolarHBondContact O-CB 3.31Å; I241-T245 VanDerWaalsContact O-CG2 3.29Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 3.16Å; I241-T245 PolarHBondContact O-OG1 3.44Å |
| 242 | L | 78.1 | Confident | 75.4 | Confident | 94 Ų | 94 | 96.3 Ų | 96.3 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 175.1 | -69.3 | 173.2 | 0 | 0 | 0 | 112.2 | L234 S238 G239 T245 L246 | L234-L242 HydrophobicContact CB-CD1 4.42Å; S238-L242 PolarHBondContact O-N 2.87Å; G239-L242 PolarHBondContact O-N 3.13Å; L242-T245 WeakPolarHBondContact CA-OG1 3.45Å; L242-T245 PolarHBondContact O-OG1 3.05Å; L242-T245 VanDerWaalsContact O-OG1 3.05Å; L242-L246 VanDerWaalsContact O-CB 3.29Å; L242-L246 WeakPolarHBondContact O-CB 3.3Å; L242-L246 PolarHBondContact O-N 3.39Å |
| 243 | T | 81.4 | Confident | 76.8 | Confident | 80 Ų | 80 | 93.1 Ų | 93.1 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | G239 W240 L246 V247 | G239-T243 VanDerWaalsContact O-CG2 3.31Å; G239-T243 WeakPolarHBondContact O-CG2 3.44Å; G239-T243 PolarHBondContact O-N 3.31Å; G239-T243 PolarHBondContact O-OG1 3.09Å; W240-T243 WeakPolarHBondContact CA-OG1 3.38Å; W240-T243 PolarHBondContact O-OG1 3.47Å; T243-L246 PolarHBondContact O-N 3.49Å; T243-V247 WeakPolarHBondContact O-CB 3.44Å; T243-V247 WeakPolarHBondContact O-CG2 3.47Å; T243-V247 PolarHBondContact O-N 3.02Å |
| 244 | T | 84.5 | Confident | 78.3 | Confident | 69 Ų | 69 | 93 Ų | 93 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.4 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | W240 I241 V247 L248 | W240-T244 WeakPolarHBondContact O-CB 3.27Å; W240-T244 WeakPolarHBondContact O-CG2 3.46Å; W240-T244 PolarHBondContact O-N 2.67Å; W240-T244 PolarHBondContact O-OG1 3.29Å; I241-T244 VanDerWaalsContact CA-OG1 3.3Å; I241-T244 WeakPolarHBondContact CA-OG1 3.04Å; I241-T244 PolarHBondContact O-OG1 3.34Å; T244-V247 PolarHBondContact O-N 3.43Å; T244-L248 VanDerWaalsContact O-CB 3.28Å; T244-L248 WeakPolarHBondContact O-CB 3.42Å; T244-L248 WeakPolarHBondContact O-CG 3.4Å; T244-L248 PolarHBondContact O-N 3.47Å |
| 245 | T | 87.9 | Confident | 79.9 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.5 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | I241 L242 L248 S249 | I241-T245 WeakPolarHBondContact O-CB 3.31Å; I241-T245 VanDerWaalsContact O-CG2 3.29Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 3.16Å; I241-T245 PolarHBondContact O-OG1 3.44Å; L242-T245 WeakPolarHBondContact CA-OG1 3.45Å; L242-T245 PolarHBondContact O-OG1 3.05Å; L242-T245 VanDerWaalsContact O-OG1 3.05Å; T245-L248 PolarHBondContact O-N 3.27Å; T245-S249 WeakPolarHBondContact O-CB 3.28Å; T245-S249 PolarHBondContact O-N 2.87Å |
| 246 | L | 85.8 | Confident | 81.4 | Confident | 111 Ų | 111 | 99 Ų | 99 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -41.4 | 174.3 | -171.6 | 152.1 | 0 | 0 | 0 | 112 | L242 T243 S249 V250 | L242-L246 VanDerWaalsContact O-CB 3.29Å; L242-L246 WeakPolarHBondContact O-CB 3.3Å; L242-L246 PolarHBondContact O-N 3.39Å; T243-L246 PolarHBondContact O-N 3.49Å; L246-S249 PolarHBondContact O-N 3.34Å; L246-S249 PolarHBondContact O-OG 3.08Å; L246-V250 HydrophobicContact CD2-CG2 4.39Å; L246-V250 WeakPolarHBondContact O-CG2 3.29Å; L246-V250 PolarHBondContact O-N 3.3Å; L246-V250 VanDerWaalsContact O-N 3.07Å |
| 247 | V | 88.1 | Confident | 82.3 | Confident | 85 Ų | 85 | 95.8 Ų | 95.8 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | T243 T244 S249 V250 M251 | T243-V247 WeakPolarHBondContact O-CB 3.44Å; T243-V247 WeakPolarHBondContact O-CG2 3.47Å; T243-V247 PolarHBondContact O-N 3.02Å; T244-V247 PolarHBondContact O-N 3.43Å; V247-S249 VanDerWaalsContact C-N 3.33Å; V247-S249 PolarHBondContact O-N 3.16Å; V247-V250 PolarHBondContact O-N 2.85Å; V247-M251 HydrophobicContact CG1-CG 4.38Å; V247-M251 WeakPolarHBondContact O-CB 3.35Å; V247-M251 VanDerWaalsContact O-CG 3.3Å; V247-M251 WeakPolarHBondContact O-CG 3.49Å; V247-M251 PolarHBondContact O-N 2.96Å |
| 248 | L | 84.4 | Confident | 82.9 | Confident | 109 Ų | 109 | 92.5 Ų | 92.5 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 175.6 | -73.9 | 171.2 | 0 | 0 | 0 | 111.5 | T244 T245 M251 V252 | T244-L248 VanDerWaalsContact O-CB 3.28Å; T244-L248 WeakPolarHBondContact O-CB 3.42Å; T244-L248 WeakPolarHBondContact O-CG 3.4Å; T244-L248 PolarHBondContact O-N 3.47Å; T245-L248 PolarHBondContact O-N 3.27Å; L248-M251 PolarHBondContact O-N 3.02Å; L248-V252 WeakPolarHBondContact O-CB 3.25Å; L248-V252 VanDerWaalsContact O-CG2 3.23Å; L248-V252 WeakPolarHBondContact O-CG2 3.21Å; L248-V252 PolarHBondContact O-N 3.47Å |
| 249 | S | 90.3 | Very high | 83.6 | Confident | 59 Ų | 59 | 93 Ų | 93 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 176.7 | 75.6 | 0 | 0 | 0 | 0 | 111.8 | T245 L246 V247 V252 L253 | T245-S249 WeakPolarHBondContact O-CB 3.28Å; T245-S249 PolarHBondContact O-N 2.87Å; L246-S249 PolarHBondContact O-N 3.34Å; L246-S249 PolarHBondContact O-OG 3.08Å; V247-S249 VanDerWaalsContact C-N 3.33Å; V247-S249 PolarHBondContact O-N 3.16Å; S249-V252 PolarHBondContact O-N 3.38Å; S249-L253 WeakPolarHBondContact O-CB 3.29Å; S249-L253 WeakPolarHBondContact O-CG 3.39Å; S249-L253 PolarHBondContact O-N 2.94Å |
| 250 | V | 92.6 | Very high | 83.7 | Confident | 69 Ų | 69 | 95.5 Ų | 95.5 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | L246 V247 V252 L253 L254 | L246-V250 HydrophobicContact CD2-CG2 4.39Å; L246-V250 WeakPolarHBondContact O-CG2 3.29Å; L246-V250 PolarHBondContact O-N 3.3Å; L246-V250 VanDerWaalsContact O-N 3.07Å; V247-V250 PolarHBondContact O-N 2.85Å; V250-V252 VanDerWaalsContact C-N 3.33Å; V250-V252 PolarHBondContact O-N 2.99Å; V250-L253 PolarHBondContact O-N 3.02Å; V250-L254 HydrophobicContact CG1-CD1 4.06Å; V250-L254 HydrophobicContact CG1-CG 4.42Å; V250-L254 WeakPolarHBondContact O-CB 3.37Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.16Å; V250-L254 PolarHBondContact O-N 3.36Å |
| 251 | M | 86.7 | Confident | 83.8 | Confident | 115 Ų | 115 | 88.9 Ų | 88.9 | 57% | 0.567 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -37.9 | 176.7 | -75.7 | -63 | -61.4 | 0 | 0 | 112.5 | V247 L248 W255 | V247-M251 HydrophobicContact CG1-CG 4.38Å; V247-M251 WeakPolarHBondContact O-CB 3.35Å; V247-M251 VanDerWaalsContact O-CG 3.3Å; V247-M251 WeakPolarHBondContact O-CG 3.49Å; V247-M251 PolarHBondContact O-N 2.96Å; L248-M251 PolarHBondContact O-N 3.02Å; M251-W255 VanDerWaalsContact O-CB 3.3Å; M251-W255 WeakPolarHBondContact O-CB 3.45Å; M251-W255 PolarHBondContact O-N 3.37Å |
| 252 | V | 91.1 | Very high | 83.2 | Confident | 77 Ų | 77 | 88 Ų | 88 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | L248 S249 V250 L254 W255 I256 | L248-V252 WeakPolarHBondContact O-CB 3.25Å; L248-V252 VanDerWaalsContact O-CG2 3.23Å; L248-V252 WeakPolarHBondContact O-CG2 3.21Å; L248-V252 PolarHBondContact O-N 3.47Å; S249-V252 PolarHBondContact O-N 3.38Å; V250-V252 VanDerWaalsContact C-N 3.33Å; V250-V252 PolarHBondContact O-N 2.99Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.85Å; V252-W255 PolarHBondContact O-N 3Å; V252-I256 HydrophobicContact CG1-CD1 3.83Å; V252-I256 HydrophobicContact CG1-CG1 4.28Å; V252-I256 WeakPolarHBondContact O-CB 3.42Å; V252-I256 VanDerWaalsContact O-CG1 3.3Å; V252-I256 WeakPolarHBondContact O-CG1 3.45Å; V252-I256 PolarHBondContact O-N 2.99Å |
| 253 | L | 85.4 | Confident | 82.3 | Confident | 118 Ų | 118 | 88.3 Ų | 88.3 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 174.2 | -73.6 | 171.8 | 0 | 0 | 0 | 111.4 | S249 V250 I256 C257 | S249-L253 WeakPolarHBondContact O-CB 3.29Å; S249-L253 WeakPolarHBondContact O-CG 3.39Å; S249-L253 PolarHBondContact O-N 2.94Å; V250-L253 PolarHBondContact O-N 3.02Å; L253-I256 PolarHBondContact O-N 3.07Å; L253-C257 WeakPolarHBondContact O-CB 3.48Å; L253-C257 PolarHBondContact O-N 2.88Å |
| 254 | L | 86.6 | Confident | 80.6 | Confident | 96 Ų | 96 | 87.7 Ų | 87.7 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 173.7 | -72 | 172.8 | 0 | 0 | 0 | 111.7 | V250 V252 C257 C258 | V250-L254 HydrophobicContact CG1-CD1 4.06Å; V250-L254 HydrophobicContact CG1-CG 4.42Å; V250-L254 WeakPolarHBondContact O-CB 3.37Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.16Å; V250-L254 PolarHBondContact O-N 3.36Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.85Å; L254-C257 PolarHBondContact O-N 3.44Å; L254-C258 WeakPolarHBondContact O-CB 3.38Å; L254-C258 PolarHBondContact O-N 3.49Å; L254-C258 PolarHBondContact O-SG 3.09Å |
| 255 | W | 89.4 | Confident | 78.5 | Confident | 180 Ų | 180 | 89.8 Ų | 89.8 | 68% | 0.682 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -45.7 | 176.6 | -179.5 | 82.6 | 0 | 0 | 0 | 111.9 | M251 V252 C257 C258 A259 | M251-W255 VanDerWaalsContact O-CB 3.3Å; M251-W255 WeakPolarHBondContact O-CB 3.45Å; M251-W255 PolarHBondContact O-N 3.37Å; V252-W255 PolarHBondContact O-N 3Å; W255-C257 VanDerWaalsContact C-N 3.33Å; W255-C258 PolarHBondContact O-N 2.83Å; W255-A259 VanDerWaalsContact O-CB 3.25Å; W255-A259 WeakPolarHBondContact O-CB 3.3Å; W255-A259 PolarHBondContact O-N 2.8Å |
| 256 | I | 87 | Confident | 76.6 | Confident | 82 Ų | 82 | 94.1 Ų | 94.1 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.9 | -66.6 | 173.2 | 0 | 0 | 0 | 109.6 | V252 L253 C258 A259 T260 | V252-I256 HydrophobicContact CG1-CD1 3.83Å; V252-I256 HydrophobicContact CG1-CG1 4.28Å; V252-I256 WeakPolarHBondContact O-CB 3.42Å; V252-I256 VanDerWaalsContact O-CG1 3.3Å; V252-I256 WeakPolarHBondContact O-CG1 3.45Å; V252-I256 PolarHBondContact O-N 2.99Å; L253-I256 PolarHBondContact O-N 3.07Å; I256-C258 PolarHBondContact O-N 2.89Å; I256-A259 PolarHBondContact O-N 3.39Å; I256-T260 HydrophobicContact CG2-CG2 4.16Å; I256-T260 WeakPolarHBondContact O-CB 3.22Å; I256-T260 VanDerWaalsContact O-CG2 3.28Å; I256-T260 WeakPolarHBondContact O-CG2 3.42Å; I256-T260 PolarHBondContact O-N 3.37Å; I256-T260 PolarHBondContact O-OG1 3.24Å |
| 257 | C | 79.6 | Confident | 74.5 | Confident | 73 Ų | 73 | 96.5 Ų | 96.5 | 49% | 0.493 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 178.2 | -156.9 | 0 | 0 | 0 | 0 | 111.3 | L253 L254 W255 T260 V261 | L253-C257 WeakPolarHBondContact O-CB 3.48Å; L253-C257 PolarHBondContact O-N 2.88Å; L254-C257 PolarHBondContact O-N 3.44Å; W255-C257 VanDerWaalsContact C-N 3.33Å; C257-T260 WeakPolarHBondContact CA-OG1 3.27Å; C257-T260 PolarHBondContact O-N 2.91Å; C257-T260 PolarHBondContact O-OG1 3.22Å; C257-V261 VanDerWaalsContact O-CG2 3.29Å; C257-V261 WeakPolarHBondContact O-CG2 3.18Å; C257-V261 PolarHBondContact O-N 3.48Å |
| 258 | C | 74.9 | Confident | 72.2 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.7 | -40.6 | 175.7 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | L254 W255 I256 V261 A262 | L254-C258 WeakPolarHBondContact O-CB 3.38Å; L254-C258 PolarHBondContact O-N 3.49Å; L254-C258 PolarHBondContact O-SG 3.09Å; W255-C258 PolarHBondContact O-N 2.83Å; I256-C258 PolarHBondContact O-N 2.89Å; C258-V261 PolarHBondContact O-N 3.3Å; C258-A262 VanDerWaalsContact O-CB 3.31Å; C258-A262 WeakPolarHBondContact O-CB 3.48Å; C258-A262 PolarHBondContact O-N 3.28Å |
| 259 | A | 77.2 | Confident | 70.1 | Confident | 31 Ų | 31 | 102.1 Ų | 102.1 | 26% | 0.256 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -47.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | W255 I256 V261 A262 T263 | W255-A259 VanDerWaalsContact O-CB 3.25Å; W255-A259 WeakPolarHBondContact O-CB 3.3Å; W255-A259 PolarHBondContact O-N 2.8Å; I256-A259 PolarHBondContact O-N 3.39Å; A259-V261 VanDerWaalsContact C-N 3.29Å; A259-V261 PolarHBondContact O-N 3.07Å; A259-A262 CarbonylContact O-C 3.59Å; A259-A262 PolarHBondContact O-N 2.9Å; A259-T263 WeakPolarHBondContact O-CB 3.31Å; A259-T263 WeakPolarHBondContact O-CG2 3.37Å; A259-T263 PolarHBondContact O-N 3.05Å; A259-T263 PolarHBondContact O-OG1 3.01Å |
| 260 | T | 74.4 | Confident | 67.7 | Low | 74 Ų | 74 | 104 Ų | 104 | 45% | 0.454 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.1 | -30.3 | 178.1 | 54 | 0 | 0 | 0 | 0 | 113.4 | I256 C257 A264 | I256-T260 HydrophobicContact CG2-CG2 4.16Å; I256-T260 WeakPolarHBondContact O-CB 3.22Å; I256-T260 VanDerWaalsContact O-CG2 3.28Å; I256-T260 WeakPolarHBondContact O-CG2 3.42Å; I256-T260 PolarHBondContact O-N 3.37Å; I256-T260 PolarHBondContact O-OG1 3.24Å; C257-T260 WeakPolarHBondContact CA-OG1 3.27Å; C257-T260 PolarHBondContact O-N 2.91Å; C257-T260 PolarHBondContact O-OG1 3.22Å; T260-A264 WeakPolarHBondContact O-CA 3.22Å; T260-A264 WeakPolarHBondContact O-CB 3.46Å; T260-A264 PolarHBondContact O-N 3.38Å |
| 261 | V | 72.8 | Confident | 65.2 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 47% | 0.473 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.8 | -38.6 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | C257 C258 A259 | C257-V261 VanDerWaalsContact O-CG2 3.29Å; C257-V261 WeakPolarHBondContact O-CG2 3.18Å; C257-V261 PolarHBondContact O-N 3.48Å; C258-V261 PolarHBondContact O-N 3.3Å; A259-V261 VanDerWaalsContact C-N 3.29Å; A259-V261 PolarHBondContact O-N 3.07Å |
| 262 | A | 70 | Confident | 63.1 | Low | 87 Ų | 87 | 108.1 Ų | 108.1 | 72% | 0.719 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.5 | -26.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C258 A259 | C258-A262 VanDerWaalsContact O-CB 3.31Å; C258-A262 WeakPolarHBondContact O-CB 3.48Å; C258-A262 PolarHBondContact O-N 3.28Å; A259-A262 CarbonylContact O-C 3.59Å; A259-A262 PolarHBondContact O-N 2.9Å |
| 263 | T | 58.6 | Low | 60.8 | Low | 100 Ų | 100 | 110.8 Ų | 110.8 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -108.3 | 4.7 | 178.5 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | A259 V265 | A259-T263 WeakPolarHBondContact O-CB 3.31Å; A259-T263 WeakPolarHBondContact O-CG2 3.37Å; A259-T263 PolarHBondContact O-N 3.05Å; A259-T263 PolarHBondContact O-OG1 3.01Å; T263-V265 PolarHBondContact O-N 2.88Å |
| 264 | A | 45 | Very low | 59 | Low | 68 Ų | 68 | 113.1 Ų | 113.1 | 56% | 0.562 | 62% | 0.619 | S | S | * | * | trans | -67.8 | 84 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | T260 E266 | T260-A264 WeakPolarHBondContact O-CA 3.22Å; T260-A264 WeakPolarHBondContact O-CB 3.46Å; T260-A264 PolarHBondContact O-N 3.38Å; A264-E266 PolarHBondContact O-N 3.42Å | ||
| 265 | V | 41.7 | Very low | 57.2 | Low | 112 Ų | 112 | 112 Ų | 112 | 68% | 0.679 | 62% | 0.619 | S | S | * | * | trans | -35.2 | 131.3 | 162.4 | 169.9 | 0 | 0 | 0 | 0 | 107.6 | T263 Q267 | T263-V265 PolarHBondContact O-N 2.88Å; V265-Q267 HydrophobicContact CG1-CG 4.23Å; V265-Q267 PolarHBondContact O-N 2.94Å | ||
| 266 | E | 46.5 | Very low | 55.6 | Low | 167 Ų | 167 | 111.2 Ų | 111.2 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -58.7 | 69.5 | 176.7 | -65.2 | -149.4 | 167 | 0 | 0 | 112.3 | A264 | A264-E266 PolarHBondContact O-N 3.42Š|
| 267 | Q | 42.8 | Very low | 53.8 | Low | 161 Ų | 161 | 115.9 Ų | 115.9 | 75% | 0.752 | 64% | 0.64 | S | S | * | * | trans | -112.5 | 53.2 | 163.6 | -75.7 | -177.3 | -41.8 | 0 | 0 | 107.3 | V265 V269 | V265-Q267 HydrophobicContact CG1-CG 4.23Å; V265-Q267 PolarHBondContact O-N 2.94Å; Q267-V269 PolarHBondContact O-N 2.96Å | ||
| 268 | Y | 38.9 | Very low | 52.4 | Low | 195 Ų | 195 | 114.1 Ų | 114.1 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | trans | -73.4 | 76.2 | 152.8 | -150.7 | -89 | 0 | 0 | 0 | 106.6 | P270 | Y268-P270 WeakPolarHBondContact O-CD 3.43Š| ||
| 269 | V | 39.8 | Very low | 51.3 | Low | 116 Ų | 116 | 116.4 Ų | 116.4 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | trans | -57.9 | 119.4 | 156.2 | -178.6 | 0 | 0 | 0 | 0 | 103.7 | Q267 S271 | Q267-V269 PolarHBondContact O-N 2.96Å; V269-S271 PolarHBondContact O-N 3.17Å | ||
| 270 | P | 40.8 | Very low | 50.3 | Low | 99 Ų | 99 | 120.7 Ų | 120.7 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | trans | -49.2 | 119.1 | 175.4 | -22.1 | 31.2 | 0 | 0 | 0 | 106.1 | Y268 E272 | Y268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-E272 VanDerWaalsContact C-N 3.26Å; P270-E272 PolarHBondContact O-N 2.7Å | ||
| 271 | S | 39.3 | Very low | 49.3 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | trans | -58.8 | 103 | 175.4 | 46.7 | 0 | 0 | 0 | 0 | 106 | V269 K273 | V269-S271 PolarHBondContact O-N 3.17Å; S271-K273 VanDerWaalsContact C-N 3.27Å; S271-K273 PolarHBondContact O-N 3.01Å | ||
| 272 | E | 44.3 | Very low | 48.4 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | trans | -55.6 | 103.4 | 168.8 | -168.8 | 173.8 | 172.4 | 0 | 0 | 104.3 | P270 L274 | P270-E272 VanDerWaalsContact C-N 3.26Å; P270-E272 PolarHBondContact O-N 2.7Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 2.98Å | ||
| 273 | K | 41 | Very low | 47.5 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 58% | 0.578 | 66% | 0.659 | S | S | * | * | trans | -59.2 | 100.6 | -178.7 | -65.2 | -172.9 | -178.3 | -177.6 | 0 | 106.2 | S271 S275 E281 | S271-K273 VanDerWaalsContact C-N 3.27Å; S271-K273 PolarHBondContact O-N 3.01Å; K273-S275 PolarHBondContact O-N 2.67Å; K273-E281 IonicContact NZ-OE1 2.77Å; K273-E281 PolarHBondContact NZ-OE1 3.42Å; K273-E281 IonicContact NZ-OE2 3.98Å; K273-E281 PolarHBondContact NZ-OE2 3.39Å | ||
| 274 | L | 48.1 | Very low | 47 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 87% | 0.874 | 66% | 0.661 | S | S | * | * | trans | -62.6 | 81 | 145.6 | -88.4 | 103.6 | 0 | 0 | 0 | 106.2 | E272 I276 | E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 2.98Å; L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 3.2Å | ||
| 275 | S | 49 | Very low | 47.2 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | trans | -79.6 | 81.3 | -176 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | K273 Y277 G278 | K273-S275 PolarHBondContact O-N 2.67Å; S275-Y277 PolarHBondContact O-N 3.16Å; S275-G278 PolarHBondContact O-N 3.08Å | ||
| 276 | I | 56.6 | Low | 47.5 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 84% | 0.841 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 45.3 | 154.8 | -52.9 | 178.2 | 0 | 0 | 0 | 108.5 | L274 | L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 3.2Å |
| 277 | Y | 49.3 | Very low | 47.2 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.8 | 40.8 | 163.6 | -133.7 | -99.3 | 0 | 0 | 0 | 110.4 | S275 D279 L280 | S275-Y277 PolarHBondContact O-N 3.16Å; Y277-D279 VanDerWaalsContact C-N 3.26Å; Y277-D279 PolarHBondContact O-N 2.88Å; Y277-L280 HydrophobicContact CD1-CB 4.07Å; Y277-L280 HydrophobicContact CE1-CB 3.93Å; Y277-L280 HydrophobicContact CE1-CD1 4.32Å; Y277-L280 HydrophobicContact CE1-CD2 4.26Å; Y277-L280 HydrophobicContact CE1-CG 4.4Å |
| 278 | G | 49.7 | Very low | 47.3 | Very low | 36 Ų | 36 | 131.6 Ų | 131.6 | 37% | 0.371 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | S275 | S275-G278 PolarHBondContact O-N 3.08Š|
| 279 | D | 52.6 | Low | 47.1 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -86.7 | -18.9 | -167.9 | -153.9 | 23.1 | 0 | 0 | 0 | 113.8 | Y277 | Y277-D279 VanDerWaalsContact C-N 3.26Å; Y277-D279 PolarHBondContact O-N 2.88Å |
| 280 | L | 55.3 | Low | 47.1 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 63% | 0.634 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.6 | -28.8 | 179.5 | -144.9 | 83.1 | 0 | 0 | 0 | 112.8 | Y277 | Y277-L280 HydrophobicContact CD1-CB 4.07Å; Y277-L280 HydrophobicContact CE1-CB 3.93Å; Y277-L280 HydrophobicContact CE1-CD1 4.32Å; Y277-L280 HydrophobicContact CE1-CD2 4.26Å; Y277-L280 HydrophobicContact CE1-CG 4.4Å |
| 281 | E | 53.8 | Low | 46.8 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -76.9 | -29.6 | -179.9 | -67.8 | -174.6 | 172.8 | 0 | 0 | 111.8 | K273 M283 N284 E285 | K273-E281 IonicContact NZ-OE1 2.77Å; K273-E281 PolarHBondContact NZ-OE1 3.42Å; K273-E281 IonicContact NZ-OE2 3.98Å; K273-E281 PolarHBondContact NZ-OE2 3.39Å; E281-M283 VanDerWaalsContact C-N 3.34Å; E281-M283 PolarHBondContact O-N 3.01Å; E281-N284 PolarHBondContact O-N 3.17Å; E281-E285 WeakPolarHBondContact O-CG 3.28Å; E281-E285 PolarHBondContact O-N 3.15Å |
| 282 | F | 52.4 | Low | 46.6 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67 | -32 | 179.1 | -161.3 | -101.1 | 0 | 0 | 0 | 113.3 | N284 Q286 | F282-N284 VanDerWaalsContact C-N 3.34Å; F282-Q286 VanDerWaalsContact CE1-NE2 3.35Å; F282-Q286 PolarHBondContact O-N 3.28Å |
| 283 | M | 52.5 | Low | 46.5 | Very low | 110 Ų | 110 | 134 Ų | 134 | 54% | 0.542 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -76.3 | -20.2 | 177.9 | -71.5 | -70 | 98.1 | 0 | 0 | 113.8 | E281 | E281-M283 VanDerWaalsContact C-N 3.34Å; E281-M283 PolarHBondContact O-N 3.01Å |
| 284 | N | 48.1 | Very low | 46.3 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -86.3 | -40.1 | 177.5 | -159.4 | 11.6 | 0 | 0 | 0 | 111.3 | E281 F282 Q286 K287 | E281-N284 PolarHBondContact O-N 3.17Å; F282-N284 VanDerWaalsContact C-N 3.34Å; N284-Q286 VanDerWaalsContact C-N 3.27Å; N284-Q286 PolarHBondContact O-N 3.17Å; N284-K287 PolarHBondContact O-N 2.58Å |
| 285 | E | 49.4 | Very low | 45.7 | Very low | 133 Ų | 133 | 130 Ų | 130 | 62% | 0.621 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -61.5 | -33.2 | 174.4 | -68.8 | -81.2 | 138.7 | 0 | 0 | 112.4 | E281 K287 | E281-E285 WeakPolarHBondContact O-CG 3.28Å; E281-E285 PolarHBondContact O-N 3.15Å; E285-K287 PolarHBondContact O-N 3.02Å |
| 286 | Q | 46.8 | Very low | 45 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -16.4 | -179.5 | -136 | 171.7 | 68.7 | 0 | 0 | 113.8 | F282 N284 | F282-Q286 VanDerWaalsContact CE1-NE2 3.35Å; F282-Q286 PolarHBondContact O-N 3.28Å; N284-Q286 VanDerWaalsContact C-N 3.27Å; N284-Q286 PolarHBondContact O-N 3.17Å |
| 287 | K | 40.7 | Very low | 43.9 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -8.2 | -177.8 | -123 | -179.8 | -175.6 | 178.7 | 0 | 114.5 | N284 E285 | N284-K287 PolarHBondContact O-N 2.58Å; E285-K287 PolarHBondContact O-N 3.02Å |
| 288 | L | 45.2 | Very low | 43.2 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -10.5 | -172.6 | -129.7 | 79.4 | 0 | 0 | 0 | 116.6 | K290 | L288-K290 PolarHBondContact O-N 3.03Š|
| 289 | N | 34.7 | Very low | 42.4 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 57% | 0.572 | 70% | 0.704 | S | S | * | * | trans | -96.1 | 90.3 | 176.1 | -84.1 | -34.8 | 0 | 0 | 0 | 112.5 | Y291 | N289-Y291 VanDerWaalsContact C-N 3.34Å; N289-Y291 HydrophobicContact CB-CD2 4.4Å; N289-Y291 HydrophobicContact CB-CE2 4.12Å; N289-Y291 WeakPolarHBondContact O-CD2 3.01Å; N289-Y291 PolarHBondContact O-N 2.92Å | ||
| 290 | K | 40.5 | Very low | 41.5 | Very low | 206 Ų | 206 | 137.2 Ų | 137.2 | 90% | 0.896 | 71% | 0.711 | S | S | * | * | trans | -70.5 | 92.8 | 159.9 | -169.9 | 162.1 | -171.1 | 164 | 0 | 108.2 | L288 | L288-K290 PolarHBondContact O-N 3.03Š| ||
| 291 | Y | 33.3 | Very low | 40.3 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -59.9 | 137.5 | 177.3 | -79.6 | -89.2 | 0 | 0 | 0 | 111.9 | N289 | N289-Y291 VanDerWaalsContact C-N 3.34Å; N289-Y291 HydrophobicContact CB-CD2 4.4Å; N289-Y291 HydrophobicContact CB-CE2 4.12Å; N289-Y291 WeakPolarHBondContact O-CD2 3.01Å; N289-Y291 PolarHBondContact O-N 2.92Å | ||
| 292 | P | 35.1 | Very low | 39.5 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | trans | -75.1 | 138.1 | 165.6 | 31.4 | -30.3 | 0 | 0 | 0 | 109.6 | S294 | P292-S294 PolarHBondContact O-N 3.24Š| ||
| 293 | A | 43.1 | Very low | 38.4 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 88% | 0.884 | 74% | 0.736 | S | S | * | * | trans | -72.9 | 111.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 294 | S | 37 | Very low | 37.5 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -161.2 | 139.5 | 154 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | P292 | P292-S294 PolarHBondContact O-N 3.24Š| ||
| 295 | S | 35 | Very low | 36.7 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 79.6 | 59.4 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 117.4 | V297 | S295-V297 VanDerWaalsContact C-N 3.35Å; S295-V297 PolarHBondContact O-N 3.06Å; S295-V297 VanDerWaalsContact O-N 3.1Å | ||
| 296 | L | 34.3 | Very low | 36.1 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -71 | 91.7 | 153.6 | -130.3 | 163.5 | 0 | 0 | 0 | 108 | V298 | L296-V298 HydrophobicContact CD2-CG2 3.82Å; L296-V298 PolarHBondContact O-N 3.07Å | ||
| 297 | V | 34.2 | Very low | 35.7 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | trans | -81.8 | 98 | 166.5 | 177 | 0 | 0 | 0 | 0 | 107.2 | S295 V299 | S295-V297 VanDerWaalsContact C-N 3.35Å; S295-V297 PolarHBondContact O-N 3.06Å; S295-V297 VanDerWaalsContact O-N 3.1Å; V297-V299 HydrophobicContact CG1-CG2 4.14Å; V297-V299 PolarHBondContact O-N 3.23Å; V297-V299 VanDerWaalsContact O-N 3.17Å | ||
| 298 | V | 33.7 | Very low | 35.6 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 101.7 | 167.3 | 176 | 0 | 0 | 0 | 0 | 107.6 | L296 R300 | L296-V298 HydrophobicContact CD2-CG2 3.82Å; L296-V298 PolarHBondContact O-N 3.07Å; V298-R300 PolarHBondContact O-N 2.77Å; V298-R300 VanDerWaalsContact O-N 3.16Å | ||
| 299 | V | 33.2 | Very low | 35.3 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -75.9 | 98.7 | 166 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | V297 S301 | V297-V299 HydrophobicContact CG1-CG2 4.14Å; V297-V299 PolarHBondContact O-N 3.23Å; V297-V299 VanDerWaalsContact O-N 3.17Å; V299-S301 PolarHBondContact O-N 3Å | ||
| 300 | R | 33.8 | Very low | 36.3 | Very low | 233 Ų | 233 | 145 Ų | 145 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -82.3 | 94.2 | 166.9 | -165.7 | 179.8 | -166.4 | 129.6 | 1.3 | 107.6 | V298 K302 | V298-R300 PolarHBondContact O-N 2.77Å; V298-R300 VanDerWaalsContact O-N 3.16Å; R300-K302 PolarHBondContact O-N 3.08Å | ||
| 301 | S | 30.1 | Very low | 36.8 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -69.6 | 123.9 | 163.7 | 54.1 | 0 | 0 | 0 | 0 | 108.2 | V299 | V299-S301 PolarHBondContact O-N 3Š| ||
| 302 | K | 36.6 | Very low | 37.7 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | -92.7 | 110.8 | 163.7 | -170.9 | -173.2 | -178.3 | -170.4 | 0 | 106.4 | R300 | R300-K302 PolarHBondContact O-N 3.08Š| ||
| 303 | T | 29 | Very low | 38.2 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -139.2 | 126.9 | 155.7 | 39.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 304 | E | 34.2 | Very low | 38.9 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -48 | 142.9 | 173.2 | -80.2 | 147.4 | 98.1 | 0 | 0 | 113.1 | ||||
| 305 | D | 31.8 | Very low | 39.3 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 52.2 | 104.4 | 144.4 | -52 | -28.2 | 0 | 0 | 0 | 119.7 | E307 | D305-E307 PolarHBondContact O-N 2.89Š| ||
| 306 | H | 35.8 | Very low | 40.2 | Very low | 202 Ų | 202 | 147.8 Ų | 147.8 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -76 | 106.4 | 154.5 | -89.4 | -93.6 | 0 | 0 | 0 | 109.8 | ||||
| 307 | E | 39.4 | Very low | 40.6 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84 | 153.8 | 140 | -91 | -176 | 119.1 | 0 | 0 | 109.5 | D305 | D305-E307 PolarHBondContact O-N 2.89Š|
| 308 | E | 38.4 | Very low | 41.6 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 152.2 | -157.9 | -72.3 | 164.3 | 126.9 | 0 | 0 | 117.1 | ||
| 309 | A | 38.9 | Very low | 42.4 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 133.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 310 | G | 54.5 | Low | 43.3 | Very low | 63 Ų | 63 | 152.4 Ų | 152.4 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 152.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 311 | P | 52 | Low | 43.6 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 147.7 | -168.4 | 30.2 | -33.8 | 0 | 0 | 0 | 113.8 | ||
| 312 | L | 51.2 | Low | 44.1 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 139.5 | 178.1 | -81.2 | 78.7 | 0 | 0 | 0 | 112.3 | ||
| 313 | P | 46.1 | Very low | 44.3 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 84% | 0.838 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 143.1 | 173.1 | 27.6 | -32 | 0 | 0 | 0 | 112.5 | ||
| 314 | T | 57.2 | Low | 45.1 | Very low | 134 Ų | 134 | 155.2 Ų | 155.2 | 82% | 0.822 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140.3 | -173.3 | 42.6 | 0 | 0 | 0 | 0 | 114.1 | V316 | T314-V316 PolarHBondContact O-N 3.15Š|
| 315 | K | 45.7 | Very low | 45.6 | Very low | 204 Ų | 204 | 155.1 Ų | 155.1 | 89% | 0.887 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 125.5 | 173.7 | -68.6 | -172.6 | 176.8 | -178.2 | 0 | 111.6 | ||
| 316 | V | 54.8 | Low | 46.4 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 82% | 0.824 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 128.8 | 167.1 | -116.5 | 0 | 0 | 0 | 0 | 109.2 | T314 | T314-V316 PolarHBondContact O-N 3.15Š|
| 317 | N | 41.2 | Very low | 47 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 85% | 0.845 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 127.3 | 178.8 | -93 | -75.2 | 0 | 0 | 0 | 111 | A319 | N317-A319 PolarHBondContact O-N 3.39Å; N317-A319 VanDerWaalsContact O-N 3.12Å |
| 318 | L | 56.7 | Low | 47.5 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 95% | 0.953 | 86% | 0.858 | S | S | * | * | trans | -79.6 | 72.2 | 173.3 | -78.4 | 82.5 | 0 | 0 | 0 | 111.7 | ||||
| 319 | A | 50.4 | Low | 48.1 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 59% | 0.587 | 86% | 0.855 | S | S | * | * | trans | -135.8 | 117.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N317 | N317-A319 PolarHBondContact O-N 3.39Å; N317-A319 VanDerWaalsContact O-N 3.12Å | ||
| 320 | H | 52.4 | Low | 48.8 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 89% | 0.889 | 85% | 0.854 | S | S | * | * | trans | 92.4 | 84.5 | -179.7 | -53.2 | 81.2 | 0 | 0 | 0 | 115.3 | ||||
| 321 | S | 39.5 | Very low | 48.3 | Very low | 127 Ų | 127 | 157.4 Ų | 157.4 | 89% | 0.888 | 87% | 0.87 | S | S | * | * | trans | -136.4 | 79.8 | 142.5 | -145.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 322 | E | 40.8 | Very low | 48 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 85% | 0.85 | 87% | 0.871 | S | S | * | * | trans | -95.6 | 137.7 | 150.4 | -88.2 | -172.1 | 152.4 | 0 | 0 | 107.3 | ||||
| 323 | I | 39.9 | Very low | 47.7 | Very low | 237 Ų | 237 | 159.3 Ų | 159.3 | 100% | 1.215 | 87% | 0.873 | S | S | * | * | trans | 88.7 | 0 | 171.4 | -62.1 | 149.7 | 0 | 0 | 0 | 115.9 |
Retrieved 323 of 323 residues in 72 ms
(Link to these results)