| 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 | 42.1 | Very low | 36.9 | Very low | 250 Ų | 250 | 126.8 Ų | 126.8 | 100% | 1.232 | 85% | 0.854 | S | S | * | * | 0 | 91.9 | 0 | -72.9 | 166.8 | 170.1 | 0 | 0 | 108.4 | |||||
| 2 | N | 42.5 | Very low | 36.6 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 89% | 0.893 | 86% | 0.858 | S | S | * | * | trans | -171.1 | 122 | 147.1 | -137.9 | 5 | 0 | 0 | 0 | 109.1 | ||||
| 3 | T | 39.4 | Very low | 36.2 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 85% | 0.847 | 85% | 0.853 | S | S | * | * | trans | -139.2 | 138.2 | 179.2 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | G | 36.6 | Very low | 35.6 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | 89.4 | 119 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 5 | G | 37.9 | Very low | 35.4 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | cis | 89.9 | 136.6 | 43.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | S | 40.4 | Very low | 35.2 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 84% | 0.844 | S | S | * | * | cis | -169.7 | 155.1 | -0.6 | -151 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | S | 36.9 | Very low | 34.9 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 83% | 0.834 | S | S | * | * | trans | 57.3 | 117.7 | 143.2 | -39.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 8 | A | 32.2 | Very low | 34.7 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | -73.5 | 139.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 9 | S | 34.6 | Very low | 34.5 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -150.3 | 115.6 | 157.7 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 10 | T | 28.7 | Very low | 34.2 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -57.6 | 137.6 | 171.2 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 11 | S | 35.1 | Very low | 34.2 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -144.3 | 116.2 | 163.4 | -59.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 12 | Q | 32.5 | Very low | 33.4 | Very low | 192 Ų | 192 | 124.7 Ų | 124.7 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -71 | 137.1 | 166.1 | -71.1 | 172.4 | -10 | 0 | 0 | 109 | ||||
| 13 | S | 32 | Very low | 32.7 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -150.3 | 130.6 | 145.4 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 14 | S | 28 | Very low | 32.1 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 131.9 | 176.8 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 15 | T | 32 | Very low | 32.1 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -135.7 | 113.7 | 150.3 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 16 | S | 32.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -40.1 | 149 | 155.2 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 17 | S | 30.9 | Very low | 31.6 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 111.4 | 44.9 | 163.7 | -162.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 18 | D | 30.9 | Very low | 32 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -113.3 | 64.7 | 151 | -66.4 | -31.4 | 0 | 0 | 0 | 107.6 | Y22 | D18-Y22 PolarHBondContact O-OH 3.44Š| ||
| 19 | A | 30.6 | Very low | 32.6 | Very low | 57 Ų | 57 | 130 Ų | 130 | 47% | 0.471 | 77% | 0.767 | S | S | . | * | 31.3 | 111 | 64.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 20 | N | 29.1 | Very low | 33.7 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 89.7 | 49.8 | 160.7 | -49.5 | -22.8 | 0 | 0 | 0 | 119.7 | ||
| 21 | H | 33.6 | Very low | 35.2 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -158.3 | -18.7 | 144.4 | -136.7 | 56 | 0 | 0 | 0 | 119.2 | ||
| 22 | Y | 25.3 | Very low | 36.5 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -136.3 | 18 | -165.2 | 41.1 | -97.3 | 0 | 0 | 0 | 115.5 | D18 | D18-Y22 PolarHBondContact O-OH 3.44Š|
| 23 | K | 28.8 | Very low | 38 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -149.5 | 92 | 174.1 | -74 | -176.5 | 178.3 | 170 | 0 | 110.8 | ||||
| 24 | T | 27 | Very low | 39.9 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 85% | 0.847 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -171.1 | 117.3 | 140.1 | -50.7 | 0 | 0 | 0 | 0 | 108.2 | ||
| 25 | C | 36.5 | Very low | 42 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 66% | 0.655 | 69% | 0.686 | S | S | * | * | trans | 50.5 | 112.3 | 171.5 | -65.5 | 0 | 0 | 0 | 0 | 117.9 | D27 | C25-D27 HydrophobicContact CB-CB 3.86Š| ||
| 26 | A | 31.1 | Very low | 43.8 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 98% | 0.975 | 68% | 0.675 | S | S | * | * | cis | 46.8 | 28.6 | 14.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 27 | D | 35.9 | Very low | 46.1 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 53% | 0.529 | 66% | 0.66 | S | S | . | * | trans | -146.3 | 58.6 | 169.9 | -150.6 | 5.6 | 0 | 0 | 0 | 110.9 | C25 S29 | C25-D27 HydrophobicContact CB-CB 3.86Å; D27-S29 PolarHBondContact O-N 3.38Å; D27-S29 PolarHBondContact OD1-OG 3.12Å | ||
| 28 | D | 45.1 | Very low | 48.6 | Very low | 179 Ų | 179 | 122.3 Ų | 122.3 | 96% | 0.957 | 65% | 0.653 | S | S | * | * | trans | -85.6 | 25.4 | 162.8 | -85 | -26.4 | 0 | 0 | 0 | 111 | ||||
| 29 | S | 45.8 | Very low | 51.3 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 57% | 0.566 | 63% | 0.633 | S | S | * | * | trans | -102 | 79.9 | 160.7 | 44.2 | 0 | 0 | 0 | 0 | 108.2 | D27 D31 | D27-S29 PolarHBondContact O-N 3.38Å; D27-S29 PolarHBondContact OD1-OG 3.12Å; S29-D31 VanDerWaalsContact C-N 3.3Å; S29-D31 PolarHBondContact O-N 3.3Å | ||
| 30 | V | 57.5 | Low | 54.1 | Low | 106 Ų | 106 | 121.7 Ų | 121.7 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | trans | -53.7 | 109.2 | 151.6 | -177.6 | 0 | 0 | 0 | 0 | 105 | V32 V35 | V30-V32 PolarHBondContact O-N 3.41Å; V30-V35 HydrophobicContact CG1-CG2 3.56Å | ||
| 31 | D | 60.4 | Low | 56.9 | Low | 83 Ų | 83 | 119 Ų | 119 | 44% | 0.444 | 62% | 0.622 | S | S | . | * | trans | -57.2 | 121.1 | -171.3 | 178.7 | 1.5 | 0 | 0 | 0 | 108 | S29 F33 E34 V35 | S29-D31 VanDerWaalsContact C-N 3.3Å; S29-D31 PolarHBondContact O-N 3.3Å; D31-F33 PolarHBondContact O-N 3.15Å; D31-F33 VanDerWaalsContact O-N 3.11Å; D31-F33 WeakPolarHBondContact OD1-CB 3.4Å; D31-F33 PolarHBondContact OD1-N 3.01Å; D31-E34 HydrophobicContact CB-CB 4.13Å; D31-E34 WeakPolarHBondContact O-CA 3.31Å; D31-E34 WeakPolarHBondContact O-CB 3.43Å; D31-E34 PolarHBondContact O-N 3.45Å; D31-V35 PolarHBondContact O-N 3.46Å; D31-V35 VanDerWaalsContact O-N 3.08Å | ||
| 32 | V | 62.1 | Low | 59.7 | Low | 94 Ų | 94 | 112.6 Ų | 112.6 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -51.6 | -37.2 | 178.3 | 171.5 | 0 | 0 | 0 | 0 | 109.3 | V30 E34 V35 W36 | V30-V32 PolarHBondContact O-N 3.41Å; V32-E34 PolarHBondContact O-N 3.06Å; V32-V35 PolarHBondContact O-N 3.15Å; V32-W36 VanDerWaalsContact CG1-CD1 3.41Å; V32-W36 VanDerWaalsContact CG1-NE1 3.31Å; V32-W36 PolarHBondContact O-N 3.34Å |
| 33 | F | 62.7 | Low | 62.8 | Low | 167 Ų | 167 | 112.7 Ų | 112.7 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.5 | -39.7 | 174.4 | -82.8 | -86.2 | 0 | 0 | 0 | 113.4 | D31 W36 S37 | D31-F33 PolarHBondContact O-N 3.15Å; D31-F33 VanDerWaalsContact O-N 3.11Å; D31-F33 WeakPolarHBondContact OD1-CB 3.4Å; D31-F33 PolarHBondContact OD1-N 3.01Å; F33-W36 PolarHBondContact O-N 3.1Å; F33-S37 WeakPolarHBondContact O-CB 3.25Å; F33-S37 PolarHBondContact O-N 3.01Å |
| 34 | E | 72 | Confident | 65.9 | Low | 93 Ų | 93 | 111 Ų | 111 | 44% | 0.435 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.3 | -45.7 | 177.3 | -147.1 | -168.6 | 153.1 | 0 | 0 | 110.2 | D31 V32 W36 S37 Y38 | D31-E34 HydrophobicContact CB-CB 4.13Å; D31-E34 WeakPolarHBondContact O-CA 3.31Å; D31-E34 WeakPolarHBondContact O-CB 3.43Å; D31-E34 PolarHBondContact O-N 3.45Å; V32-E34 PolarHBondContact O-N 3.06Å; E34-W36 PolarHBondContact O-N 3.4Å; E34-S37 WeakPolarHBondContact O-CB 3.4Å; E34-S37 PolarHBondContact O-N 2.94Å; E34-Y38 HydrophobicContact CB-CE2 4.36Å; E34-Y38 HydrophobicContact CG-CD2 4.19Å; E34-Y38 HydrophobicContact CG-CE2 3.54Å; E34-Y38 WeakPolarHBondContact O-CD2 3.39Å; E34-Y38 PolarHBondContact O-N 3.31Å; E34-Y38 VanDerWaalsContact OE1-CE2 3.25Å; E34-Y38 WeakPolarHBondContact OE1-CE2 3.39Å; E34-Y38 PolarHBondContact OE1-OH 3.42Å |
| 35 | V | 71.8 | Confident | 69.1 | Low | 63 Ų | 63 | 106.7 Ų | 106.7 | 38% | 0.382 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59 | -46 | 175.1 | -178 | 0 | 0 | 0 | 0 | 111.5 | V30 D31 V32 S37 Y38 L39 | V30-V35 HydrophobicContact CG1-CG2 3.56Å; D31-V35 PolarHBondContact O-N 3.46Å; D31-V35 VanDerWaalsContact O-N 3.08Å; V32-V35 PolarHBondContact O-N 3.15Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.83Å; V35-Y38 PolarHBondContact O-N 3.43Å; V35-L39 HydrophobicContact CG1-CD1 4.27Å; V35-L39 WeakPolarHBondContact O-CG 3.34Å; V35-L39 PolarHBondContact O-N 2.92Å |
| 36 | W | 70.8 | Confident | 71.7 | Confident | 154 Ų | 154 | 103.2 Ų | 103.2 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 176.9 | -79.8 | 112 | 0 | 0 | 0 | 112.2 | V32 F33 E34 L39 Q40 | V32-W36 VanDerWaalsContact CG1-CD1 3.41Å; V32-W36 VanDerWaalsContact CG1-NE1 3.31Å; V32-W36 PolarHBondContact O-N 3.34Å; F33-W36 PolarHBondContact O-N 3.1Å; E34-W36 PolarHBondContact O-N 3.4Å; W36-L39 PolarHBondContact O-N 3.16Å; W36-Q40 PolarHBondContact O-N 3.35Å |
| 37 | S | 80.3 | Confident | 74.7 | Confident | 70 Ų | 70 | 101.6 Ų | 101.6 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 176.8 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | F33 E34 V35 L39 Q40 L41 | F33-S37 WeakPolarHBondContact O-CB 3.25Å; F33-S37 PolarHBondContact O-N 3.01Å; E34-S37 WeakPolarHBondContact O-CB 3.4Å; E34-S37 PolarHBondContact O-N 2.94Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.83Å; S37-L39 PolarHBondContact O-N 2.94Å; S37-Q40 PolarHBondContact O-N 3.08Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; S37-L41 PolarHBondContact O-N 3.36Å; S37-L41 VanDerWaalsContact O-N 3.1Å |
| 38 | Y | 82.8 | Confident | 77.4 | Confident | 133 Ų | 133 | 98.6 Ų | 98.6 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.2 | -73.8 | -64.1 | 0 | 0 | 0 | 112.2 | E34 V35 Q40 L41 V42 | E34-Y38 HydrophobicContact CB-CE2 4.36Å; E34-Y38 HydrophobicContact CG-CD2 4.19Å; E34-Y38 HydrophobicContact CG-CE2 3.54Å; E34-Y38 WeakPolarHBondContact O-CD2 3.39Å; E34-Y38 PolarHBondContact O-N 3.31Å; E34-Y38 VanDerWaalsContact OE1-CE2 3.25Å; E34-Y38 WeakPolarHBondContact OE1-CE2 3.39Å; E34-Y38 PolarHBondContact OE1-OH 3.42Å; V35-Y38 PolarHBondContact O-N 3.43Å; Y38-Q40 VanDerWaalsContact C-N 3.27Å; Y38-Q40 PolarHBondContact O-N 3.17Å; Y38-L41 PolarHBondContact O-N 3.42Å; Y38-L41 VanDerWaalsContact O-N 3.15Å; Y38-V42 WeakPolarHBondContact O-CG2 3.01Å; Y38-V42 PolarHBondContact O-N 2.94Å |
| 39 | L | 87.5 | Confident | 79.6 | Confident | 65 Ų | 65 | 96.2 Ų | 96.2 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -31.8 | 178.2 | -69.6 | 177.6 | 0 | 0 | 0 | 112.4 | V35 W36 S37 R43 | V35-L39 HydrophobicContact CG1-CD1 4.27Å; V35-L39 WeakPolarHBondContact O-CG 3.34Å; V35-L39 PolarHBondContact O-N 2.92Å; W36-L39 PolarHBondContact O-N 3.16Å; S37-L39 PolarHBondContact O-N 2.94Å; L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 2.91Å |
| 40 | Q | 89 | Confident | 81.9 | Confident | 121 Ų | 121 | 95.4 Ų | 95.4 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.8 | -43.1 | 172 | -75.8 | -147.2 | -9.8 | 0 | 0 | 112.4 | W36 S37 Y38 V42 R43 Q44 | W36-Q40 PolarHBondContact O-N 3.35Å; S37-Q40 PolarHBondContact O-N 3.08Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; Y38-Q40 VanDerWaalsContact C-N 3.27Å; Y38-Q40 PolarHBondContact O-N 3.17Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 3.49Å; Q40-R43 WeakPolarHBondContact O-CB 3.42Å; Q40-R43 PolarHBondContact O-N 2.89Å; Q40-Q44 WeakPolarHBondContact O-CG 3.34Å; Q40-Q44 PolarHBondContact O-N 3.06Å |
| 41 | L | 89.3 | Confident | 83.7 | Confident | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 176 | -67 | 173.5 | 0 | 0 | 0 | 111.3 | S37 Y38 R43 Q44 G45 | S37-L41 PolarHBondContact O-N 3.36Å; S37-L41 VanDerWaalsContact O-N 3.1Å; Y38-L41 PolarHBondContact O-N 3.42Å; Y38-L41 VanDerWaalsContact O-N 3.15Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.83Å; L41-Q44 PolarHBondContact O-N 3.11Å; L41-Q44 VanDerWaalsContact O-N 3.15Å; L41-G45 PolarHBondContact O-N 3.39Å |
| 42 | V | 91.5 | Very high | 85.3 | Confident | 45 Ų | 45 | 92.6 Ų | 92.6 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -42 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | Y38 Q40 Q44 G45 I46 V54 L58 | Y38-V42 WeakPolarHBondContact O-CG2 3.01Å; Y38-V42 PolarHBondContact O-N 2.94Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 PolarHBondContact O-N 3.49Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 2.9Å; V42-G45 WeakPolarHBondContact O-CA 3.47Å; V42-G45 PolarHBondContact O-N 3.43Å; V42-I46 HydrophobicContact CG1-CD1 4.11Å; V42-I46 HydrophobicContact CG1-CG1 4.37Å; V42-I46 HydrophobicContact CG2-CD1 4.38Å; V42-I46 HydrophobicContact CG2-CG1 4.35Å; V42-V54 HydrophobicContact CG2-CG1 4.46Å; V42-L58 HydrophobicContact CG1-CD1 4.16Å; V42-L58 HydrophobicContact CG2-CD1 4.16Å |
| 43 | R | 91.7 | Very high | 86.8 | Confident | 179 Ų | 179 | 93.3 Ų | 93.3 | 68% | 0.675 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.1 | -29.1 | 176.7 | -76.3 | 179 | 178.4 | 118.1 | -2.2 | 113.5 | L39 Q40 L41 G45 | L39-R43 WeakPolarHBondContact O-CG 3.29Å; L39-R43 PolarHBondContact O-N 2.91Å; Q40-R43 WeakPolarHBondContact O-CB 3.42Å; Q40-R43 PolarHBondContact O-N 2.89Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 2.83Å; R43-G45 PolarHBondContact O-N 3.26Å |
| 44 | Q | 93.7 | Very high | 88.2 | Confident | 149 Ų | 149 | 87 Ų | 87 | 70% | 0.696 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -75.5 | -11.4 | 173.4 | -67 | 175.1 | 22.6 | 0 | 0 | 112.7 | Q40 L41 V42 | Q40-Q44 WeakPolarHBondContact O-CG 3.34Å; Q40-Q44 PolarHBondContact O-N 3.06Å; L41-Q44 PolarHBondContact O-N 3.11Å; L41-Q44 VanDerWaalsContact O-N 3.15Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 2.9Å |
| 45 | G | 92.9 | Very high | 89.3 | Confident | 47 Ų | 47 | 86.4 Ų | 86.4 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | trans | 107.4 | 136.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L41 V42 R43 | L41-G45 PolarHBondContact O-N 3.39Å; V42-G45 WeakPolarHBondContact O-CA 3.47Å; V42-G45 PolarHBondContact O-N 3.43Å; R43-G45 PolarHBondContact O-N 3.26Å | ||
| 46 | I | 92.8 | Very high | 90.4 | Very high | 24 Ų | 24 | 84.7 Ų | 84.7 | 12% | 0.123 | 44% | 0.439 | C | S | . | . | trans | -87.8 | 124 | 179.3 | -57.3 | 162.4 | 0 | 0 | 0 | 109.1 | V42 V50 R51 V54 L58 | V42-I46 HydrophobicContact CG1-CD1 4.11Å; V42-I46 HydrophobicContact CG1-CG1 4.37Å; V42-I46 HydrophobicContact CG2-CD1 4.38Å; V42-I46 HydrophobicContact CG2-CG1 4.35Å; I46-V50 HydrophobicContact CG2-CG2 3.82Å; I46-R51 HydrophobicContact CB-CG 4.01Å; I46-R51 HydrophobicContact CG2-CB 4.39Å; I46-R51 HydrophobicContact CG2-CG 3.69Å; I46-R51 PolarHBondContact O-NE 2.84Å; I46-R51 PolarHBondContact O-NH2 2.98Å; I46-V54 HydrophobicContact CD1-CB 4.21Å; I46-V54 HydrophobicContact CD1-CG1 3.51Å; I46-V54 HydrophobicContact CG1-CG1 4.13Å; I46-V54 HydrophobicContact CG2-CB 4.11Å; I46-V54 HydrophobicContact CG2-CG1 4.37Å; I46-V54 HydrophobicContact CG2-CG2 4.13Å; I46-L58 HydrophobicContact CD1-CD1 4.33Å | ||
| 47 | P | 93.4 | Very high | 91.4 | Very high | 85 Ų | 85 | 83 Ų | 83 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | trans | -57.5 | 139.1 | 175 | -23.9 | 33.4 | 0 | 0 | 0 | 111.9 | P49 V50 R51 | P47-P49 VanDerWaalsContact C-CD 3.49Å; P47-V50 HydrophobicContact CB-CG2 4.17Å; P47-V50 HydrophobicContact CG-CG2 4.38Å; P47-V50 VanDerWaalsContact O-CG2 3.31Å; P47-V50 WeakPolarHBondContact O-CG2 3.48Å; P47-V50 PolarHBondContact O-N 3.16Å; P47-V50 VanDerWaalsContact O-N 3.12Å; P47-R51 PolarHBondContact O-N 3.33Å | ||
| 48 | G | 92 | Very high | 92 | Very high | 36 Ų | 36 | 82.9 Ų | 82.9 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -45.3 | -50.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V50 R51 | G48-V50 PolarHBondContact O-N 2.9Å; G48-V50 VanDerWaalsContact O-N 3.16Å; G48-R51 PolarHBondContact O-N 3.4Å |
| 49 | P | 92.5 | Very high | 92.5 | Very high | 128 Ų | 128 | 76.8 Ų | 76.8 | 83% | 0.831 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -62.6 | -23.3 | -175.4 | -26.2 | 35.9 | 0 | 0 | 0 | 115.5 | P47 | P47-P49 VanDerWaalsContact C-CD 3.49Š|
| 50 | V | 93.2 | Very high | 92.8 | Very high | 64 Ų | 64 | 78 Ų | 78 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -106.3 | -1.3 | -176.7 | -61 | 0 | 0 | 0 | 0 | 113 | I46 P47 G48 A52 L53 V54 | I46-V50 HydrophobicContact CG2-CG2 3.82Å; P47-V50 HydrophobicContact CB-CG2 4.17Å; P47-V50 HydrophobicContact CG-CG2 4.38Å; P47-V50 VanDerWaalsContact O-CG2 3.31Å; P47-V50 WeakPolarHBondContact O-CG2 3.48Å; P47-V50 PolarHBondContact O-N 3.16Å; P47-V50 VanDerWaalsContact O-N 3.12Å; G48-V50 PolarHBondContact O-N 2.9Å; G48-V50 VanDerWaalsContact O-N 3.16Å; V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.06Å; V50-L53 PolarHBondContact O-N 3.18Å; V50-V54 HydrophobicContact CB-CG2 4.43Å; V50-V54 HydrophobicContact CG2-CG2 4.39Å; V50-V54 WeakPolarHBondContact O-CG2 3.37Å; V50-V54 PolarHBondContact O-N 3.31Å |
| 51 | R | 95.1 | Very high | 92.9 | Very high | 106 Ų | 106 | 72.9 Ų | 72.9 | 40% | 0.4 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.1 | -44.4 | -178.5 | -75.6 | -179.4 | -172.7 | 160.1 | -0.3 | 112.8 | I46 P47 G48 L53 V54 W55 L138 | I46-R51 HydrophobicContact CB-CG 4.01Å; I46-R51 HydrophobicContact CG2-CB 4.39Å; I46-R51 HydrophobicContact CG2-CG 3.69Å; I46-R51 PolarHBondContact O-NE 2.84Å; I46-R51 PolarHBondContact O-NH2 2.98Å; P47-R51 PolarHBondContact O-N 3.33Å; G48-R51 PolarHBondContact O-N 3.4Å; R51-L53 VanDerWaalsContact C-N 3.33Å; R51-L53 PolarHBondContact O-N 3.02Å; R51-V54 PolarHBondContact O-N 3.34Å; R51-W55 VanDerWaalsContact O-CB 3.29Å; R51-W55 WeakPolarHBondContact O-CB 3.27Å; R51-W55 VanDerWaalsContact O-CG 3.23Å; R51-W55 PolarHBondContact O-N 3.33Å; R51-L138 HydrophobicContact CB-CD1 4.19Å; R51-L138 HydrophobicContact CB-CD2 4.36Å |
| 52 | A | 93.8 | Very high | 93 | Very high | 24 Ų | 24 | 72.4 Ų | 72.4 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.6 | -49.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V50 Q56 L138 | V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.06Å; A52-Q56 VanDerWaalsContact O-CG 3.3Å; A52-Q56 WeakPolarHBondContact O-CG 3.18Å; A52-Q56 PolarHBondContact O-N 3.49Å; A52-Q56 PolarHBondContact O-NE2 3.34Å; A52-L138 HydrophobicContact CB-CB 4.26Å; A52-L138 WeakPolarHBondContact CB-O 3.42Å |
| 53 | L | 93.3 | Very high | 93.1 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 57% | 0.571 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.1 | -49.8 | 178.3 | 178.7 | 62.9 | 0 | 0 | 0 | 111.6 | V50 R51 W55 Q56 L57 | V50-L53 PolarHBondContact O-N 3.18Å; R51-L53 VanDerWaalsContact C-N 3.33Å; R51-L53 PolarHBondContact O-N 3.02Å; L53-W55 VanDerWaalsContact C-N 3.33Å; L53-W55 PolarHBondContact O-N 3.34Å; L53-Q56 PolarHBondContact O-N 3.41Å; L53-L57 HydrophobicContact CD1-CD1 4.17Å; L53-L57 HydrophobicContact CD1-CG 4.4Å; L53-L57 HydrophobicContact CG-CD1 4.02Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 2.84Å |
| 54 | V | 93.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | -176.2 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | V42 I46 V50 R51 L57 L58 | V42-V54 HydrophobicContact CG2-CG1 4.46Å; I46-V54 HydrophobicContact CD1-CB 4.21Å; I46-V54 HydrophobicContact CD1-CG1 3.51Å; I46-V54 HydrophobicContact CG1-CG1 4.13Å; I46-V54 HydrophobicContact CG2-CB 4.11Å; I46-V54 HydrophobicContact CG2-CG1 4.37Å; I46-V54 HydrophobicContact CG2-CG2 4.13Å; V50-V54 HydrophobicContact CB-CG2 4.43Å; V50-V54 HydrophobicContact CG2-CG2 4.39Å; V50-V54 WeakPolarHBondContact O-CG2 3.37Å; V50-V54 PolarHBondContact O-N 3.31Å; R51-V54 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.4Å; V54-L58 HydrophobicContact CG1-CD1 3.78Å; V54-L58 HydrophobicContact CG1-CG 4.07Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.97Å |
| 55 | W | 95 | Very high | 93.3 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 31% | 0.311 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 178.4 | -71.8 | 8 | 0 | 0 | 0 | 112.3 | R51 L53 L58 S59 L135 L138 M139 | R51-W55 VanDerWaalsContact O-CB 3.29Å; R51-W55 WeakPolarHBondContact O-CB 3.27Å; R51-W55 VanDerWaalsContact O-CG 3.23Å; R51-W55 PolarHBondContact O-N 3.33Å; L53-W55 VanDerWaalsContact C-N 3.33Å; L53-W55 PolarHBondContact O-N 3.34Å; W55-L58 PolarHBondContact O-N 2.94Å; W55-S59 WeakPolarHBondContact O-CB 3.19Å; W55-S59 PolarHBondContact O-N 2.88Å; W55-S59 PolarHBondContact O-OG 3.41Å; W55-L135 HydrophobicContact CE3-CD2 3.94Å; W55-L135 HydrophobicContact CZ3-CD2 4.11Å; W55-L138 HydrophobicContact CD2-CD1 4.23Å; W55-L138 HydrophobicContact CE3-CD1 3.6Å; W55-L138 HydrophobicContact CH2-CD1 3.63Å; W55-L138 HydrophobicContact CZ2-CD1 4.24Å; W55-L138 HydrophobicContact CZ3-CD1 3.27Å; W55-M139 HydrophobicContact CE3-CE 4.47Å |
| 56 | Q | 94.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 64 Ų | 64 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 173.3 | -71.5 | 177.6 | 59.4 | 0 | 0 | 110.9 | A52 L53 S59 S60 A61 H63 M139 E143 V147 | A52-Q56 VanDerWaalsContact O-CG 3.3Å; A52-Q56 WeakPolarHBondContact O-CG 3.18Å; A52-Q56 PolarHBondContact O-N 3.49Å; A52-Q56 PolarHBondContact O-NE2 3.34Å; L53-Q56 PolarHBondContact O-N 3.41Å; Q56-S59 PolarHBondContact O-N 2.8Å; Q56-S59 PolarHBondContact O-OG 3.14Å; Q56-S60 PolarHBondContact O-N 2.95Å; Q56-A61 PolarHBondContact O-N 3.32Å; Q56-H63 PolarHBondContact OE1-CE1 2.98Å; Q56-H63 PolarHBondContact OE1-NE2 3.24Å; Q56-M139 HydrophobicContact CG-CE 4.49Å; Q56-M139 HydrophobicContact CG-SD 4.18Å; Q56-E143 PolarHBondContact NE2-OE2 3Å; Q56-E143 PolarHBondContact OE1-OE2 3.18Å; Q56-V147 HydrophobicContact CB-CG2 4.4Å; Q56-V147 HydrophobicContact CG-CG2 3.68Å |
| 57 | L | 92.5 | Very high | 93.5 | Very high | 118 Ų | 118 | 67.5 Ų | 67.5 | 62% | 0.618 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.7 | -49.3 | 177 | -71 | 171.4 | 0 | 0 | 0 | 112.7 | L53 V54 S59 S60 | L53-L57 HydrophobicContact CD1-CD1 4.17Å; L53-L57 HydrophobicContact CD1-CG 4.4Å; L53-L57 HydrophobicContact CG-CD1 4.02Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 2.84Å; V54-L57 PolarHBondContact O-N 3.4Å; L57-S59 VanDerWaalsContact C-N 3.26Å; L57-S59 PolarHBondContact O-N 3.49Å; L57-S60 PolarHBondContact O-N 3.39Å; L57-S60 VanDerWaalsContact O-N 3.09Å |
| 58 | L | 92.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.356 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | -179.9 | -75.3 | 174.8 | 0 | 0 | 0 | 111.9 | V42 I46 V54 W55 S60 Y155 | V42-L58 HydrophobicContact CG1-CD1 4.16Å; V42-L58 HydrophobicContact CG2-CD1 4.16Å; I46-L58 HydrophobicContact CD1-CD1 4.33Å; V54-L58 HydrophobicContact CG1-CD1 3.78Å; V54-L58 HydrophobicContact CG1-CG 4.07Å; V54-L58 WeakPolarHBondContact O-CB 3.32Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.38Å; V54-L58 PolarHBondContact O-N 2.97Å; W55-L58 PolarHBondContact O-N 2.94Å; L58-S60 PolarHBondContact O-N 3.27Å; L58-Y155 PolarHBondContact O-OH 3.02Å |
| 59 | S | 93.3 | Very high | 94 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.3 | -12 | 178.9 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | W55 Q56 L57 A61 K150 | W55-S59 WeakPolarHBondContact O-CB 3.19Å; W55-S59 PolarHBondContact O-N 2.88Å; W55-S59 PolarHBondContact O-OG 3.41Å; Q56-S59 PolarHBondContact O-N 2.8Å; Q56-S59 PolarHBondContact O-OG 3.14Å; L57-S59 VanDerWaalsContact C-N 3.26Å; L57-S59 PolarHBondContact O-N 3.49Å; S59-A61 VanDerWaalsContact C-N 3.26Å; S59-A61 PolarHBondContact O-N 3.4Å; S59-A61 WeakPolarHBondContact OG-CB 3.48Å; S59-A61 PolarHBondContact OG-N 3.31Å; S59-K150 WeakPolarHBondContact O-CD 3.44Å; S59-K150 VanDerWaalsContact O-CG 3.29Å; S59-K150 WeakPolarHBondContact O-CG 3.21Å |
| 60 | S | 92.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 61.8 Ų | 61.8 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.3 | -169.9 | -54.1 | 0 | 0 | 0 | 0 | 112.6 | Q56 L57 L58 D62 K150 | Q56-S60 PolarHBondContact O-N 2.95Å; L57-S60 PolarHBondContact O-N 3.39Å; L57-S60 VanDerWaalsContact O-N 3.09Å; L58-S60 PolarHBondContact O-N 3.27Å; S60-D62 PolarHBondContact O-N 3.4Å; S60-K150 WeakPolarHBondContact O-CE 3.08Å |
| 61 | A | 92.3 | Very high | 94.4 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | trans | -61.5 | 125.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q56 S59 H63 A146 V147 K150 | Q56-A61 PolarHBondContact O-N 3.32Å; S59-A61 VanDerWaalsContact C-N 3.26Å; S59-A61 PolarHBondContact O-N 3.4Å; S59-A61 WeakPolarHBondContact OG-CB 3.48Å; S59-A61 PolarHBondContact OG-N 3.31Å; A61-H63 PolarHBondContact O-CD2 2.54Å; A61-H63 VanDerWaalsContact O-CD2 3.31Å; A61-H63 PolarHBondContact O-N 2.88Å; A61-A146 HydrophobicContact CB-CB 4.07Å; A61-V147 HydrophobicContact CB-CG2 4.23Å; A61-K150 HydrophobicContact CB-CG 4.45Å | ||
| 62 | D | 91.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 61.7 Ų | 61.7 | 46% | 0.46 | 33% | 0.334 | S | S | . | . | trans | -84.4 | 91.1 | 170.9 | -178.1 | -10.6 | 0 | 0 | 0 | 109.1 | S60 D64 N65 A66 | S60-D62 PolarHBondContact O-N 3.4Å; D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 3.27Å; D62-D64 PolarHBondContact OD1-N 3.35Å; D62-N65 HydrophobicContact CB-CB 4.41Å; D62-N65 PolarHBondContact OD1-N 3.33Å; D62-N65 VanDerWaalsContact OD1-N 3.09Å; D62-N65 VanDerWaalsContact OD2-CB 3.29Å; D62-N65 WeakPolarHBondContact OD2-CB 3.3Å; D62-A66 WeakPolarHBondContact O-CB 3.3Å; D62-A66 PolarHBondContact O-N 3.09Å; D62-A66 VanDerWaalsContact O-N 3.1Å | ||
| 63 | H | 92.6 | Very high | 94.7 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 22% | 0.218 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -32 | -175.9 | -64.8 | -70.4 | 0 | 0 | 0 | 113.1 | Q56 A61 R67 | Q56-H63 PolarHBondContact OE1-CE1 2.98Å; Q56-H63 PolarHBondContact OE1-NE2 3.24Å; A61-H63 PolarHBondContact O-CD2 2.54Å; A61-H63 VanDerWaalsContact O-CD2 3.31Å; A61-H63 PolarHBondContact O-N 2.88Å; H63-R67 VanDerWaalsContact O-CB 3.3Å; H63-R67 WeakPolarHBondContact O-CB 3.27Å; H63-R67 WeakPolarHBondContact O-CG 3.1Å; H63-R67 PolarHBondContact O-N 3.13Å |
| 64 | D | 93.6 | Very high | 94.9 | Very high | 115 Ų | 115 | 58.8 Ų | 58.8 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.2 | -46.3 | -175 | -70.2 | -24.6 | 0 | 0 | 0 | 110.7 | D62 R67 C68 | D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 3.27Å; D62-D64 PolarHBondContact OD1-N 3.35Å; D64-R67 PolarHBondContact O-N 3.18Å; D64-R67 IonicContact OD1-NH1 3.77Å; D64-C68 PolarHBondContact O-N 3.21Å; D64-C68 PolarHBondContact O-SG 2.83Å |
| 65 | N | 95.4 | Very high | 95 | Very high | 79 Ų | 79 | 67.5 Ų | 67.5 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.9 | -177.5 | 50.4 | 0 | 0 | 0 | 111.5 | D62 R67 C68 L69 | D62-N65 HydrophobicContact CB-CB 4.41Å; D62-N65 PolarHBondContact OD1-N 3.33Å; D62-N65 VanDerWaalsContact OD1-N 3.09Å; D62-N65 VanDerWaalsContact OD2-CB 3.29Å; D62-N65 WeakPolarHBondContact OD2-CB 3.3Å; N65-R67 VanDerWaalsContact C-N 3.34Å; N65-R67 PolarHBondContact O-N 3Å; N65-C68 PolarHBondContact O-N 3.13Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.38Å |
| 66 | A | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | D62 L69 Y70 F145 A146 L149 | D62-A66 WeakPolarHBondContact O-CB 3.3Å; D62-A66 PolarHBondContact O-N 3.09Å; D62-A66 VanDerWaalsContact O-N 3.1Å; A66-L69 PolarHBondContact O-N 2.98Å; A66-Y70 WeakPolarHBondContact O-CB 3.38Å; A66-Y70 PolarHBondContact O-N 3.3Å; A66-F145 HydrophobicContact CB-CD1 4.2Å; A66-A146 HydrophobicContact CB-CB 3.43Å; A66-A146 VanDerWaalsContact CB-CB 3.43Å; A66-L149 HydrophobicContact CB-CD1 4.4Å |
| 67 | R | 95.5 | Very high | 95.3 | Very high | 98 Ų | 98 | 69 Ų | 69 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.4 | -81.2 | 179.7 | -177.8 | 131 | 4.2 | 112.6 | H63 D64 N65 Y70 A71 E142 | H63-R67 VanDerWaalsContact O-CB 3.3Å; H63-R67 WeakPolarHBondContact O-CB 3.27Å; H63-R67 WeakPolarHBondContact O-CG 3.1Å; H63-R67 PolarHBondContact O-N 3.13Å; D64-R67 PolarHBondContact O-N 3.18Å; D64-R67 IonicContact OD1-NH1 3.77Å; N65-R67 VanDerWaalsContact C-N 3.34Å; N65-R67 PolarHBondContact O-N 3Å; R67-Y70 PolarHBondContact O-N 2.9Å; R67-A71 WeakPolarHBondContact O-CB 3.45Å; R67-A71 PolarHBondContact O-N 3.16Å; R67-E142 WeakPolarHBondContact CD-OE2 3.36Å; R67-E142 HydrophobicContact CG-CB 4.15Å; R67-E142 HydrophobicContact CG-CG 4.41Å; R67-E142 WeakPolarHBondContact CG-OE2 3.48Å; R67-E142 IonicContact NE-OE2 2.85Å; R67-E142 PolarHBondContact NE-OE2 3.42Å; R67-E142 VanDerWaalsContact NE-OE2 3.1Å |
| 68 | C | 96.7 | Very high | 95.6 | Very high | 91 Ų | 91 | 63.9 Ų | 63.9 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.9 | -50.1 | 178.6 | -67 | 0 | 0 | 0 | 0 | 111.2 | D64 N65 Y70 A71 E72 | D64-C68 PolarHBondContact O-N 3.21Å; D64-C68 PolarHBondContact O-SG 2.83Å; N65-C68 PolarHBondContact O-N 3.13Å; C68-Y70 PolarHBondContact O-N 3.44Å; C68-A71 PolarHBondContact O-N 3.18Å; C68-E72 PolarHBondContact O-N 3.24Å |
| 69 | L | 97.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 66.1 Ų | 66.1 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.4 | -70.6 | 170.8 | 0 | 0 | 0 | 111.9 | N65 A66 A71 E72 F73 Y118 F145 L149 | N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 3.38Å; A66-L69 PolarHBondContact O-N 2.98Å; L69-A71 PolarHBondContact O-N 3.39Å; L69-E72 WeakPolarHBondContact O-CB 3.28Å; L69-E72 PolarHBondContact O-N 3.03Å; L69-F73 HydrophobicContact CB-CD2 4.24Å; L69-F73 HydrophobicContact CB-CE2 3.89Å; L69-F73 HydrophobicContact CD2-CE2 4.11Å; L69-F73 HydrophobicContact CD2-CZ 4.24Å; L69-F73 WeakPolarHBondContact O-CD2 3.46Å; L69-F73 WeakPolarHBondContact O-CG 3.5Å; L69-F73 PolarHBondContact O-N 3.35Å; L69-Y118 HydrophobicContact CD1-CD2 4.01Å; L69-Y118 HydrophobicContact CD1-CE2 3.71Å; L69-F145 HydrophobicContact CB-CE1 4.17Å; L69-L149 HydrophobicContact CD1-CD1 4.41Å |
| 70 | Y | 98.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 179.9 | -169.7 | -101.8 | 0 | 0 | 0 | 112.1 | A66 R67 C68 E72 F73 I74 N110 V111 A114 E141 E142 F145 | A66-Y70 WeakPolarHBondContact O-CB 3.38Å; A66-Y70 PolarHBondContact O-N 3.3Å; R67-Y70 PolarHBondContact O-N 2.9Å; C68-Y70 PolarHBondContact O-N 3.44Å; Y70-E72 PolarHBondContact O-N 3.33Å; Y70-F73 PolarHBondContact O-N 2.87Å; Y70-I74 HydrophobicContact CE1-CD1 4.15Å; Y70-I74 WeakPolarHBondContact O-CB 3.36Å; Y70-I74 PolarHBondContact O-N 3.24Å; Y70-N110 VanDerWaalsContact OH-CB 3.27Å; Y70-N110 WeakPolarHBondContact OH-CB 3.39Å; Y70-V111 HydrophobicContact CE2-CG2 4.05Å; Y70-A114 HydrophobicContact CD2-CB 3.66Å; Y70-A114 HydrophobicContact CE2-CB 3.77Å; Y70-E141 HydrophobicContact CE1-CG 3.8Å; Y70-E141 WeakPolarHBondContact OH-CB 3.37Å; Y70-E141 VanDerWaalsContact OH-CG 3.29Å; Y70-E141 WeakPolarHBondContact OH-CG 3.35Å; Y70-E141 PolarHBondContact OH-OE1 2.97Å; Y70-E141 PolarHBondContact OH-OE2 3.47Å; Y70-E141 VanDerWaalsContact OH-OE2 3.06Å; Y70-E142 HydrophobicContact CD1-CG 3.95Å; Y70-E142 HydrophobicContact CE1-CG 4.29Å; Y70-F145 HydrophobicContact CD2-CB 3.79Å; Y70-F145 AromaticContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD2 4.07Å; Y70-F145 HydrophobicContact CD2-CE1 4.24Å; Y70-F145 AromaticContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CE2-CB 4.11Å; Y70-F145 HydrophobicContact CE2-CG 4.22Å; Y70-F145 HydrophobicContact CG-CD1 4.17Å; Y70-F145 HydrophobicContact CG-CG 4.45Å |
| 71 | A | 97.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 66 Ų | 66 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -30.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R67 C68 L69 | R67-A71 WeakPolarHBondContact O-CB 3.45Å; R67-A71 PolarHBondContact O-N 3.16Å; C68-A71 PolarHBondContact O-N 3.18Å; L69-A71 PolarHBondContact O-N 3.39Å |
| 72 | E | 97.3 | Very high | 96.6 | Very high | 126 Ų | 126 | 74 Ų | 74 | 59% | 0.589 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.1 | -55.4 | 171.7 | -174.4 | -176.6 | 159.6 | 0 | 0 | 111.2 | C68 L69 Y70 I74 R75 | C68-E72 PolarHBondContact O-N 3.24Å; L69-E72 WeakPolarHBondContact O-CB 3.28Å; L69-E72 PolarHBondContact O-N 3.03Å; Y70-E72 PolarHBondContact O-N 3.33Å; E72-I74 VanDerWaalsContact C-N 3.32Å; E72-I74 PolarHBondContact O-N 3.1Å; E72-R75 PolarHBondContact O-N 2.94Å; E72-R75 VanDerWaalsContact O-N 3.13Å |
| 73 | F | 98 | Very high | 96.9 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.3 | -28.4 | -172.5 | -64.1 | -45 | 0 | 0 | 0 | 114.1 | L69 Y70 R75 A76 A114 L117 Y118 F145 | L69-F73 HydrophobicContact CB-CD2 4.24Å; L69-F73 HydrophobicContact CB-CE2 3.89Å; L69-F73 HydrophobicContact CD2-CE2 4.11Å; L69-F73 HydrophobicContact CD2-CZ 4.24Å; L69-F73 WeakPolarHBondContact O-CD2 3.46Å; L69-F73 WeakPolarHBondContact O-CG 3.5Å; L69-F73 PolarHBondContact O-N 3.35Å; Y70-F73 PolarHBondContact O-N 2.87Å; F73-R75 PolarHBondContact O-N 2.97Å; F73-A76 PolarHBondContact O-N 3.46Å; F73-A76 VanDerWaalsContact O-N 3.13Å; F73-A114 HydrophobicContact CB-CB 3.89Å; F73-A114 HydrophobicContact CD2-CB 4.48Å; F73-L117 HydrophobicContact CB-CB 4.31Å; F73-L117 HydrophobicContact CB-CD1 3.98Å; F73-L117 HydrophobicContact CD1-CB 3.52Å; F73-L117 HydrophobicContact CD1-CD1 4.13Å; F73-L117 HydrophobicContact CD1-CG 4.47Å; F73-L117 HydrophobicContact CE1-CB 3.93Å; F73-L117 HydrophobicContact CG-CB 3.93Å; F73-L117 HydrophobicContact CG-CD1 4.39Å; F73-Y118 AromaticContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CG 4.3Å; F73-Y118 HydrophobicContact CZ-CD2 4.28Å; F73-F145 HydrophobicContact CD2-CZ 4.18Å; F73-F145 HydrophobicContact CE2-CZ 4.45Å |
| 74 | I | 96.5 | Very high | 97.2 | Very high | 46 Ų | 46 | 68.9 Ų | 68.9 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.7 | 176.5 | -154.7 | 76 | 0 | 0 | 0 | 112 | Y70 E72 N110 K113 | Y70-I74 HydrophobicContact CE1-CD1 4.15Å; Y70-I74 WeakPolarHBondContact O-CB 3.36Å; Y70-I74 PolarHBondContact O-N 3.24Å; E72-I74 VanDerWaalsContact C-N 3.32Å; E72-I74 PolarHBondContact O-N 3.1Å; I74-N110 HydrophobicContact CD1-CB 3.36Å; I74-K113 PolarHBondContact O-NZ 3.17Å |
| 75 | R | 96.7 | Very high | 97.3 | Very high | 218 Ų | 218 | 69.4 Ų | 69.4 | 82% | 0.823 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -18.6 | 179 | -60.7 | 175.5 | -176.8 | 169.5 | 2.7 | 113 | E72 F73 | E72-R75 PolarHBondContact O-N 2.94Å; E72-R75 VanDerWaalsContact O-N 3.13Å; F73-R75 PolarHBondContact O-N 2.97Å |
| 76 | A | 97.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 72.4 Ų | 72.4 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -85.2 | 157.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F73 K113 L117 | F73-A76 PolarHBondContact O-N 3.46Å; F73-A76 VanDerWaalsContact O-N 3.13Å; A76-K113 WeakPolarHBondContact O-CE 3.46Å; A76-K113 PolarHBondContact O-NZ 3.36Å; A76-L117 HydrophobicContact CB-CD1 3.74Å |
| 77 | S | 97.7 | Very high | 97.4 | Very high | 99 Ų | 99 | 72.6 Ų | 72.6 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | trans | -92 | 137.9 | 172.7 | 60.4 | 0 | 0 | 0 | 0 | 111 | E81 | S77-E81 WeakPolarHBondContact CA-OE1 3.4Š| ||
| 78 | S | 98.2 | Very high | 97.5 | Very high | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | trans | -106.5 | 140.9 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 112 | H80 E81 S116 | S78-H80 PolarHBondContact O-N 3.25Å; S78-H80 VanDerWaalsContact O-N 3.14Å; S78-H80 PolarHBondContact OG-N 2.93Å; S78-H80 VanDerWaalsContact OG-N 3.1Å; S78-E81 PolarHBondContact N-OE1 3.45Å; S78-E81 WeakPolarHBondContact O-CG 3.49Å; S78-E81 PolarHBondContact O-N 3.46Å; S78-S116 WeakPolarHBondContact CB-OG 3.42Å; S78-S116 PolarHBondContact OG-OG 3.04Å | ||
| 79 | P | 98 | Very high | 97.4 | Very high | 116 Ų | 116 | 67.9 Ų | 67.9 | 75% | 0.753 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.1 | 171.1 | 27.9 | -34.2 | 0 | 0 | 0 | 112.5 | ||
| 80 | H | 98.2 | Very high | 97.2 | Very high | 56 Ų | 56 | 72 Ų | 72 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -4.1 | -176.6 | -59 | -73.9 | 0 | 0 | 0 | 114.4 | S78 K82 A83 I84 Y124 | S78-H80 PolarHBondContact O-N 3.25Å; S78-H80 VanDerWaalsContact O-N 3.14Å; S78-H80 PolarHBondContact OG-N 2.93Å; S78-H80 VanDerWaalsContact OG-N 3.1Å; H80-K82 PolarHBondContact O-N 3.45Å; H80-K82 VanDerWaalsContact O-N 3.09Å; H80-A83 WeakPolarHBondContact O-CB 3.41Å; H80-A83 PolarHBondContact O-N 2.85Å; H80-I84 HydrophobicContact CB-CD1 3.99Å; H80-I84 HydrophobicContact CB-CG1 4.32Å; H80-I84 WeakPolarHBondContact O-CG1 3.47Å; H80-I84 PolarHBondContact O-N 3.25Å; H80-Y124 HydrophobicContact CB-CG 4.44Å |
| 81 | E | 98.4 | Very high | 97.1 | Very high | 37 Ų | 37 | 71.9 Ų | 71.9 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.6 | -37 | -172.3 | -72.2 | -175.5 | -157.3 | 0 | 0 | 114 | S77 S78 I84 R85 F109 K113 | S77-E81 WeakPolarHBondContact CA-OE1 3.4Å; S78-E81 PolarHBondContact N-OE1 3.45Å; S78-E81 WeakPolarHBondContact O-CG 3.49Å; S78-E81 PolarHBondContact O-N 3.46Å; E81-I84 PolarHBondContact O-N 3.47Å; E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 WeakPolarHBondContact O-CG 3.46Å; E81-R85 PolarHBondContact O-N 3.22Å; E81-R85 IonicContact OE2-CZ 2.92Å; E81-R85 IonicContact OE2-NH2 3.77Å; E81-R85 PolarHBondContact OE2-NH2 3.33Å; E81-F109 HydrophobicContact CB-CE2 4.01Å; E81-F109 HydrophobicContact CB-CZ 3.99Å; E81-F109 HydrophobicContact CG-CE2 4.11Å; E81-F109 HydrophobicContact CG-CZ 3.67Å; E81-K113 HydrophobicContact CG-CD 4.06Å; E81-K113 HydrophobicContact CG-CG 4.28Å; E81-K113 WeakPolarHBondContact OE1-CD 3.43Å |
| 82 | K | 97.9 | Very high | 97 | Very high | 181 Ų | 181 | 72.4 Ų | 72.4 | 79% | 0.787 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 177.5 | -174.1 | 177.8 | 179.8 | 179.5 | 0 | 112 | H80 R86 | H80-K82 PolarHBondContact O-N 3.45Å; H80-K82 VanDerWaalsContact O-N 3.09Å; K82-R86 PolarHBondContact O-N 3.38Å |
| 83 | A | 97.7 | Very high | 96.9 | Very high | 25 Ų | 25 | 69.9 Ų | 69.9 | 21% | 0.207 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H80 R86 D87 Y124 | H80-A83 WeakPolarHBondContact O-CB 3.41Å; H80-A83 PolarHBondContact O-N 2.85Å; A83-R86 PolarHBondContact O-N 3.09Å; A83-D87 PolarHBondContact O-N 3.21Å; A83-Y124 HydrophobicContact CB-CD1 3.76Å; A83-Y124 HydrophobicContact CB-CE1 4.11Å |
| 84 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.7 | -52.6 | 176.7 | -62.5 | 163.8 | 0 | 0 | 0 | 110.4 | H80 E81 R86 D87 V88 F109 M112 K113 Y124 | H80-I84 HydrophobicContact CB-CD1 3.99Å; H80-I84 HydrophobicContact CB-CG1 4.32Å; H80-I84 WeakPolarHBondContact O-CG1 3.47Å; H80-I84 PolarHBondContact O-N 3.25Å; E81-I84 PolarHBondContact O-N 3.47Å; I84-R86 VanDerWaalsContact C-N 3.25Å; I84-R86 PolarHBondContact O-N 3.12Å; I84-D87 PolarHBondContact O-N 2.96Å; I84-V88 HydrophobicContact CG2-CG2 3.96Å; I84-V88 VanDerWaalsContact O-CG2 3.27Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 3.1Å; I84-F109 HydrophobicContact CB-CD2 4.18Å; I84-F109 HydrophobicContact CB-CE2 4.28Å; I84-F109 HydrophobicContact CG2-CD2 3.58Å; I84-F109 HydrophobicContact CG2-CE2 4.13Å; I84-F109 HydrophobicContact CG2-CG 4.37Å; I84-M112 HydrophobicContact CD1-CB 4.23Å; I84-M112 HydrophobicContact CG1-CB 4.22Å; I84-M112 HydrophobicContact CG2-CB 3.66Å; I84-M112 HydrophobicContact CG2-CG 4.4Å; I84-K113 HydrophobicContact CD1-CB 4.35Å; I84-Y124 HydrophobicContact CB-CD2 4.45Å; I84-Y124 HydrophobicContact CB-CE2 4.39Å; I84-Y124 HydrophobicContact CD1-CD2 4.21Å; I84-Y124 HydrophobicContact CD1-CG 4.48Å; I84-Y124 HydrophobicContact CG1-CD1 4.22Å; I84-Y124 HydrophobicContact CG1-CD2 3.36Å; I84-Y124 HydrophobicContact CG1-CE2 3.74Å; I84-Y124 HydrophobicContact CG1-CG 3.63Å |
| 85 | R | 96.7 | Very high | 96.6 | Very high | 126 Ų | 126 | 78.3 Ų | 78.3 | 48% | 0.475 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.3 | -40.7 | -179.5 | -78.7 | -171.9 | -118.7 | -80.5 | -0.4 | 112.7 | E81 D87 T89 F109 | E81-R85 WeakPolarHBondContact O-CB 3.39Å; E81-R85 WeakPolarHBondContact O-CG 3.46Å; E81-R85 PolarHBondContact O-N 3.22Å; E81-R85 IonicContact OE2-CZ 2.92Å; E81-R85 IonicContact OE2-NH2 3.77Å; E81-R85 PolarHBondContact OE2-NH2 3.33Å; R85-D87 VanDerWaalsContact C-N 3.34Å; R85-D87 PolarHBondContact O-N 3.1Å; R85-T89 PolarHBondContact O-N 3.28Å; R85-F109 HydrophobicContact CG-CD2 3.69Å; R85-F109 HydrophobicContact CG-CE2 3.61Å; R85-F109 VanDerWaalsContact NH1-CE2 3.32Å |
| 86 | R | 96.5 | Very high | 96.5 | Very high | 142 Ų | 142 | 76 Ų | 76 | 54% | 0.536 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 178.9 | -179 | 179.4 | 57.4 | -158.5 | -5.5 | 112.3 | K82 A83 I84 T89 R90 | K82-R86 PolarHBondContact O-N 3.38Å; A83-R86 PolarHBondContact O-N 3.09Å; I84-R86 VanDerWaalsContact C-N 3.25Å; I84-R86 PolarHBondContact O-N 3.12Å; R86-T89 PolarHBondContact O-OG1 3.48Å; R86-R90 PolarHBondContact O-NE 3.48Å |
| 87 | D | 96.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 77.6 Ų | 77.6 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -81.6 | -32.3 | -179 | -76.9 | 13.1 | 0 | 0 | 0 | 112.5 | A83 I84 R85 T89 R90 T91 Y124 Q126 A129 | A83-D87 PolarHBondContact O-N 3.21Å; I84-D87 PolarHBondContact O-N 2.96Å; R85-D87 VanDerWaalsContact C-N 3.34Å; R85-D87 PolarHBondContact O-N 3.1Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 2.78Å; D87-R90 CarbonylContact O-C 3.46Å; D87-R90 WeakPolarHBondContact O-CA 3.49Å; D87-R90 PolarHBondContact O-N 3.49Å; D87-R90 IonicContact OD1-CZ 2.81Å; D87-R90 IonicContact OD1-NE 3.1Å; D87-R90 IonicContact OD1-NH2 3.72Å; D87-R90 PolarHBondContact OD1-NH2 3Å; D87-T91 PolarHBondContact O-N 2.88Å; D87-T91 PolarHBondContact O-OG1 3.42Å; D87-Y124 HydrophobicContact CB-CE1 4.48Å; D87-Y124 WeakPolarHBondContact CB-OH 3.22Å; D87-Y124 WeakPolarHBondContact OD2-CE1 3.34Å; D87-Y124 PolarHBondContact OD2-OH 3.48Å; D87-Q126 WeakPolarHBondContact OD2-CA 3.49Å; D87-Q126 WeakPolarHBondContact OD2-CG 3.45Å; D87-A129 HydrophobicContact CB-CB 4.47Å |
| 88 | V | 96.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -52.2 | -46.9 | 173.3 | 166.5 | 0 | 0 | 0 | 0 | 110.7 | I84 R90 T91 Q105 L108 F109 | I84-V88 HydrophobicContact CG2-CG2 3.96Å; I84-V88 VanDerWaalsContact O-CG2 3.27Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 3.1Å; V88-R90 PolarHBondContact O-N 3.09Å; V88-R90 VanDerWaalsContact O-N 3.08Å; V88-T91 PolarHBondContact O-N 2.85Å; V88-T91 VanDerWaalsContact O-N 3.17Å; V88-Q105 HydrophobicContact CG1-CB 3.53Å; V88-Q105 HydrophobicContact CG1-CG 3.86Å; V88-Q105 WeakPolarHBondContact CG1-O 3.29Å; V88-L108 HydrophobicContact CB-CD2 4.44Å; V88-L108 HydrophobicContact CG1-CD2 4.4Å; V88-L108 HydrophobicContact CG2-CB 4.45Å; V88-L108 HydrophobicContact CG2-CD2 4.09Å; V88-L108 HydrophobicContact CG2-CG 3.99Å; V88-F109 HydrophobicContact CG2-CB 4.16Å |
| 89 | T | 94.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 75.3 Ų | 75.3 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.8 | 178.5 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | R85 R86 D87 | R85-T89 PolarHBondContact O-N 3.28Å; R86-T89 PolarHBondContact O-OG1 3.48Å; D87-T89 VanDerWaalsContact C-N 3.26Å; D87-T89 PolarHBondContact O-N 2.78Å |
| 90 | R | 95.2 | Very high | 94.7 | Very high | 120 Ų | 120 | 79 Ų | 79 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 1.6 | -178.4 | -57.7 | -174.4 | -67.2 | 157.2 | 1 | 112.7 | R86 D87 V88 F130 | R86-R90 PolarHBondContact O-NE 3.48Å; D87-R90 CarbonylContact O-C 3.46Å; D87-R90 WeakPolarHBondContact O-CA 3.49Å; D87-R90 PolarHBondContact O-N 3.49Å; D87-R90 IonicContact OD1-CZ 2.81Å; D87-R90 IonicContact OD1-NE 3.1Å; D87-R90 IonicContact OD1-NH2 3.72Å; D87-R90 PolarHBondContact OD1-NH2 3Å; V88-R90 PolarHBondContact O-N 3.09Å; V88-R90 VanDerWaalsContact O-N 3.08Å; R90-F130 WeakPolarHBondContact O-CZ 3.46Å |
| 91 | T | 95.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -97.6 | 110.8 | -176.5 | -58.7 | 0 | 0 | 0 | 0 | 109.3 | D87 V88 L108 A129 F130 | D87-T91 PolarHBondContact O-N 2.88Å; D87-T91 PolarHBondContact O-OG1 3.42Å; V88-T91 PolarHBondContact O-N 2.85Å; V88-T91 VanDerWaalsContact O-N 3.17Å; T91-L108 HydrophobicContact CG2-CD2 3.73Å; T91-A129 HydrophobicContact CG2-CB 4.4Å; T91-F130 HydrophobicContact CG2-CD1 3.94Å; T91-F130 HydrophobicContact CG2-CE1 4.16Å; T91-F130 HydrophobicContact CG2-CG 4.13Å |
| 92 | F | 95.5 | Very high | 93.4 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 23% | 0.232 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 49.4 | 51.7 | -175.6 | -53.8 | -61 | 0 | 0 | 0 | 114 | D94 H95 F98 F130 M134 | F92-D94 PolarHBondContact O-N 3.14Å; F92-D94 VanDerWaalsContact O-N 3.13Å; F92-H95 HydrophobicContact CB-CB 3.93Å; F92-H95 WeakPolarHBondContact O-CB 3.42Å; F92-H95 PolarHBondContact O-N 3.13Å; F92-F98 HydrophobicContact CB-CD2 3.65Å; F92-F98 HydrophobicContact CB-CE2 4.09Å; F92-F98 HydrophobicContact CB-CG 4.48Å; F92-F98 HydrophobicContact CD2-CD2 4.12Å; F92-F98 AromaticContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CZ 4.4Å; F92-F98 HydrophobicContact CG-CD2 4.33Å; F92-F98 HydrophobicContact CG-CE2 4.29Å; F92-F130 HydrophobicContact CD1-CD1 4.32Å; F92-F130 HydrophobicContact CD1-CE1 4.39Å; F92-F130 HydrophobicContact CD2-CD1 4.47Å; F92-F130 AromaticContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CE1 4.31Å; F92-F130 HydrophobicContact CE2-CD1 4.02Å; F92-F130 HydrophobicContact CZ-CB 4.46Å; F92-F130 AromaticContact CZ-CD1 3.7Å; F92-F130 HydrophobicContact CZ-CD1 3.7Å; F92-M134 HydrophobicContact CE1-SD 4.34Å; F92-M134 HydrophobicContact CE2-CG 4.17Å; F92-M134 HydrophobicContact CE2-SD 4.29Å; F92-M134 HydrophobicContact CZ-CG 3.77Å; F92-M134 HydrophobicContact CZ-SD 3.69Å |
| 93 | P | 93.5 | Very high | 93.2 | Very high | 74 Ų | 74 | 80.9 Ų | 80.9 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29 | -170.8 | 27.1 | -35.9 | 0 | 0 | 0 | 113.6 | ||
| 94 | D | 93.4 | Very high | 93.1 | Very high | 162 Ų | 162 | 79.7 Ų | 79.7 | 87% | 0.866 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.8 | -179.2 | -53 | -53 | 0 | 0 | 0 | 113.2 | F92 | F92-D94 PolarHBondContact O-N 3.14Å; F92-D94 VanDerWaalsContact O-N 3.13Å |
| 95 | H | 95.4 | Very high | 93 | Very high | 86 Ų | 86 | 82 Ų | 82 | 40% | 0.398 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -85.3 | 123.1 | -178.6 | -170.9 | -76.4 | 0 | 0 | 0 | 110.3 | F92 F97 F98 L137 | F92-H95 HydrophobicContact CB-CB 3.93Å; F92-H95 WeakPolarHBondContact O-CB 3.42Å; F92-H95 PolarHBondContact O-N 3.13Å; H95-F97 WeakPolarHBondContact ND1-CB 3.18Å; H95-F97 PolarHBondContact ND1-N 3.38Å; H95-F97 VanDerWaalsContact ND1-N 3.18Å; H95-F97 PolarHBondContact O-N 3.2Å; H95-F98 HydrophobicContact CB-CD2 4.21Å; H95-F98 PolarHBondContact O-N 3.06Å; H95-L137 WeakPolarHBondContact CE1-CD2 3.19Å; H95-L137 WeakPolarHBondContact ND1-CD2 3.3Å |
| 96 | K | 93.9 | Very high | 93.1 | Very high | 170 Ų | 170 | 81.3 Ų | 81.3 | 74% | 0.739 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -48.5 | -36.5 | -175.5 | -173.1 | 179.2 | 179.5 | -178.1 | 0 | 114.7 | F98 D99 | K96-F98 VanDerWaalsContact C-N 3.26Å; K96-F98 PolarHBondContact O-N 3.25Å; K96-D99 VanDerWaalsContact O-CB 3.27Å; K96-D99 WeakPolarHBondContact O-CB 3.45Å; K96-D99 PolarHBondContact O-N 3.45Å |
| 97 | F | 95 | Very high | 93.1 | Very high | 74 Ų | 74 | 75.5 Ų | 75.5 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -62.9 | -31.1 | 177.9 | -178.1 | -104.5 | 0 | 0 | 0 | 113.8 | H95 G104 L136 L137 | H95-F97 WeakPolarHBondContact ND1-CB 3.18Å; H95-F97 PolarHBondContact ND1-N 3.38Å; H95-F97 VanDerWaalsContact ND1-N 3.18Å; H95-F97 PolarHBondContact O-N 3.2Å; F97-G104 VanDerWaalsContact O-CA 3.28Å; F97-G104 WeakPolarHBondContact O-CA 3.19Å; F97-G104 PolarHBondContact O-N 3.35Å; F97-L136 HydrophobicContact CE1-CB 4.04Å; F97-L137 HydrophobicContact CB-CD2 3.88Å; F97-L137 HydrophobicContact CD1-CD2 3.93Å; F97-L137 HydrophobicContact CG-CD2 4.13Å |
| 98 | F | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -101.1 | 20.8 | 179.7 | -60 | -70.7 | 0 | 0 | 0 | 112.2 | F92 H95 K96 Q105 L108 G133 L136 L137 | F92-F98 HydrophobicContact CB-CD2 3.65Å; F92-F98 HydrophobicContact CB-CE2 4.09Å; F92-F98 HydrophobicContact CB-CG 4.48Å; F92-F98 HydrophobicContact CD2-CD2 4.12Å; F92-F98 AromaticContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CE2 3.7Å; F92-F98 HydrophobicContact CD2-CZ 4.4Å; F92-F98 HydrophobicContact CG-CD2 4.33Å; F92-F98 HydrophobicContact CG-CE2 4.29Å; H95-F98 HydrophobicContact CB-CD2 4.21Å; H95-F98 PolarHBondContact O-N 3.06Å; K96-F98 VanDerWaalsContact C-N 3.26Å; K96-F98 PolarHBondContact O-N 3.25Å; F98-Q105 HydrophobicContact CB-CG 4.43Å; F98-Q105 WeakPolarHBondContact O-CG 3.48Å; F98-Q105 PolarHBondContact O-NE2 2.94Å; F98-L108 HydrophobicContact CD1-CD2 4.48Å; F98-L108 HydrophobicContact CE1-CB 4.21Å; F98-L108 HydrophobicContact CE1-CD2 4.27Å; F98-G133 WeakPolarHBondContact CZ-O 3.29Å; F98-L136 HydrophobicContact CZ-CB 4.33Å; F98-L137 HydrophobicContact CD2-CD2 4.32Å; F98-L137 HydrophobicContact CE2-CD1 4.28Å; F98-L137 HydrophobicContact CE2-CD2 3.58Å; F98-L137 HydrophobicContact CE2-CG 3.82Å; F98-L137 HydrophobicContact CZ-CD2 4.21Å; F98-L137 HydrophobicContact CZ-CG 4.28Å |
| 99 | D | 88.3 | Confident | 93.3 | Very high | 59 Ų | 59 | 75.8 Ų | 75.8 | 32% | 0.316 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -66.6 | 178 | 178 | 74.1 | 8.9 | 0 | 0 | 0 | 112.9 | K96 S101 G102 | K96-D99 VanDerWaalsContact O-CB 3.27Å; K96-D99 WeakPolarHBondContact O-CB 3.45Å; K96-D99 PolarHBondContact O-N 3.45Å; D99-S101 PolarHBondContact O-N 3.43Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.06Å; D99-S101 PolarHBondContact OD1-N 2.86Å; D99-S101 PolarHBondContact OD1-OG 3.31Å; D99-G102 PolarHBondContact O-N 3.49Å; D99-G102 VanDerWaalsContact O-N 3.1Å |
| 100 | E | 76.1 | Confident | 93.4 | Very high | 193 Ų | 193 | 72.4 Ų | 72.4 | 90% | 0.902 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -5.7 | -177.1 | -59.8 | -174.3 | 165.9 | 0 | 0 | 114.1 | G102 | E100-G102 PolarHBondContact O-N 3.29Å; E100-G102 VanDerWaalsContact O-N 3.12Å |
| 101 | S | 81.8 | Confident | 93.6 | Very high | 91 Ų | 91 | 66.7 Ų | 66.7 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.1 | 168.1 | 74.2 | 0 | 0 | 0 | 0 | 111.8 | D99 R103 | D99-S101 PolarHBondContact O-N 3.43Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.06Å; D99-S101 PolarHBondContact OD1-N 2.86Å; D99-S101 PolarHBondContact OD1-OG 3.31Å; S101-R103 PolarHBondContact O-N 2.97Å |
| 102 | G | 87.1 | Confident | 93.7 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | trans | 81.8 | -8.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114 | D99 E100 Q105 H106 | D99-G102 PolarHBondContact O-N 3.49Å; D99-G102 VanDerWaalsContact O-N 3.1Å; E100-G102 PolarHBondContact O-N 3.29Å; E100-G102 VanDerWaalsContact O-N 3.12Å; G102-Q105 PolarHBondContact O-N 3.43Å; G102-H106 WeakPolarHBondContact O-CB 3.12Å; G102-H106 PolarHBondContact O-N 3.29Å | ||
| 103 | R | 93.8 | Very high | 93.9 | Very high | 197 Ų | 197 | 65 Ų | 65 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.4 | -54.2 | -177.2 | -174.1 | 178.5 | 177.9 | 176.5 | -0.3 | 112.2 | S101 Q105 H106 S107 | S101-R103 PolarHBondContact O-N 2.97Å; R103-Q105 VanDerWaalsContact C-N 3.34Å; R103-Q105 PolarHBondContact O-N 3.03Å; R103-H106 PolarHBondContact O-N 2.97Å; R103-S107 PolarHBondContact O-N 2.8Å |
| 104 | G | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -37.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F97 H106 S107 L108 | F97-G104 VanDerWaalsContact O-CA 3.28Å; F97-G104 WeakPolarHBondContact O-CA 3.19Å; F97-G104 PolarHBondContact O-N 3.35Å; G104-H106 VanDerWaalsContact C-N 3.33Å; G104-H106 PolarHBondContact O-N 3.17Å; G104-S107 PolarHBondContact O-N 3.44Å; G104-L108 WeakPolarHBondContact O-CB 3.39Å; G104-L108 PolarHBondContact O-N 3.42Å |
| 105 | Q | 97.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 54 Ų | 54 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 174.5 | -68.9 | -167.8 | 13.5 | 0 | 0 | 112.3 | V88 F98 G102 R103 L108 F109 | V88-Q105 HydrophobicContact CG1-CB 3.53Å; V88-Q105 HydrophobicContact CG1-CG 3.86Å; V88-Q105 WeakPolarHBondContact CG1-O 3.29Å; F98-Q105 HydrophobicContact CB-CG 4.43Å; F98-Q105 WeakPolarHBondContact O-CG 3.48Å; F98-Q105 PolarHBondContact O-NE2 2.94Å; G102-Q105 PolarHBondContact O-N 3.43Å; R103-Q105 VanDerWaalsContact C-N 3.34Å; R103-Q105 PolarHBondContact O-N 3.03Å; Q105-L108 PolarHBondContact O-N 3.47Å; Q105-F109 WeakPolarHBondContact O-CB 3.44Å; Q105-F109 PolarHBondContact O-N 3.25Å |
| 106 | H | 97.3 | Very high | 94.5 | Very high | 112 Ų | 112 | 50 Ų | 50 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 176.7 | -171.7 | -83.6 | 0 | 0 | 0 | 111.4 | G102 R103 G104 L108 F109 N110 | G102-H106 WeakPolarHBondContact O-CB 3.12Å; G102-H106 PolarHBondContact O-N 3.29Å; R103-H106 PolarHBondContact O-N 2.97Å; G104-H106 VanDerWaalsContact C-N 3.33Å; G104-H106 PolarHBondContact O-N 3.17Å; H106-L108 VanDerWaalsContact C-N 3.31Å; H106-L108 PolarHBondContact O-N 3.18Å; H106-F109 PolarHBondContact O-N 3.45Å; H106-N110 PolarHBondContact CE1-ND2 2.92Å; H106-N110 VanDerWaalsContact CE1-ND2 3.25Å; H106-N110 PolarHBondContact CE1-OD1 3.32Å; H106-N110 PolarHBondContact ND1-ND2 3.09Å; H106-N110 VanDerWaalsContact ND1-ND2 3.2Å; H106-N110 VanDerWaalsContact O-CB 3.31Å; H106-N110 WeakPolarHBondContact O-CB 3.33Å; H106-N110 PolarHBondContact O-N 3.48Å; H106-N110 PolarHBondContact O-OD1 3.34Å |
| 107 | S | 97.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 173.8 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | R103 G104 N110 V111 E141 | R103-S107 PolarHBondContact O-N 2.8Å; G104-S107 PolarHBondContact O-N 3.44Å; S107-N110 WeakPolarHBondContact O-CB 3.31Å; S107-N110 PolarHBondContact O-N 3.03Å; S107-V111 WeakPolarHBondContact O-CG2 3.31Å; S107-V111 PolarHBondContact O-N 3.19Å; S107-E141 PolarHBondContact OG-OE2 2.74Å |
| 108 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 175.2 | -179.1 | 59 | 0 | 0 | 0 | 111.9 | V88 T91 F98 G104 Q105 H106 N110 M112 A129 V132 L136 | V88-L108 HydrophobicContact CB-CD2 4.44Å; V88-L108 HydrophobicContact CG1-CD2 4.4Å; V88-L108 HydrophobicContact CG2-CB 4.45Å; V88-L108 HydrophobicContact CG2-CD2 4.09Å; V88-L108 HydrophobicContact CG2-CG 3.99Å; T91-L108 HydrophobicContact CG2-CD2 3.73Å; F98-L108 HydrophobicContact CD1-CD2 4.48Å; F98-L108 HydrophobicContact CE1-CB 4.21Å; F98-L108 HydrophobicContact CE1-CD2 4.27Å; G104-L108 WeakPolarHBondContact O-CB 3.39Å; G104-L108 PolarHBondContact O-N 3.42Å; Q105-L108 PolarHBondContact O-N 3.47Å; H106-L108 VanDerWaalsContact C-N 3.31Å; H106-L108 PolarHBondContact O-N 3.18Å; L108-N110 VanDerWaalsContact C-N 3.31Å; L108-N110 PolarHBondContact O-N 2.88Å; L108-M112 HydrophobicContact CD1-CG 4.19Å; L108-M112 WeakPolarHBondContact O-CB 3.4Å; L108-M112 WeakPolarHBondContact O-CG 3.47Å; L108-M112 PolarHBondContact O-N 3.34Å; L108-A129 HydrophobicContact CD1-CB 4.44Å; L108-A129 WeakPolarHBondContact CD1-O 3.42Å; L108-A129 HydrophobicContact CD2-CB 4.5Å; L108-V132 HydrophobicContact CD1-CB 3.7Å; L108-V132 HydrophobicContact CD1-CG1 3.55Å; L108-L136 VanDerWaalsContact CA-CD1 3.42Å; L108-L136 HydrophobicContact CB-CD1 3.86Å; L108-L136 HydrophobicContact CD1-CD1 4.11Å |
| 109 | F | 97.9 | Very high | 95 | Very high | 20 Ų | 20 | 43 Ų | 43 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 174.7 | 173.6 | -94.6 | 0 | 0 | 0 | 111.4 | E81 I84 R85 V88 Q105 H106 K113 | E81-F109 HydrophobicContact CB-CE2 4.01Å; E81-F109 HydrophobicContact CB-CZ 3.99Å; E81-F109 HydrophobicContact CG-CE2 4.11Å; E81-F109 HydrophobicContact CG-CZ 3.67Å; I84-F109 HydrophobicContact CB-CD2 4.18Å; I84-F109 HydrophobicContact CB-CE2 4.28Å; I84-F109 HydrophobicContact CG2-CD2 3.58Å; I84-F109 HydrophobicContact CG2-CE2 4.13Å; I84-F109 HydrophobicContact CG2-CG 4.37Å; R85-F109 HydrophobicContact CG-CD2 3.69Å; R85-F109 HydrophobicContact CG-CE2 3.61Å; R85-F109 VanDerWaalsContact NH1-CE2 3.32Å; V88-F109 HydrophobicContact CG2-CB 4.16Å; Q105-F109 WeakPolarHBondContact O-CB 3.44Å; Q105-F109 PolarHBondContact O-N 3.25Å; H106-F109 PolarHBondContact O-N 3.45Å; F109-K113 HydrophobicContact CE1-CD 4.12Å; F109-K113 HydrophobicContact CZ-CD 4.22Å; F109-K113 VanDerWaalsContact O-CB 3.24Å; F109-K113 WeakPolarHBondContact O-CB 3.43Å; F109-K113 PolarHBondContact O-N 3.49Å |
| 110 | N | 98.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -50.4 | -178.7 | -80.8 | -3.5 | 0 | 0 | 0 | 112.7 | Y70 I74 H106 S107 L108 K113 A114 E141 | Y70-N110 VanDerWaalsContact OH-CB 3.27Å; Y70-N110 WeakPolarHBondContact OH-CB 3.39Å; I74-N110 HydrophobicContact CD1-CB 3.36Å; H106-N110 PolarHBondContact CE1-ND2 2.92Å; H106-N110 VanDerWaalsContact CE1-ND2 3.25Å; H106-N110 PolarHBondContact CE1-OD1 3.32Å; H106-N110 PolarHBondContact ND1-ND2 3.09Å; H106-N110 VanDerWaalsContact ND1-ND2 3.2Å; H106-N110 VanDerWaalsContact O-CB 3.31Å; H106-N110 WeakPolarHBondContact O-CB 3.33Å; H106-N110 PolarHBondContact O-N 3.48Å; H106-N110 PolarHBondContact O-OD1 3.34Å; S107-N110 WeakPolarHBondContact O-CB 3.31Å; S107-N110 PolarHBondContact O-N 3.03Å; L108-N110 VanDerWaalsContact C-N 3.31Å; L108-N110 PolarHBondContact O-N 2.88Å; N110-K113 PolarHBondContact O-N 3.41Å; N110-A114 WeakPolarHBondContact O-CB 3.44Å; N110-A114 PolarHBondContact O-N 3.45Å; N110-E141 PolarHBondContact ND2-OE2 2.88Å |
| 111 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 179.6 | 178 | 0 | 0 | 0 | 0 | 111.2 | Y70 S107 K113 A114 Y115 V132 L136 E141 F145 L148 | Y70-V111 HydrophobicContact CE2-CG2 4.05Å; S107-V111 WeakPolarHBondContact O-CG2 3.31Å; S107-V111 PolarHBondContact O-N 3.19Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 3.38Å; V111-A114 PolarHBondContact O-N 2.99Å; V111-Y115 WeakPolarHBondContact O-CB 3.33Å; V111-Y115 PolarHBondContact O-N 3.19Å; V111-V132 HydrophobicContact CB-CG1 3.67Å; V111-V132 HydrophobicContact CG1-CG1 3.45Å; V111-V132 VanDerWaalsContact CG1-CG1 3.45Å; V111-V132 HydrophobicContact CG1-CG2 4.27Å; V111-V132 HydrophobicContact CG2-CG1 4.48Å; V111-L136 HydrophobicContact CG2-CD2 4.28Å; V111-E141 HydrophobicContact CG2-CB 3.74Å; V111-E141 WeakPolarHBondContact CG2-O 3.16Å; V111-F145 HydrophobicContact CG1-CB 4.15Å; V111-F145 HydrophobicContact CG1-CD2 4.27Å; V111-L148 HydrophobicContact CG1-CD2 4.05Å |
| 112 | M | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 175.6 | -72.1 | -49.2 | -47.4 | 0 | 0 | 112.4 | I84 L108 S116 Y124 S128 A129 V132 | I84-M112 HydrophobicContact CD1-CB 4.23Å; I84-M112 HydrophobicContact CG1-CB 4.22Å; I84-M112 HydrophobicContact CG2-CB 3.66Å; I84-M112 HydrophobicContact CG2-CG 4.4Å; L108-M112 HydrophobicContact CD1-CG 4.19Å; L108-M112 WeakPolarHBondContact O-CB 3.4Å; L108-M112 WeakPolarHBondContact O-CG 3.47Å; L108-M112 PolarHBondContact O-N 3.34Å; M112-S116 WeakPolarHBondContact O-CB 3.21Å; M112-S116 PolarHBondContact O-N 2.95Å; M112-Y124 HydrophobicContact CB-CD2 4.49Å; M112-Y124 HydrophobicContact CB-CE2 4.4Å; M112-Y124 HydrophobicContact CE-CD2 3.52Å; M112-Y124 HydrophobicContact CE-CE2 3.58Å; M112-Y124 HydrophobicContact CG-CE2 4.27Å; M112-S128 WeakPolarHBondContact CE-OG 3.47Å; M112-A129 HydrophobicContact CG-CB 4.36Å; M112-V132 HydrophobicContact CG-CG2 4.49Å; M112-V132 HydrophobicContact SD-CB 3.77Å; M112-V132 HydrophobicContact SD-CG1 4.36Å; M112-V132 HydrophobicContact SD-CG2 3.27Å; M112-V132 WeakPolarHBondContact SD-CG2 3.29Å |
| 113 | K | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 8% | 0.078 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -50.1 | 175.6 | -174.2 | -176.5 | 73.9 | 161.6 | 0 | 110.4 | I74 A76 E81 I84 F109 N110 V111 Y115 S116 L117 | I74-K113 PolarHBondContact O-NZ 3.17Å; A76-K113 WeakPolarHBondContact O-CE 3.46Å; A76-K113 PolarHBondContact O-NZ 3.36Å; E81-K113 HydrophobicContact CG-CD 4.06Å; E81-K113 HydrophobicContact CG-CG 4.28Å; E81-K113 WeakPolarHBondContact OE1-CD 3.43Å; I84-K113 HydrophobicContact CD1-CB 4.35Å; F109-K113 HydrophobicContact CE1-CD 4.12Å; F109-K113 HydrophobicContact CZ-CD 4.22Å; F109-K113 VanDerWaalsContact O-CB 3.24Å; F109-K113 WeakPolarHBondContact O-CB 3.43Å; F109-K113 PolarHBondContact O-N 3.49Å; N110-K113 PolarHBondContact O-N 3.41Å; V111-K113 VanDerWaalsContact C-N 3.33Å; V111-K113 PolarHBondContact O-N 3.38Å; K113-Y115 VanDerWaalsContact C-N 3.32Å; K113-Y115 PolarHBondContact O-N 3.38Å; K113-S116 PolarHBondContact O-N 3.1Å; K113-S116 PolarHBondContact O-OG 3.21Å; K113-L117 HydrophobicContact CG-CD1 4.41Å; K113-L117 PolarHBondContact O-N 3.38Å |
| 114 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y70 F73 N110 V111 S116 L117 Y118 F145 | Y70-A114 HydrophobicContact CD2-CB 3.66Å; Y70-A114 HydrophobicContact CE2-CB 3.77Å; F73-A114 HydrophobicContact CB-CB 3.89Å; F73-A114 HydrophobicContact CD2-CB 4.48Å; N110-A114 WeakPolarHBondContact O-CB 3.44Å; N110-A114 PolarHBondContact O-N 3.45Å; V111-A114 PolarHBondContact O-N 2.99Å; A114-S116 PolarHBondContact O-N 3.18Å; A114-L117 PolarHBondContact O-N 2.93Å; A114-L117 VanDerWaalsContact O-N 3.16Å; A114-Y118 PolarHBondContact O-N 3.28Å; A114-F145 HydrophobicContact CB-CD2 4.02Å; A114-F145 HydrophobicContact CB-CE2 3.72Å; A114-F145 HydrophobicContact CB-CZ 4.19Å |
| 115 | Y | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 177.3 | -175.2 | -97.8 | 0 | 0 | 0 | 112.8 | V111 K113 L117 Y118 D119 V122 L148 L149 M152 | V111-Y115 WeakPolarHBondContact O-CB 3.33Å; V111-Y115 PolarHBondContact O-N 3.19Å; K113-Y115 VanDerWaalsContact C-N 3.32Å; K113-Y115 PolarHBondContact O-N 3.38Å; Y115-L117 PolarHBondContact O-N 3.23Å; Y115-L117 VanDerWaalsContact O-N 3.12Å; Y115-Y118 HydrophobicContact CE2-CD1 4.32Å; Y115-Y118 WeakPolarHBondContact O-CB 3.44Å; Y115-Y118 PolarHBondContact O-N 3.38Å; Y115-Y118 VanDerWaalsContact O-N 3.1Å; Y115-D119 HydrophobicContact CE1-CB 4.27Å; Y115-D119 HydrophobicContact CE2-CB 4.29Å; Y115-D119 PolarHBondContact O-N 3.49Å; Y115-D119 PolarHBondContact OH-OD2 3.26Å; Y115-V122 HydrophobicContact CE1-CB 4.37Å; Y115-V122 HydrophobicContact CE1-CG1 4.03Å; Y115-L148 HydrophobicContact CD2-CD2 3.75Å; Y115-L148 HydrophobicContact CD2-CG 4.02Å; Y115-L148 HydrophobicContact CE2-CG 4.5Å; Y115-L148 HydrophobicContact CG-CD2 3.71Å; Y115-L148 HydrophobicContact CG-CG 4.4Å; Y115-L149 HydrophobicContact CD2-CD2 3.85Å; Y115-L149 HydrophobicContact CE2-CD2 4.1Å; Y115-M152 HydrophobicContact CD1-CE 4.48Å; Y115-M152 HydrophobicContact CE1-CE 3.42Å; Y115-M152 VanDerWaalsContact CE1-CE 3.42Å; Y115-M152 HydrophobicContact CE1-CG 4.34Å; Y115-M152 HydrophobicContact CE2-CB 3.79Å; Y115-M152 HydrophobicContact CE2-CE 4.4Å; Y115-M152 HydrophobicContact CE2-CG 3.64Å; Y115-M152 VanDerWaalsContact OH-CB 3.29Å; Y115-M152 WeakPolarHBondContact OH-CB 3.43Å; Y115-M152 WeakPolarHBondContact OH-CE 3.42Å; Y115-M152 WeakPolarHBondContact OH-CG 3.47Å |
| 116 | S | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -20.6 | 178.7 | 75.7 | 0 | 0 | 0 | 0 | 114.5 | S78 M112 K113 A114 G123 | S78-S116 WeakPolarHBondContact CB-OG 3.42Å; S78-S116 PolarHBondContact OG-OG 3.04Å; M112-S116 WeakPolarHBondContact O-CB 3.21Å; M112-S116 PolarHBondContact O-N 2.95Å; K113-S116 PolarHBondContact O-N 3.1Å; K113-S116 PolarHBondContact O-OG 3.21Å; A114-S116 PolarHBondContact O-N 3.18Å; S116-G123 VanDerWaalsContact CA-O 3.24Å; S116-G123 WeakPolarHBondContact CA-O 3.34Å; S116-G123 VanDerWaalsContact CB-O 3.3Å; S116-G123 WeakPolarHBondContact CB-O 3.2Å |
| 117 | L | 98.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -91.1 | -31 | 176.3 | -69.2 | 171.5 | 0 | 0 | 0 | 112.3 | F73 A76 K113 A114 Y115 | F73-L117 HydrophobicContact CB-CB 4.31Å; F73-L117 HydrophobicContact CB-CD1 3.98Å; F73-L117 HydrophobicContact CD1-CB 3.52Å; F73-L117 HydrophobicContact CD1-CD1 4.13Å; F73-L117 HydrophobicContact CD1-CG 4.47Å; F73-L117 HydrophobicContact CE1-CB 3.93Å; F73-L117 HydrophobicContact CG-CB 3.93Å; F73-L117 HydrophobicContact CG-CD1 4.39Å; A76-L117 HydrophobicContact CB-CD1 3.74Å; K113-L117 HydrophobicContact CG-CD1 4.41Å; K113-L117 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 2.93Å; A114-L117 VanDerWaalsContact O-N 3.16Å; Y115-L117 PolarHBondContact O-N 3.23Å; Y115-L117 VanDerWaalsContact O-N 3.12Å |
| 118 | Y | 98.2 | Very high | 97.5 | Very high | 69 Ų | 69 | 32.3 Ų | 32.3 | 27% | 0.271 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.8 | -58.8 | 174.5 | 179.5 | -98.1 | 0 | 0 | 0 | 111.3 | L69 F73 A114 Y115 L149 E153 | L69-Y118 HydrophobicContact CD1-CD2 4.01Å; L69-Y118 HydrophobicContact CD1-CE2 3.71Å; F73-Y118 AromaticContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CD2 3.9Å; F73-Y118 HydrophobicContact CE2-CG 4.3Å; F73-Y118 HydrophobicContact CZ-CD2 4.28Å; A114-Y118 PolarHBondContact O-N 3.28Å; Y115-Y118 HydrophobicContact CE2-CD1 4.32Å; Y115-Y118 WeakPolarHBondContact O-CB 3.44Å; Y115-Y118 PolarHBondContact O-N 3.38Å; Y115-Y118 VanDerWaalsContact O-N 3.1Å; Y118-L149 HydrophobicContact CD1-CD2 3.5Å; Y118-L149 HydrophobicContact CD2-CD2 4.37Å; Y118-L149 HydrophobicContact CE1-CD2 3.69Å; Y118-L149 HydrophobicContact CE2-CD1 4.22Å; Y118-L149 HydrophobicContact CG-CD2 3.87Å; Y118-E153 WeakPolarHBondContact CE1-OE1 3.46Å; Y118-E153 PolarHBondContact OH-OE1 3.17Å |
| 119 | D | 97.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.08 | 15% | 0.15 | C | C | . | . | trans | -105.5 | 91.7 | 178.2 | -172.1 | -20.7 | 0 | 0 | 0 | 109.6 | Y115 E121 V122 G123 R158 | Y115-D119 HydrophobicContact CE1-CB 4.27Å; Y115-D119 HydrophobicContact CE2-CB 4.29Å; Y115-D119 PolarHBondContact O-N 3.49Å; Y115-D119 PolarHBondContact OH-OD2 3.26Å; D119-E121 VanDerWaalsContact C-N 3.28Å; D119-E121 PolarHBondContact O-N 3.46Å; D119-E121 WeakPolarHBondContact OD1-CB 3.42Å; D119-E121 PolarHBondContact OD1-N 3.07Å; D119-E121 VanDerWaalsContact OD1-N 3.13Å; D119-V122 HydrophobicContact CB-CB 4.42Å; D119-V122 PolarHBondContact OD1-N 3.25Å; D119-V122 VanDerWaalsContact OD1-N 3.09Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.2Å; D119-G123 WeakPolarHBondContact O-CA 3.4Å; D119-G123 PolarHBondContact O-N 3.27Å; D119-R158 VanDerWaalsContact CG-NH2 3.34Å; D119-R158 IonicContact OD1-NH2 3.28Å; D119-R158 PolarHBondContact OD1-NH2 2.81Å; D119-R158 IonicContact OD2-CZ 2.72Å; D119-R158 IonicContact OD2-NE 2.91Å; D119-R158 PolarHBondContact OD2-NE 2.88Å; D119-R158 IonicContact OD2-NH2 3.29Å; D119-R158 PolarHBondContact OD2-NH2 3.47Å | ||
| 120 | R | 97 | Very high | 97.4 | Very high | 200 Ų | 200 | 35.8 Ų | 35.8 | 76% | 0.755 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -18.7 | -178.8 | -63 | -172.3 | -179.4 | -166.2 | 1.4 | 113.9 | ||
| 121 | E | 96.9 | Very high | 97.4 | Very high | 108 Ų | 108 | 37 Ų | 37 | 51% | 0.505 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -43.1 | 176.7 | -173 | -169.2 | 177.8 | 0 | 0 | 109.8 | D119 R158 K162 P163 | D119-E121 VanDerWaalsContact C-N 3.28Å; D119-E121 PolarHBondContact O-N 3.46Å; D119-E121 WeakPolarHBondContact OD1-CB 3.42Å; D119-E121 PolarHBondContact OD1-N 3.07Å; D119-E121 VanDerWaalsContact OD1-N 3.13Å; E121-R158 IonicContact OE2-CZ 3.9Å; E121-R158 IonicContact OE2-NH1 2.66Å; E121-R158 PolarHBondContact OE2-NH1 3.4Å; E121-R158 IonicContact OE2-NH2 3.66Å; E121-R158 PolarHBondContact OE2-NH2 2.66Å; E121-K162 VanDerWaalsContact CD-CE 3.48Å; E121-K162 WeakPolarHBondContact OE1-CE 3.42Å; E121-K162 IonicContact OE1-NZ 2.68Å; E121-K162 PolarHBondContact OE1-NZ 2.94Å; E121-K162 WeakPolarHBondContact OE2-CE 3.42Å; E121-K162 IonicContact OE2-NZ 3.21Å; E121-P163 WeakPolarHBondContact O-CD 3.38Å |
| 122 | V | 97.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -48.4 | 172 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | Y115 D119 Y124 M152 R158 K162 | Y115-V122 HydrophobicContact CE1-CB 4.37Å; Y115-V122 HydrophobicContact CE1-CG1 4.03Å; D119-V122 HydrophobicContact CB-CB 4.42Å; D119-V122 PolarHBondContact OD1-N 3.25Å; D119-V122 VanDerWaalsContact OD1-N 3.09Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.2Å; V122-Y124 PolarHBondContact O-N 2.89Å; V122-Y124 VanDerWaalsContact O-N 3.09Å; V122-M152 HydrophobicContact CG1-CE 4.1Å; V122-R158 HydrophobicContact CG2-CB 3.95Å; V122-K162 HydrophobicContact CG2-CG 4.12Å |
| 123 | G | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 59.1 | -109.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S116 D119 | S116-G123 VanDerWaalsContact CA-O 3.24Å; S116-G123 WeakPolarHBondContact CA-O 3.34Å; S116-G123 VanDerWaalsContact CB-O 3.3Å; S116-G123 WeakPolarHBondContact CB-O 3.2Å; D119-G123 WeakPolarHBondContact O-CA 3.4Å; D119-G123 PolarHBondContact O-N 3.27Å | ||
| 124 | Y | 97.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | trans | -128.1 | 117.6 | 173.6 | -179.1 | -97.9 | 0 | 0 | 0 | 111 | H80 A83 I84 D87 M112 V122 | H80-Y124 HydrophobicContact CB-CG 4.44Å; A83-Y124 HydrophobicContact CB-CD1 3.76Å; A83-Y124 HydrophobicContact CB-CE1 4.11Å; I84-Y124 HydrophobicContact CB-CD2 4.45Å; I84-Y124 HydrophobicContact CB-CE2 4.39Å; I84-Y124 HydrophobicContact CD1-CD2 4.21Å; I84-Y124 HydrophobicContact CD1-CG 4.48Å; I84-Y124 HydrophobicContact CG1-CD1 4.22Å; I84-Y124 HydrophobicContact CG1-CD2 3.36Å; I84-Y124 HydrophobicContact CG1-CE2 3.74Å; I84-Y124 HydrophobicContact CG1-CG 3.63Å; D87-Y124 HydrophobicContact CB-CE1 4.48Å; D87-Y124 WeakPolarHBondContact CB-OH 3.22Å; D87-Y124 WeakPolarHBondContact OD2-CE1 3.34Å; D87-Y124 PolarHBondContact OD2-OH 3.48Å; M112-Y124 HydrophobicContact CB-CD2 4.49Å; M112-Y124 HydrophobicContact CB-CE2 4.4Å; M112-Y124 HydrophobicContact CE-CD2 3.52Å; M112-Y124 HydrophobicContact CE-CE2 3.58Å; M112-Y124 HydrophobicContact CG-CE2 4.27Å; V122-Y124 PolarHBondContact O-N 2.89Å; V122-Y124 VanDerWaalsContact O-N 3.09Å | ||
| 125 | C | 95.7 | Very high | 97.3 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | trans | -101.5 | 134.2 | 169.4 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | G127 S128 Y161 M165 | C125-G127 PolarHBondContact O-N 2.86Å; C125-S128 WeakPolarHBondContact O-CB 3.09Å; C125-S128 PolarHBondContact O-N 3.46Å; C125-S128 VanDerWaalsContact O-N 3.16Å; C125-S128 PolarHBondContact O-OG 3.31Å; C125-Y161 HydrophobicContact CB-CD1 3.71Å; C125-Y161 HydrophobicContact CB-CG 4.2Å; C125-Y161 WeakPolarHBondContact CB-O 3.4Å; C125-M165 VanDerWaalsContact SG-CE 3.55Å | ||
| 126 | Q | 94.3 | Very high | 97.3 | Very high | 125 Ų | 125 | 40.5 Ų | 40.5 | 58% | 0.584 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 136.4 | 175 | 176.1 | 171.5 | -20.1 | 0 | 0 | 110.5 | D87 S128 | D87-Q126 WeakPolarHBondContact OD2-CA 3.49Å; D87-Q126 WeakPolarHBondContact OD2-CG 3.45Å; Q126-S128 VanDerWaalsContact C-N 3.35Å |
| 127 | G | 93.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -20.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | C125 A129 F130 | C125-G127 PolarHBondContact O-N 2.86Å; G127-A129 PolarHBondContact O-N 3.17Å; G127-F130 PolarHBondContact O-N 3.08Å; G127-F130 VanDerWaalsContact O-N 3.13Å |
| 128 | S | 96.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -26.7 | 176.8 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | M112 C125 Q126 F130 V131 V132 | M112-S128 WeakPolarHBondContact CE-OG 3.47Å; C125-S128 WeakPolarHBondContact O-CB 3.09Å; C125-S128 PolarHBondContact O-N 3.46Å; C125-S128 VanDerWaalsContact O-N 3.16Å; C125-S128 PolarHBondContact O-OG 3.31Å; Q126-S128 VanDerWaalsContact C-N 3.35Å; S128-F130 PolarHBondContact O-N 3.05Å; S128-F130 VanDerWaalsContact O-N 3.14Å; S128-V131 WeakPolarHBondContact O-CB 3.48Å; S128-V131 PolarHBondContact O-N 2.92Å; S128-V132 PolarHBondContact O-N 2.88Å |
| 129 | A | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.6 | -28.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D87 T91 L108 M112 G127 V132 G133 | D87-A129 HydrophobicContact CB-CB 4.47Å; T91-A129 HydrophobicContact CG2-CB 4.4Å; L108-A129 HydrophobicContact CD1-CB 4.44Å; L108-A129 WeakPolarHBondContact CD1-O 3.42Å; L108-A129 HydrophobicContact CD2-CB 4.5Å; M112-A129 HydrophobicContact CG-CB 4.36Å; G127-A129 PolarHBondContact O-N 3.17Å; A129-V132 PolarHBondContact O-N 3.44Å; A129-G133 PolarHBondContact O-N 2.73Å |
| 130 | F | 97.9 | Very high | 96.9 | Very high | 94 Ų | 94 | 45 Ų | 45 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.1 | -34.8 | 176.4 | -75.3 | -86.8 | 0 | 0 | 0 | 112.7 | R90 T91 F92 G127 S128 G133 M134 | R90-F130 WeakPolarHBondContact O-CZ 3.46Å; T91-F130 HydrophobicContact CG2-CD1 3.94Å; T91-F130 HydrophobicContact CG2-CE1 4.16Å; T91-F130 HydrophobicContact CG2-CG 4.13Å; F92-F130 HydrophobicContact CD1-CD1 4.32Å; F92-F130 HydrophobicContact CD1-CE1 4.39Å; F92-F130 HydrophobicContact CD2-CD1 4.47Å; F92-F130 AromaticContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CD1 3.86Å; F92-F130 HydrophobicContact CE1-CE1 4.31Å; F92-F130 HydrophobicContact CE2-CD1 4.02Å; F92-F130 HydrophobicContact CZ-CB 4.46Å; F92-F130 AromaticContact CZ-CD1 3.7Å; F92-F130 HydrophobicContact CZ-CD1 3.7Å; G127-F130 PolarHBondContact O-N 3.08Å; G127-F130 VanDerWaalsContact O-N 3.13Å; S128-F130 PolarHBondContact O-N 3.05Å; S128-F130 VanDerWaalsContact O-N 3.14Å; F130-G133 PolarHBondContact O-N 2.9Å; F130-M134 WeakPolarHBondContact O-CG 3.46Å; F130-M134 PolarHBondContact O-N 3.45Å |
| 131 | V | 97.8 | Very high | 96.9 | Very high | 38 Ų | 38 | 38 Ų | 38 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -48.7 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | S128 G133 M134 L135 L148 L151 L157 Y161 | S128-V131 WeakPolarHBondContact O-CB 3.48Å; S128-V131 PolarHBondContact O-N 2.92Å; V131-G133 PolarHBondContact O-N 3.41Å; V131-M134 WeakPolarHBondContact O-CB 3.42Å; V131-M134 PolarHBondContact O-N 3.43Å; V131-L135 PolarHBondContact O-N 3.04Å; V131-L148 HydrophobicContact CG1-CD1 4.4Å; V131-L151 HydrophobicContact CG1-CD1 4.45Å; V131-L157 HydrophobicContact CG1-CD2 4.28Å; V131-Y161 WeakPolarHBondContact CG2-OH 3.4Å |
| 132 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | 179 | 178.3 | 0 | 0 | 0 | 0 | 112 | L108 V111 M112 S128 A129 M134 L135 L136 L148 | L108-V132 HydrophobicContact CD1-CB 3.7Å; L108-V132 HydrophobicContact CD1-CG1 3.55Å; V111-V132 HydrophobicContact CB-CG1 3.67Å; V111-V132 HydrophobicContact CG1-CG1 3.45Å; V111-V132 VanDerWaalsContact CG1-CG1 3.45Å; V111-V132 HydrophobicContact CG1-CG2 4.27Å; V111-V132 HydrophobicContact CG2-CG1 4.48Å; M112-V132 HydrophobicContact CG-CG2 4.49Å; M112-V132 HydrophobicContact SD-CB 3.77Å; M112-V132 HydrophobicContact SD-CG1 4.36Å; M112-V132 HydrophobicContact SD-CG2 3.27Å; M112-V132 WeakPolarHBondContact SD-CG2 3.29Å; S128-V132 PolarHBondContact O-N 2.88Å; A129-V132 PolarHBondContact O-N 3.44Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 2.83Å; V132-L135 PolarHBondContact O-N 3.22Å; V132-L135 VanDerWaalsContact O-N 3.16Å; V132-L136 HydrophobicContact CG1-CD1 3.91Å; V132-L136 HydrophobicContact CG1-CG 4.22Å; V132-L136 WeakPolarHBondContact O-CG 3.46Å; V132-L136 PolarHBondContact O-N 3.16Å; V132-L148 HydrophobicContact CG2-CD1 3.89Å; V132-L148 HydrophobicContact CG2-CD2 3.56Å; V132-L148 HydrophobicContact CG2-CG 4.28Å |
| 133 | G | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.4 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F98 A129 F130 V131 L135 L136 L137 | F98-G133 WeakPolarHBondContact CZ-O 3.29Å; A129-G133 PolarHBondContact O-N 2.73Å; F130-G133 PolarHBondContact O-N 2.9Å; V131-G133 PolarHBondContact O-N 3.41Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 2.63Å; G133-L136 PolarHBondContact O-N 3.41Å; G133-L137 WeakPolarHBondContact O-CG 3.27Å; G133-L137 PolarHBondContact O-N 2.97Å; G133-L137 VanDerWaalsContact O-N 3.13Å |
| 134 | M | 97.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 38.3 Ų | 38.3 | 42% | 0.419 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.9 | -75.1 | -61 | -59.7 | 0 | 0 | 113.1 | F92 F130 V131 V132 L137 | F92-M134 HydrophobicContact CE1-SD 4.34Å; F92-M134 HydrophobicContact CE2-CG 4.17Å; F92-M134 HydrophobicContact CE2-SD 4.29Å; F92-M134 HydrophobicContact CZ-CG 3.77Å; F92-M134 HydrophobicContact CZ-SD 3.69Å; F130-M134 WeakPolarHBondContact O-CG 3.46Å; F130-M134 PolarHBondContact O-N 3.45Å; V131-M134 WeakPolarHBondContact O-CB 3.42Å; V131-M134 PolarHBondContact O-N 3.43Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 2.83Å; M134-L137 HydrophobicContact SD-CD1 4.32Å |
| 135 | L | 98 | Very high | 96.9 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -45.7 | 175.5 | -63.8 | 175.3 | 0 | 0 | 0 | 111.1 | W55 V131 V132 G133 L137 L138 M139 A144 V147 L148 L151 | W55-L135 HydrophobicContact CE3-CD2 3.94Å; W55-L135 HydrophobicContact CZ3-CD2 4.11Å; V131-L135 PolarHBondContact O-N 3.04Å; V132-L135 PolarHBondContact O-N 3.22Å; V132-L135 VanDerWaalsContact O-N 3.16Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 2.63Å; L135-L137 PolarHBondContact O-N 3.45Å; L135-L138 WeakPolarHBondContact O-CA 3.27Å; L135-L138 PolarHBondContact O-N 2.95Å; L135-M139 HydrophobicContact CD2-CE 4.07Å; L135-M139 WeakPolarHBondContact O-CG 3.38Å; L135-M139 PolarHBondContact O-N 3.36Å; L135-A144 HydrophobicContact CB-CB 3.83Å; L135-V147 HydrophobicContact CD1-CB 4.46Å; L135-V147 HydrophobicContact CD1-CG1 4.33Å; L135-V147 HydrophobicContact CD2-CB 4.5Å; L135-V147 HydrophobicContact CD2-CG1 3.88Å; L135-L148 HydrophobicContact CD1-CB 4.12Å; L135-L151 HydrophobicContact CD1-CD1 4.34Å |
| 136 | L | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -20.3 | -179 | -73.2 | 173.6 | 0 | 0 | 0 | 114.2 | F97 F98 L108 V111 V132 G133 L138 M139 E141 A144 | F97-L136 HydrophobicContact CE1-CB 4.04Å; F98-L136 HydrophobicContact CZ-CB 4.33Å; L108-L136 VanDerWaalsContact CA-CD1 3.42Å; L108-L136 HydrophobicContact CB-CD1 3.86Å; L108-L136 HydrophobicContact CD1-CD1 4.11Å; V111-L136 HydrophobicContact CG2-CD2 4.28Å; V132-L136 HydrophobicContact CG1-CD1 3.91Å; V132-L136 HydrophobicContact CG1-CG 4.22Å; V132-L136 WeakPolarHBondContact O-CG 3.46Å; V132-L136 PolarHBondContact O-N 3.16Å; G133-L136 PolarHBondContact O-N 3.41Å; L136-L138 PolarHBondContact O-N 3.19Å; L136-M139 WeakPolarHBondContact CA-O 3.24Å; L136-E141 HydrophobicContact CD2-CB 4.15Å; L136-A144 HydrophobicContact CD2-CB 3.81Å; L136-A144 HydrophobicContact CG-CB 4.19Å |
| 137 | L | 96.6 | Very high | 97.2 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 30% | 0.298 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16 | 170.1 | -70.1 | 178.4 | 0 | 0 | 0 | 113.2 | H95 F97 F98 G133 M134 L135 | H95-L137 WeakPolarHBondContact CE1-CD2 3.19Å; H95-L137 WeakPolarHBondContact ND1-CD2 3.3Å; F97-L137 HydrophobicContact CB-CD2 3.88Å; F97-L137 HydrophobicContact CD1-CD2 3.93Å; F97-L137 HydrophobicContact CG-CD2 4.13Å; F98-L137 HydrophobicContact CD2-CD2 4.32Å; F98-L137 HydrophobicContact CE2-CD1 4.28Å; F98-L137 HydrophobicContact CE2-CD2 3.58Å; F98-L137 HydrophobicContact CE2-CG 3.82Å; F98-L137 HydrophobicContact CZ-CD2 4.21Å; F98-L137 HydrophobicContact CZ-CG 4.28Å; G133-L137 WeakPolarHBondContact O-CG 3.27Å; G133-L137 PolarHBondContact O-N 2.97Å; G133-L137 VanDerWaalsContact O-N 3.13Å; M134-L137 HydrophobicContact SD-CD1 4.32Å; L135-L137 PolarHBondContact O-N 3.45Å |
| 138 | L | 96.2 | Very high | 97.4 | Very high | 53 Ų | 53 | 29.6 Ų | 29.6 | 28% | 0.277 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -30.2 | -174.1 | -60.7 | 174 | 0 | 0 | 0 | 112.9 | R51 A52 W55 L135 L136 | R51-L138 HydrophobicContact CB-CD1 4.19Å; R51-L138 HydrophobicContact CB-CD2 4.36Å; A52-L138 HydrophobicContact CB-CB 4.26Å; A52-L138 WeakPolarHBondContact CB-O 3.42Å; W55-L138 HydrophobicContact CD2-CD1 4.23Å; W55-L138 HydrophobicContact CE3-CD1 3.6Å; W55-L138 HydrophobicContact CH2-CD1 3.63Å; W55-L138 HydrophobicContact CZ2-CD1 4.24Å; W55-L138 HydrophobicContact CZ3-CD1 3.27Å; L135-L138 WeakPolarHBondContact O-CA 3.27Å; L135-L138 PolarHBondContact O-N 2.95Å; L136-L138 PolarHBondContact O-N 3.19Å |
| 139 | M | 95.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 4% | 0.044 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -143.9 | 157.7 | -173.5 | 68.6 | -163.6 | 72.8 | 0 | 0 | 112.9 | W55 Q56 L135 L136 E143 A144 V147 | W55-M139 HydrophobicContact CE3-CE 4.47Å; Q56-M139 HydrophobicContact CG-CE 4.49Å; Q56-M139 HydrophobicContact CG-SD 4.18Å; L135-M139 HydrophobicContact CD2-CE 4.07Å; L135-M139 WeakPolarHBondContact O-CG 3.38Å; L135-M139 PolarHBondContact O-N 3.36Å; L136-M139 WeakPolarHBondContact CA-O 3.24Å; M139-E143 HydrophobicContact CB-CB 4.03Å; M139-E143 HydrophobicContact CG-CB 3.98Å; M139-E143 HydrophobicContact SD-CB 4.08Å; M139-A144 HydrophobicContact CG-CB 3.84Å; M139-A144 HydrophobicContact SD-CB 4.37Å; M139-V147 HydrophobicContact CE-CG2 4.39Å; M139-V147 HydrophobicContact SD-CB 4.27Å; M139-V147 HydrophobicContact SD-CG2 3.77Å |
| 140 | P | 96 | Very high | 97.5 | Very high | 78 Ų | 78 | 31.7 Ų | 31.7 | 51% | 0.506 | 16% | 0.161 | S | C | . | . | trans | -59.8 | 165.9 | 173.5 | -22 | 34 | 0 | 0 | 0 | 113.9 | E142 E143 A144 | P140-E142 PolarHBondContact O-N 3.3Å; P140-E143 VanDerWaalsContact CD-OE2 3.3Å; P140-E143 WeakPolarHBondContact CD-OE2 3.38Å; P140-E143 PolarHBondContact O-N 3.43Å; P140-A144 WeakPolarHBondContact O-CB 3.42Å; P140-A144 PolarHBondContact O-N 3.28Å | ||
| 141 | E | 96.8 | Very high | 97.5 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 24% | 0.243 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | -171.4 | 69.3 | -177.3 | -174 | 0 | 0 | 114.6 | Y70 S107 N110 V111 L136 A144 F145 | Y70-E141 HydrophobicContact CE1-CG 3.8Å; Y70-E141 WeakPolarHBondContact OH-CB 3.37Å; Y70-E141 VanDerWaalsContact OH-CG 3.29Å; Y70-E141 WeakPolarHBondContact OH-CG 3.35Å; Y70-E141 PolarHBondContact OH-OE1 2.97Å; Y70-E141 PolarHBondContact OH-OE2 3.47Å; Y70-E141 VanDerWaalsContact OH-OE2 3.06Å; S107-E141 PolarHBondContact OG-OE2 2.74Å; N110-E141 PolarHBondContact ND2-OE2 2.88Å; V111-E141 HydrophobicContact CG2-CB 3.74Å; V111-E141 WeakPolarHBondContact CG2-O 3.16Å; L136-E141 HydrophobicContact CD2-CB 4.15Å; E141-A144 PolarHBondContact O-N 3.19Å; E141-F145 WeakPolarHBondContact O-CB 3.27Å; E141-F145 PolarHBondContact O-N 2.91Å |
| 142 | E | 96.8 | Very high | 97.5 | Very high | 77 Ų | 77 | 27.8 Ų | 27.8 | 36% | 0.36 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.5 | -40.7 | 178.9 | -64.4 | 178.2 | 175.6 | 0 | 0 | 111.6 | R67 Y70 P140 F145 A146 | R67-E142 WeakPolarHBondContact CD-OE2 3.36Å; R67-E142 HydrophobicContact CG-CB 4.15Å; R67-E142 HydrophobicContact CG-CG 4.41Å; R67-E142 WeakPolarHBondContact CG-OE2 3.48Å; R67-E142 IonicContact NE-OE2 2.85Å; R67-E142 PolarHBondContact NE-OE2 3.42Å; R67-E142 VanDerWaalsContact NE-OE2 3.1Å; Y70-E142 HydrophobicContact CD1-CG 3.95Å; Y70-E142 HydrophobicContact CE1-CG 4.29Å; P140-E142 PolarHBondContact O-N 3.3Å; E142-F145 PolarHBondContact O-N 3.41Å; E142-A146 PolarHBondContact O-N 2.94Å |
| 143 | E | 97.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 22% | 0.22 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -42.2 | 177.5 | -69.2 | 167.7 | -145.7 | 0 | 0 | 110.8 | Q56 M139 P140 F145 A146 V147 | Q56-E143 PolarHBondContact NE2-OE2 3Å; Q56-E143 PolarHBondContact OE1-OE2 3.18Å; M139-E143 HydrophobicContact CB-CB 4.03Å; M139-E143 HydrophobicContact CG-CB 3.98Å; M139-E143 HydrophobicContact SD-CB 4.08Å; P140-E143 VanDerWaalsContact CD-OE2 3.3Å; P140-E143 WeakPolarHBondContact CD-OE2 3.38Å; P140-E143 PolarHBondContact O-N 3.43Å; E143-F145 VanDerWaalsContact C-N 3.28Å; E143-F145 PolarHBondContact O-N 3.32Å; E143-A146 WeakPolarHBondContact O-CB 3.45Å; E143-A146 PolarHBondContact O-N 3.34Å; E143-A146 VanDerWaalsContact O-N 3.17Å; E143-V147 WeakPolarHBondContact O-CG2 3.33Å; E143-V147 PolarHBondContact O-N 3.44Å |
| 144 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | L135 L136 M139 P140 E141 L148 | L135-A144 HydrophobicContact CB-CB 3.83Å; L136-A144 HydrophobicContact CD2-CB 3.81Å; L136-A144 HydrophobicContact CG-CB 4.19Å; M139-A144 HydrophobicContact CG-CB 3.84Å; M139-A144 HydrophobicContact SD-CB 4.37Å; P140-A144 WeakPolarHBondContact O-CB 3.42Å; P140-A144 PolarHBondContact O-N 3.28Å; E141-A144 PolarHBondContact O-N 3.19Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.42Å |
| 145 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 173.2 | -178.7 | -112.8 | 0 | 0 | 0 | 111.5 | A66 L69 Y70 F73 V111 A114 E141 E142 E143 V147 L148 L149 | A66-F145 HydrophobicContact CB-CD1 4.2Å; L69-F145 HydrophobicContact CB-CE1 4.17Å; Y70-F145 HydrophobicContact CD2-CB 3.79Å; Y70-F145 AromaticContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD1 3.67Å; Y70-F145 HydrophobicContact CD2-CD2 4.07Å; Y70-F145 HydrophobicContact CD2-CE1 4.24Å; Y70-F145 AromaticContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CD2-CG 3.57Å; Y70-F145 HydrophobicContact CE2-CB 4.11Å; Y70-F145 HydrophobicContact CE2-CG 4.22Å; Y70-F145 HydrophobicContact CG-CD1 4.17Å; Y70-F145 HydrophobicContact CG-CG 4.45Å; F73-F145 HydrophobicContact CD2-CZ 4.18Å; F73-F145 HydrophobicContact CE2-CZ 4.45Å; V111-F145 HydrophobicContact CG1-CB 4.15Å; V111-F145 HydrophobicContact CG1-CD2 4.27Å; A114-F145 HydrophobicContact CB-CD2 4.02Å; A114-F145 HydrophobicContact CB-CE2 3.72Å; A114-F145 HydrophobicContact CB-CZ 4.19Å; E141-F145 WeakPolarHBondContact O-CB 3.27Å; E141-F145 PolarHBondContact O-N 2.91Å; E142-F145 PolarHBondContact O-N 3.41Å; E143-F145 VanDerWaalsContact C-N 3.28Å; E143-F145 PolarHBondContact O-N 3.32Å; F145-V147 PolarHBondContact O-N 2.85Å; F145-L148 WeakPolarHBondContact O-CB 3.07Å; F145-L148 PolarHBondContact O-N 3.26Å; F145-L149 HydrophobicContact CD1-CD1 4.44Å; F145-L149 HydrophobicContact CD2-CD2 4.44Å; F145-L149 HydrophobicContact CE1-CD1 3.89Å; F145-L149 HydrophobicContact CE1-CD2 4.4Å; F145-L149 HydrophobicContact CE1-CG 4.28Å; F145-L149 HydrophobicContact CE2-CD2 3.83Å; F145-L149 HydrophobicContact CE2-CG 4.4Å; F145-L149 HydrophobicContact CZ-CD1 4.07Å; F145-L149 HydrophobicContact CZ-CD2 3.81Å; F145-L149 HydrophobicContact CZ-CG 4.19Å; F145-L149 WeakPolarHBondContact O-CG 3.47Å; F145-L149 PolarHBondContact O-N 2.92Å |
| 146 | A | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A61 A66 E142 E143 L148 L149 K150 | A61-A146 HydrophobicContact CB-CB 4.07Å; A66-A146 HydrophobicContact CB-CB 3.43Å; A66-A146 VanDerWaalsContact CB-CB 3.43Å; E142-A146 PolarHBondContact O-N 2.94Å; E143-A146 WeakPolarHBondContact O-CB 3.45Å; E143-A146 PolarHBondContact O-N 3.34Å; E143-A146 VanDerWaalsContact O-N 3.17Å; A146-L148 VanDerWaalsContact C-N 3.34Å; A146-L149 PolarHBondContact O-N 3.31Å; A146-K150 PolarHBondContact O-N 2.92Å |
| 147 | V | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | Q56 A61 L135 M139 E143 F145 L149 K150 L151 | Q56-V147 HydrophobicContact CB-CG2 4.4Å; Q56-V147 HydrophobicContact CG-CG2 3.68Å; A61-V147 HydrophobicContact CB-CG2 4.23Å; L135-V147 HydrophobicContact CD1-CB 4.46Å; L135-V147 HydrophobicContact CD1-CG1 4.33Å; L135-V147 HydrophobicContact CD2-CB 4.5Å; L135-V147 HydrophobicContact CD2-CG1 3.88Å; M139-V147 HydrophobicContact CE-CG2 4.39Å; M139-V147 HydrophobicContact SD-CB 4.27Å; M139-V147 HydrophobicContact SD-CG2 3.77Å; E143-V147 WeakPolarHBondContact O-CG2 3.33Å; E143-V147 PolarHBondContact O-N 3.44Å; F145-V147 PolarHBondContact O-N 2.85Å; V147-L149 VanDerWaalsContact C-N 3.35Å; V147-L149 PolarHBondContact O-N 2.87Å; V147-K150 PolarHBondContact O-N 3.39Å; V147-L151 HydrophobicContact CG1-CD1 4.13Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CG 3.47Å; V147-L151 PolarHBondContact O-N 3.42Å |
| 148 | L | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.3 | 178.6 | 67.9 | 0 | 0 | 0 | 111.9 | V111 Y115 V131 V132 L135 A144 F145 A146 K150 L151 M152 | V111-L148 HydrophobicContact CG1-CD2 4.05Å; Y115-L148 HydrophobicContact CD2-CD2 3.75Å; Y115-L148 HydrophobicContact CD2-CG 4.02Å; Y115-L148 HydrophobicContact CE2-CG 4.5Å; Y115-L148 HydrophobicContact CG-CD2 3.71Å; Y115-L148 HydrophobicContact CG-CG 4.4Å; V131-L148 HydrophobicContact CG1-CD1 4.4Å; V132-L148 HydrophobicContact CG2-CD1 3.89Å; V132-L148 HydrophobicContact CG2-CD2 3.56Å; V132-L148 HydrophobicContact CG2-CG 4.28Å; L135-L148 HydrophobicContact CD1-CB 4.12Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.42Å; F145-L148 WeakPolarHBondContact O-CB 3.07Å; F145-L148 PolarHBondContact O-N 3.26Å; A146-L148 VanDerWaalsContact C-N 3.34Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.47Å; L148-L151 PolarHBondContact O-N 3.3Å; L148-M152 HydrophobicContact CD1-CG 3.89Å; L148-M152 HydrophobicContact CG-CG 4.21Å; L148-M152 WeakPolarHBondContact O-CB 3.31Å; L148-M152 WeakPolarHBondContact O-CG 3.12Å; L148-M152 PolarHBondContact O-N 3.21Å |
| 149 | L | 97.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 177 | -63.5 | -169 | 0 | 0 | 0 | 110.6 | A66 L69 Y115 Y118 F145 A146 V147 M152 E153 | A66-L149 HydrophobicContact CB-CD1 4.4Å; L69-L149 HydrophobicContact CD1-CD1 4.41Å; Y115-L149 HydrophobicContact CD2-CD2 3.85Å; Y115-L149 HydrophobicContact CE2-CD2 4.1Å; Y118-L149 HydrophobicContact CD1-CD2 3.5Å; Y118-L149 HydrophobicContact CD2-CD2 4.37Å; Y118-L149 HydrophobicContact CE1-CD2 3.69Å; Y118-L149 HydrophobicContact CE2-CD1 4.22Å; Y118-L149 HydrophobicContact CG-CD2 3.87Å; F145-L149 HydrophobicContact CD1-CD1 4.44Å; F145-L149 HydrophobicContact CD2-CD2 4.44Å; F145-L149 HydrophobicContact CE1-CD1 3.89Å; F145-L149 HydrophobicContact CE1-CD2 4.4Å; F145-L149 HydrophobicContact CE1-CG 4.28Å; F145-L149 HydrophobicContact CE2-CD2 3.83Å; F145-L149 HydrophobicContact CE2-CG 4.4Å; F145-L149 HydrophobicContact CZ-CD1 4.07Å; F145-L149 HydrophobicContact CZ-CD2 3.81Å; F145-L149 HydrophobicContact CZ-CG 4.19Å; F145-L149 WeakPolarHBondContact O-CG 3.47Å; F145-L149 PolarHBondContact O-N 2.92Å; A146-L149 PolarHBondContact O-N 3.31Å; V147-L149 VanDerWaalsContact C-N 3.35Å; V147-L149 PolarHBondContact O-N 2.87Å; L149-M152 PolarHBondContact O-N 3.39Å; L149-E153 WeakPolarHBondContact O-CB 3.4Å; L149-E153 WeakPolarHBondContact O-CG 3.47Å; L149-E153 PolarHBondContact O-N 3.27Å |
| 150 | K | 97.5 | Very high | 96.7 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 19% | 0.191 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 177.8 | -68 | -64.1 | -175.5 | -176.4 | 0 | 113.3 | S59 S60 A61 A146 V147 L148 M152 E153 D154 Y155 | S59-K150 WeakPolarHBondContact O-CD 3.44Å; S59-K150 VanDerWaalsContact O-CG 3.29Å; S59-K150 WeakPolarHBondContact O-CG 3.21Å; S60-K150 WeakPolarHBondContact O-CE 3.08Å; A61-K150 HydrophobicContact CB-CG 4.45Å; A146-K150 PolarHBondContact O-N 2.92Å; V147-K150 PolarHBondContact O-N 3.39Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.47Å; K150-M152 VanDerWaalsContact C-N 3.28Å; K150-M152 PolarHBondContact O-N 2.85Å; K150-E153 PolarHBondContact O-N 3.42Å; K150-D154 WeakPolarHBondContact CD-OD2 3.35Å; K150-D154 IonicContact NZ-OD2 2.74Å; K150-D154 PolarHBondContact NZ-OD2 3.27Å; K150-D154 WeakPolarHBondContact O-CB 3.39Å; K150-D154 PolarHBondContact O-N 3.48Å; K150-Y155 WeakPolarHBondContact O-CD2 3.41Å; K150-Y155 PolarHBondContact O-N 3.01Å |
| 151 | L | 97.5 | Very high | 96.6 | Very high | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 175.7 | -70.5 | 175.4 | 0 | 0 | 0 | 111.7 | V131 L135 V147 L148 Y155 L157 | V131-L151 HydrophobicContact CG1-CD1 4.45Å; L135-L151 HydrophobicContact CD1-CD1 4.34Å; V147-L151 HydrophobicContact CG1-CD1 4.13Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CG 3.47Å; V147-L151 PolarHBondContact O-N 3.42Å; L148-L151 PolarHBondContact O-N 3.3Å; L151-Y155 HydrophobicContact CD2-CD2 4.13Å; L151-Y155 HydrophobicContact CD2-CG 4.36Å; L151-Y155 CarbonylContact O-C 3.52Å; L151-Y155 WeakPolarHBondContact O-CB 3.29Å; L151-L157 HydrophobicContact CB-CD2 4.27Å; L151-L157 WeakPolarHBondContact O-CB 3.14Å; L151-L157 PolarHBondContact O-N 3.48Å; L151-L157 VanDerWaalsContact O-N 3.1Å |
| 152 | M | 97.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.1 | -40 | -177 | -67.2 | -63.3 | -89.7 | 0 | 0 | 112.2 | Y115 V122 L148 L149 K150 L157 R158 Y161 | Y115-M152 HydrophobicContact CD1-CE 4.48Å; Y115-M152 HydrophobicContact CE1-CE 3.42Å; Y115-M152 VanDerWaalsContact CE1-CE 3.42Å; Y115-M152 HydrophobicContact CE1-CG 4.34Å; Y115-M152 HydrophobicContact CE2-CB 3.79Å; Y115-M152 HydrophobicContact CE2-CE 4.4Å; Y115-M152 HydrophobicContact CE2-CG 3.64Å; Y115-M152 VanDerWaalsContact OH-CB 3.29Å; Y115-M152 WeakPolarHBondContact OH-CB 3.43Å; Y115-M152 WeakPolarHBondContact OH-CE 3.42Å; Y115-M152 WeakPolarHBondContact OH-CG 3.47Å; V122-M152 HydrophobicContact CG1-CE 4.1Å; L148-M152 HydrophobicContact CD1-CG 3.89Å; L148-M152 HydrophobicContact CG-CG 4.21Å; L148-M152 WeakPolarHBondContact O-CB 3.31Å; L148-M152 WeakPolarHBondContact O-CG 3.12Å; L148-M152 PolarHBondContact O-N 3.21Å; L149-M152 PolarHBondContact O-N 3.39Å; K150-M152 VanDerWaalsContact C-N 3.28Å; K150-M152 PolarHBondContact O-N 2.85Å; M152-L157 PolarHBondContact O-N 3.06Å; M152-L157 HydrophobicContact SD-CB 3.9Å; M152-L157 HydrophobicContact SD-CD2 3.94Å; M152-L157 HydrophobicContact SD-CG 3.91Å; M152-R158 HydrophobicContact CB-CB 4.15Å; M152-R158 HydrophobicContact CE-CB 4.1Å; M152-R158 WeakPolarHBondContact O-CB 3.35Å; M152-R158 WeakPolarHBondContact O-CD 2.93Å; M152-R158 WeakPolarHBondContact O-CG 3.5Å; M152-R158 PolarHBondContact O-N 3.16Å; M152-R158 VanDerWaalsContact O-N 3.17Å; M152-R158 HydrophobicContact SD-CB 4.44Å; M152-Y161 HydrophobicContact CE-CD2 3.71Å; M152-Y161 HydrophobicContact CE-CG 4.32Å; M152-Y161 HydrophobicContact SD-CD2 3.95Å; M152-Y161 HydrophobicContact SD-CE2 4.36Å |
| 153 | E | 95.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 45 Ų | 45 | 35% | 0.35 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -87.5 | -68.2 | -178.1 | -64.4 | 179.7 | 152.6 | 0 | 0 | 112.4 | Y118 L149 K150 Y155 R156 | Y118-E153 WeakPolarHBondContact CE1-OE1 3.46Å; Y118-E153 PolarHBondContact OH-OE1 3.17Å; L149-E153 WeakPolarHBondContact O-CB 3.4Å; L149-E153 WeakPolarHBondContact O-CG 3.47Å; L149-E153 PolarHBondContact O-N 3.27Å; K150-E153 PolarHBondContact O-N 3.42Å; E153-Y155 PolarHBondContact O-N 3.14Å; E153-R156 PolarHBondContact O-N 2.92Å |
| 154 | D | 94.9 | Very high | 96 | Very high | 93 Ų | 93 | 46.6 Ų | 46.6 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -34.1 | -167.7 | -64.1 | -8.2 | 0 | 0 | 0 | 111.5 | K150 R156 | K150-D154 WeakPolarHBondContact CD-OD2 3.35Å; K150-D154 IonicContact NZ-OD2 2.74Å; K150-D154 PolarHBondContact NZ-OD2 3.27Å; K150-D154 WeakPolarHBondContact O-CB 3.39Å; K150-D154 PolarHBondContact O-N 3.48Å; D154-R156 VanDerWaalsContact C-N 3.34Å |
| 155 | Y | 93.9 | Very high | 95.5 | Very high | 129 Ų | 129 | 50.3 Ų | 50.3 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 9 | 175.9 | -61.4 | -93.5 | 0 | 0 | 0 | 113.2 | L58 K150 L151 E153 L157 | L58-Y155 PolarHBondContact O-OH 3.02Å; K150-Y155 WeakPolarHBondContact O-CD2 3.41Å; K150-Y155 PolarHBondContact O-N 3.01Å; L151-Y155 HydrophobicContact CD2-CD2 4.13Å; L151-Y155 HydrophobicContact CD2-CG 4.36Å; L151-Y155 CarbonylContact O-C 3.52Å; L151-Y155 WeakPolarHBondContact O-CB 3.29Å; E153-Y155 PolarHBondContact O-N 3.14Å; Y155-L157 PolarHBondContact O-N 3.16Å |
| 156 | R | 94.2 | Very high | 95 | Very high | 144 Ų | 144 | 54 Ų | 54 | 54% | 0.543 | 27% | 0.272 | S | S | . | . | trans | 56.5 | 19.5 | 175.4 | -58.5 | -179.6 | 59.7 | -134.3 | -13.1 | 114.9 | E153 D154 R158 E159 E167 | E153-R156 PolarHBondContact O-N 2.92Å; D154-R156 VanDerWaalsContact C-N 3.34Å; R156-R158 PolarHBondContact O-N 3.47Å; R156-R158 VanDerWaalsContact O-N 3.16Å; R156-E159 HydrophobicContact CB-CG 4.42Å; R156-E159 PolarHBondContact O-N 2.68Å; R156-E159 VanDerWaalsContact O-N 3.14Å; R156-E167 IonicContact CZ-OE1 3.06Å; R156-E167 IonicContact NH1-OE1 3.47Å; R156-E167 IonicContact NH2-OE1 2.73Å; R156-E167 PolarHBondContact NH2-OE1 2.81Å | ||
| 157 | L | 95.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.8 | -178.4 | -172 | 67.4 | 0 | 0 | 0 | 111.6 | V131 L151 M152 Y155 E159 L160 Y161 | V131-L157 HydrophobicContact CG1-CD2 4.28Å; L151-L157 HydrophobicContact CB-CD2 4.27Å; L151-L157 WeakPolarHBondContact O-CB 3.14Å; L151-L157 PolarHBondContact O-N 3.48Å; L151-L157 VanDerWaalsContact O-N 3.1Å; M152-L157 PolarHBondContact O-N 3.06Å; M152-L157 HydrophobicContact SD-CB 3.9Å; M152-L157 HydrophobicContact SD-CD2 3.94Å; M152-L157 HydrophobicContact SD-CG 3.91Å; Y155-L157 PolarHBondContact O-N 3.16Å; L157-E159 PolarHBondContact O-N 2.52Å; L157-L160 HydrophobicContact CD1-CD1 3.93Å; L157-L160 PolarHBondContact O-N 3.36Å; L157-Y161 HydrophobicContact CD1-CE2 4.21Å; L157-Y161 HydrophobicContact CD2-CE2 4.07Å; L157-Y161 HydrophobicContact CG-CD2 4.18Å; L157-Y161 HydrophobicContact CG-CE2 3.79Å; L157-Y161 WeakPolarHBondContact O-CD2 3.41Å |
| 158 | R | 96.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56 | -33.2 | 176.6 | 72.4 | -175.9 | -62 | -89.8 | -0.7 | 113.7 | D119 E121 V122 M152 R156 L160 Y161 K162 | D119-R158 VanDerWaalsContact CG-NH2 3.34Å; D119-R158 IonicContact OD1-NH2 3.28Å; D119-R158 PolarHBondContact OD1-NH2 2.81Å; D119-R158 IonicContact OD2-CZ 2.72Å; D119-R158 IonicContact OD2-NE 2.91Å; D119-R158 PolarHBondContact OD2-NE 2.88Å; D119-R158 IonicContact OD2-NH2 3.29Å; D119-R158 PolarHBondContact OD2-NH2 3.47Å; E121-R158 IonicContact OE2-CZ 3.9Å; E121-R158 IonicContact OE2-NH1 2.66Å; E121-R158 PolarHBondContact OE2-NH1 3.4Å; E121-R158 IonicContact OE2-NH2 3.66Å; E121-R158 PolarHBondContact OE2-NH2 2.66Å; V122-R158 HydrophobicContact CG2-CB 3.95Å; M152-R158 HydrophobicContact CB-CB 4.15Å; M152-R158 HydrophobicContact CE-CB 4.1Å; M152-R158 WeakPolarHBondContact O-CB 3.35Å; M152-R158 WeakPolarHBondContact O-CD 2.93Å; M152-R158 WeakPolarHBondContact O-CG 3.5Å; M152-R158 PolarHBondContact O-N 3.16Å; M152-R158 VanDerWaalsContact O-N 3.17Å; M152-R158 HydrophobicContact SD-CB 4.44Å; R156-R158 PolarHBondContact O-N 3.47Å; R156-R158 VanDerWaalsContact O-N 3.16Å; R158-L160 PolarHBondContact O-N 3.34Å; R158-Y161 CarbonylContact O-C 3.54Å; R158-Y161 PolarHBondContact O-N 2.91Å; R158-K162 PolarHBondContact O-N 3.05Å |
| 159 | E | 95.7 | Very high | 94.1 | Very high | 46 Ų | 46 | 61 Ų | 61 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.7 | -28.8 | -175.9 | -59.3 | -57.2 | 134.8 | 0 | 0 | 111.5 | R156 L157 Y161 K162 E167 | R156-E159 HydrophobicContact CB-CG 4.42Å; R156-E159 PolarHBondContact O-N 2.68Å; R156-E159 VanDerWaalsContact O-N 3.14Å; L157-E159 PolarHBondContact O-N 2.52Å; E159-Y161 VanDerWaalsContact C-N 3.3Å; E159-K162 VanDerWaalsContact CD-CE 3.48Å; E159-K162 WeakPolarHBondContact OE1-CE 3.3Å; E159-K162 IonicContact OE1-NZ 3.72Å; E159-K162 PolarHBondContact OE1-NZ 2.58Å; E159-K162 WeakPolarHBondContact OE2-CD 3.34Å; E159-K162 WeakPolarHBondContact OE2-CE 3.24Å; E159-K162 IonicContact OE2-NZ 3.68Å; E159-K162 PolarHBondContact OE2-NZ 3.21Å; E159-E167 HydrophobicContact CB-CB 3.82Å; E159-E167 HydrophobicContact CB-CG 3.88Å; E159-E167 WeakPolarHBondContact O-CB 3.37Å |
| 160 | L | 94.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.5 | -23.3 | 173.1 | -60.5 | -178.5 | 0 | 0 | 0 | 113.1 | L157 R158 E167 L168 C171 | L157-L160 HydrophobicContact CD1-CD1 3.93Å; L157-L160 PolarHBondContact O-N 3.36Å; R158-L160 PolarHBondContact O-N 3.34Å; L160-E167 HydrophobicContact CD2-CB 4.04Å; L160-E167 HydrophobicContact CD2-CG 3.85Å; L160-L168 HydrophobicContact CD2-CB 4.47Å; L160-C171 HydrophobicContact CD2-CB 4.45Å |
| 161 | Y | 95.1 | Very high | 93.7 | Very high | 41 Ų | 41 | 64.3 Ų | 64.3 | 16% | 0.161 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -104.6 | -2.7 | -175.1 | -69.7 | -61 | 0 | 0 | 0 | 113.8 | C125 V131 M152 L157 R158 E159 | C125-Y161 HydrophobicContact CB-CD1 3.71Å; C125-Y161 HydrophobicContact CB-CG 4.2Å; C125-Y161 WeakPolarHBondContact CB-O 3.4Å; V131-Y161 WeakPolarHBondContact CG2-OH 3.4Å; M152-Y161 HydrophobicContact CE-CD2 3.71Å; M152-Y161 HydrophobicContact CE-CG 4.32Å; M152-Y161 HydrophobicContact SD-CD2 3.95Å; M152-Y161 HydrophobicContact SD-CE2 4.36Å; L157-Y161 HydrophobicContact CD1-CE2 4.21Å; L157-Y161 HydrophobicContact CD2-CE2 4.07Å; L157-Y161 HydrophobicContact CG-CD2 4.18Å; L157-Y161 HydrophobicContact CG-CE2 3.79Å; L157-Y161 WeakPolarHBondContact O-CD2 3.41Å; R158-Y161 CarbonylContact O-C 3.54Å; R158-Y161 PolarHBondContact O-N 2.91Å; E159-Y161 VanDerWaalsContact C-N 3.3Å |
| 162 | K | 94.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 67.1 Ų | 67.1 | 12% | 0.122 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -61.2 | 145.1 | 173.2 | -78 | -176.1 | -178.2 | 176.2 | 0 | 111 | E121 V122 R158 E159 S164 M165 | E121-K162 VanDerWaalsContact CD-CE 3.48Å; E121-K162 WeakPolarHBondContact OE1-CE 3.42Å; E121-K162 IonicContact OE1-NZ 2.68Å; E121-K162 PolarHBondContact OE1-NZ 2.94Å; E121-K162 WeakPolarHBondContact OE2-CE 3.42Å; E121-K162 IonicContact OE2-NZ 3.21Å; V122-K162 HydrophobicContact CG2-CG 4.12Å; R158-K162 PolarHBondContact O-N 3.05Å; E159-K162 VanDerWaalsContact CD-CE 3.48Å; E159-K162 WeakPolarHBondContact OE1-CE 3.3Å; E159-K162 IonicContact OE1-NZ 3.72Å; E159-K162 PolarHBondContact OE1-NZ 2.58Å; E159-K162 WeakPolarHBondContact OE2-CD 3.34Å; E159-K162 WeakPolarHBondContact OE2-CE 3.24Å; E159-K162 IonicContact OE2-NZ 3.68Å; E159-K162 PolarHBondContact OE2-NZ 3.21Å; K162-S164 PolarHBondContact O-N 3Å; K162-M165 PolarHBondContact O-N 3.45Å |
| 163 | P | 92 | Very high | 93.4 | Very high | 99 Ų | 99 | 72.8 Ų | 72.8 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.9 | -179.3 | -27.3 | 34.7 | 0 | 0 | 0 | 115 | E121 M165 | E121-P163 WeakPolarHBondContact O-CD 3.38Å; P163-M165 PolarHBondContact O-N 3.25Å |
| 164 | S | 90.9 | Very high | 93.4 | Very high | 81 Ų | 81 | 74.3 Ų | 74.3 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16.1 | 178.2 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | K162 S166 | K162-S164 PolarHBondContact O-N 3Å; S164-S166 VanDerWaalsContact CB-OG 3.23Å; S164-S166 WeakPolarHBondContact CB-OG 3.49Å; S164-S166 PolarHBondContact O-N 3.13Å; S164-S166 PolarHBondContact O-OG 3.03Å; S164-S166 PolarHBondContact OG-OG 3.19Å |
| 165 | M | 87.1 | Confident | 93.4 | Very high | 79 Ų | 79 | 75 Ų | 75 | 39% | 0.389 | 39% | 0.389 | S | S | . | . | trans | 51.7 | 23.4 | -179.3 | -62.8 | -71.6 | 178.1 | 0 | 0 | 113.9 | C125 K162 P163 L168 G169 | C125-M165 VanDerWaalsContact SG-CE 3.55Å; K162-M165 PolarHBondContact O-N 3.45Å; P163-M165 PolarHBondContact O-N 3.25Å; M165-L168 PolarHBondContact O-N 3.13Å; M165-L168 HydrophobicContact SD-CD2 3.8Å; M165-G169 PolarHBondContact O-N 3.24Å | ||
| 166 | S | 88.3 | Confident | 93.5 | Very high | 77 Ų | 77 | 74.1 Ų | 74.1 | 54% | 0.538 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.6 | -47.4 | -169.6 | -43.8 | 0 | 0 | 0 | 0 | 111.5 | S164 L168 G169 L170 | S164-S166 VanDerWaalsContact CB-OG 3.23Å; S164-S166 WeakPolarHBondContact CB-OG 3.49Å; S164-S166 PolarHBondContact O-N 3.13Å; S164-S166 PolarHBondContact O-OG 3.03Å; S164-S166 PolarHBondContact OG-OG 3.19Å; S166-L168 VanDerWaalsContact C-N 3.32Å; S166-L168 PolarHBondContact O-N 2.7Å; S166-G169 PolarHBondContact O-N 2.73Å; S166-L170 PolarHBondContact O-N 3.42Å |
| 167 | E | 92.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 178.3 | -162.3 | 76 | 167.4 | 0 | 0 | 111 | R156 E159 L160 G169 L170 C171 | R156-E167 IonicContact CZ-OE1 3.06Å; R156-E167 IonicContact NH1-OE1 3.47Å; R156-E167 IonicContact NH2-OE1 2.73Å; R156-E167 PolarHBondContact NH2-OE1 2.81Å; E159-E167 HydrophobicContact CB-CB 3.82Å; E159-E167 HydrophobicContact CB-CG 3.88Å; E159-E167 WeakPolarHBondContact O-CB 3.37Å; L160-E167 HydrophobicContact CD2-CB 4.04Å; L160-E167 HydrophobicContact CD2-CG 3.85Å; E167-G169 PolarHBondContact O-N 3.2Å; E167-L170 WeakPolarHBondContact O-CB 3.36Å; E167-L170 PolarHBondContact O-N 3.27Å; E167-C171 PolarHBondContact O-N 3.05Å; E167-C171 PolarHBondContact O-SG 3.01Å; E167-C171 VanDerWaalsContact O-SG 3.42Å |
| 168 | L | 91.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 70 Ų | 70 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 174.1 | 179.5 | 62.1 | 0 | 0 | 0 | 111.2 | L160 M165 S166 L170 C171 L172 | L160-L168 HydrophobicContact CD2-CB 4.47Å; M165-L168 PolarHBondContact O-N 3.13Å; M165-L168 HydrophobicContact SD-CD2 3.8Å; S166-L168 VanDerWaalsContact C-N 3.32Å; S166-L168 PolarHBondContact O-N 2.7Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.09Å; L168-C171 PolarHBondContact O-N 2.95Å; L168-L172 HydrophobicContact CG-CD1 4.36Å; L168-L172 WeakPolarHBondContact O-CG 3.19Å; L168-L172 PolarHBondContact O-N 3.45Å |
| 169 | G | 92 | Very high | 93.2 | Very high | 40 Ų | 40 | 71.5 Ų | 71.5 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M165 S166 E167 L172 F173 | M165-G169 PolarHBondContact O-N 3.24Å; S166-G169 PolarHBondContact O-N 2.73Å; E167-G169 PolarHBondContact O-N 3.2Å; G169-L172 PolarHBondContact O-N 3.21Å; G169-F173 PolarHBondContact O-N 3.29Å |
| 170 | L | 94.1 | Very high | 93 | Very high | 77 Ų | 77 | 74 Ų | 74 | 40% | 0.403 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 175.6 | 179.2 | 61 | 0 | 0 | 0 | 112 | S166 E167 L168 L172 F173 Q174 | S166-L170 PolarHBondContact O-N 3.42Å; E167-L170 WeakPolarHBondContact O-CB 3.36Å; E167-L170 PolarHBondContact O-N 3.27Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.09Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-L172 PolarHBondContact O-N 3.02Å; L170-F173 PolarHBondContact O-N 3.1Å; L170-Q174 HydrophobicContact CD1-CG 4.36Å; L170-Q174 HydrophobicContact CG-CG 4.49Å; L170-Q174 VanDerWaalsContact O-CG 3.31Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 2.75Å |
| 171 | C | 93.7 | Very high | 92.8 | Very high | 47 Ų | 47 | 76.9 Ų | 76.9 | 32% | 0.318 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 177.7 | -72.9 | 0 | 0 | 0 | 0 | 112.2 | L160 E167 L168 Q174 L175 | L160-C171 HydrophobicContact CD2-CB 4.45Å; E167-C171 PolarHBondContact O-N 3.05Å; E167-C171 PolarHBondContact O-SG 3.01Å; E167-C171 VanDerWaalsContact O-SG 3.42Å; L168-C171 PolarHBondContact O-N 2.95Å; C171-Q174 PolarHBondContact O-N 3.44Å; C171-L175 WeakPolarHBondContact O-CB 3.21Å; C171-L175 PolarHBondContact O-N 3.49Å |
| 172 | L | 94.5 | Very high | 92.3 | Very high | 104 Ų | 104 | 80.1 Ų | 80.1 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 174.6 | -72 | 172.8 | 0 | 0 | 0 | 111.6 | L168 G169 L170 L175 E176 | L168-L172 HydrophobicContact CG-CD1 4.36Å; L168-L172 WeakPolarHBondContact O-CG 3.19Å; L168-L172 PolarHBondContact O-N 3.45Å; G169-L172 PolarHBondContact O-N 3.21Å; L170-L172 VanDerWaalsContact C-N 3.32Å; L170-L172 PolarHBondContact O-N 3.02Å; L172-L175 PolarHBondContact O-N 3.48Å; L172-E176 PolarHBondContact O-N 3.09Å |
| 173 | F | 94.7 | Very high | 91.7 | Very high | 124 Ų | 124 | 84.9 Ų | 84.9 | 54% | 0.544 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 175 | 176.4 | -103.5 | 0 | 0 | 0 | 112.2 | G169 L170 L175 E176 C177 | G169-F173 PolarHBondContact O-N 3.29Å; L170-F173 PolarHBondContact O-N 3.1Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.43Å; F173-E176 WeakPolarHBondContact O-CB 3.19Å; F173-E176 PolarHBondContact O-N 3.06Å; F173-C177 VanDerWaalsContact CZ-SG 3.59Å; F173-C177 PolarHBondContact O-N 2.73Å; F173-C177 PolarHBondContact O-SG 3.12Å |
| 174 | Q | 95 | Very high | 90.4 | Very high | 107 Ų | 107 | 92.4 Ų | 92.4 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 175.7 | -73 | 170.7 | -12.1 | 0 | 0 | 111.8 | L170 C171 C177 A178 | L170-Q174 HydrophobicContact CD1-CG 4.36Å; L170-Q174 HydrophobicContact CG-CG 4.49Å; L170-Q174 VanDerWaalsContact O-CG 3.31Å; L170-Q174 WeakPolarHBondContact O-CG 3.47Å; L170-Q174 PolarHBondContact O-N 2.75Å; C171-Q174 PolarHBondContact O-N 3.44Å; Q174-C177 PolarHBondContact O-N 2.72Å; Q174-A178 WeakPolarHBondContact O-CB 3.46Å; Q174-A178 PolarHBondContact O-N 2.91Å |
| 175 | L | 94.4 | Very high | 90.4 | Very high | 106 Ų | 106 | 93 Ų | 93 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 175.5 | 178.9 | 63 | 0 | 0 | 0 | 111.3 | C171 L172 F173 C177 A178 V179 | C171-L175 WeakPolarHBondContact O-CB 3.21Å; C171-L175 PolarHBondContact O-N 3.49Å; L172-L175 PolarHBondContact O-N 3.48Å; F173-L175 VanDerWaalsContact C-N 3.29Å; F173-L175 PolarHBondContact O-N 3.43Å; L175-C177 PolarHBondContact O-N 2.98Å; L175-A178 PolarHBondContact O-N 2.85Å; L175-V179 HydrophobicContact CD1-CG2 4.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.38Å; L175-V179 PolarHBondContact O-N 2.74Å |
| 176 | E | 94.7 | Very high | 90.5 | Very high | 112 Ų | 112 | 93.7 Ų | 93.7 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 176.8 | -173.3 | 179.6 | 176.1 | 0 | 0 | 111.5 | L172 F173 A178 V179 Q180 | L172-E176 PolarHBondContact O-N 3.09Å; F173-E176 WeakPolarHBondContact O-CB 3.19Å; F173-E176 PolarHBondContact O-N 3.06Å; E176-A178 PolarHBondContact O-N 3.13Å; E176-V179 PolarHBondContact O-N 3.09Å; E176-Q180 WeakPolarHBondContact O-CG 3.49Å; E176-Q180 PolarHBondContact O-N 3.33Å |
| 177 | C | 94.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 94.6 Ų | 94.6 | 30% | 0.304 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | F173 Q174 L175 V179 Q180 V181 | F173-C177 VanDerWaalsContact CZ-SG 3.59Å; F173-C177 PolarHBondContact O-N 2.73Å; F173-C177 PolarHBondContact O-SG 3.12Å; Q174-C177 PolarHBondContact O-N 2.72Å; L175-C177 PolarHBondContact O-N 2.98Å; C177-V179 VanDerWaalsContact C-N 3.34Å; C177-V179 PolarHBondContact O-N 3.37Å; C177-Q180 PolarHBondContact O-N 2.94Å; C177-V181 WeakPolarHBondContact O-CG2 3.44Å; C177-V181 PolarHBondContact O-N 3.29Å |
| 178 | A | 93.8 | Very high | 90.6 | Very high | 52 Ų | 52 | 97.4 Ų | 97.4 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q174 L175 E176 V181 C182 | Q174-A178 WeakPolarHBondContact O-CB 3.46Å; Q174-A178 PolarHBondContact O-N 2.91Å; L175-A178 PolarHBondContact O-N 2.85Å; E176-A178 PolarHBondContact O-N 3.13Å; A178-V181 PolarHBondContact O-N 3.28Å; A178-C182 PolarHBondContact O-N 2.94Å; A178-C182 VanDerWaalsContact O-N 3.09Å; A178-C182 PolarHBondContact O-SG 3.38Å; A178-C182 VanDerWaalsContact O-SG 3.33Å |
| 179 | V | 93.7 | Very high | 90.5 | Very high | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111 | L175 E176 C177 V181 C182 I183 | L175-V179 HydrophobicContact CD1-CG2 4.3Å; L175-V179 WeakPolarHBondContact O-CG2 3.38Å; L175-V179 PolarHBondContact O-N 2.74Å; E176-V179 PolarHBondContact O-N 3.09Å; C177-V179 VanDerWaalsContact C-N 3.34Å; C177-V179 PolarHBondContact O-N 3.37Å; V179-V181 VanDerWaalsContact C-N 3.34Å; V179-V181 PolarHBondContact O-N 3.14Å; V179-C182 PolarHBondContact O-N 3.1Å; V179-I183 HydrophobicContact CG1-CD1 3.65Å; V179-I183 HydrophobicContact CG1-CG1 4.44Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.35Å; V179-I183 PolarHBondContact O-N 3.04Å; V179-I183 VanDerWaalsContact O-N 3.17Å |
| 180 | Q | 91.3 | Very high | 90.4 | Very high | 98 Ų | 98 | 103.1 Ų | 103.1 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.6 | -73.1 | 173.3 | 3.1 | 0 | 0 | 111.5 | E176 C177 C182 I183 Y184 | E176-Q180 WeakPolarHBondContact O-CG 3.49Å; E176-Q180 PolarHBondContact O-N 3.33Å; C177-Q180 PolarHBondContact O-N 2.94Å; Q180-C182 VanDerWaalsContact C-N 3.27Å; Q180-C182 PolarHBondContact O-N 2.97Å; Q180-I183 PolarHBondContact O-N 2.8Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.23Å |
| 181 | V | 91.1 | Very high | 90.1 | Very high | 109 Ų | 109 | 105 Ų | 105 | 66% | 0.661 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.2 | -32.4 | 177.5 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | C177 A178 V179 I183 | C177-V181 WeakPolarHBondContact O-CG2 3.44Å; C177-V181 PolarHBondContact O-N 3.29Å; A178-V181 PolarHBondContact O-N 3.28Å; V179-V181 VanDerWaalsContact C-N 3.34Å; V179-V181 PolarHBondContact O-N 3.14Å; V181-I183 VanDerWaalsContact C-N 3.35Å |
| 182 | C | 84.7 | Confident | 89.9 | Confident | 109 Ų | 109 | 109.5 Ų | 109.5 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -78 | -16.7 | 178 | -67.9 | 0 | 0 | 0 | 0 | 114.4 | A178 V179 Q180 | A178-C182 PolarHBondContact O-N 2.94Å; A178-C182 VanDerWaalsContact O-N 3.09Å; A178-C182 PolarHBondContact O-SG 3.38Å; A178-C182 VanDerWaalsContact O-SG 3.33Å; V179-C182 PolarHBondContact O-N 3.1Å; Q180-C182 VanDerWaalsContact C-N 3.27Å; Q180-C182 PolarHBondContact O-N 2.97Å |
| 183 | I | 82.2 | Confident | 89.5 | Confident | 128 Ų | 128 | 109.9 Ų | 109.9 | 66% | 0.656 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -88.4 | -17.7 | -180 | -68.4 | 168.5 | 0 | 0 | 0 | 111.7 | V179 Q180 V181 | V179-I183 HydrophobicContact CG1-CD1 3.65Å; V179-I183 HydrophobicContact CG1-CG1 4.44Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.35Å; V179-I183 PolarHBondContact O-N 3.04Å; V179-I183 VanDerWaalsContact O-N 3.17Å; Q180-I183 PolarHBondContact O-N 2.8Å; V181-I183 VanDerWaalsContact C-N 3.35Å |
| 184 | Y | 63.9 | Low | 89 | Confident | 257 Ų | 257 | 108.6 Ų | 108.6 | 100% | 1.008 | 57% | 0.57 | S | S | * | * | trans | -100.9 | 0 | 175.1 | -69.7 | -71.6 | 0 | 0 | 0 | 112.1 | Q180 | Q180-Y184 WeakPolarHBondContact O-CD2 3.23Š|
Retrieved 184 of 184 residues in 209.7 ms
(Link to these results)