| 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 | 46.5 | Very low | 54.5 | Low | 244 Ų | 244 | 165.8 Ų | 165.8 | 100% | 1.202 | 87% | 0.871 | S | S | * | * | 0 | 123.3 | 0 | -61.3 | 166 | 77.6 | 0 | 0 | 107.7 | |||||
| 2 | K | 48.4 | Very low | 53.8 | Low | 193 Ų | 193 | 167.8 Ų | 167.8 | 84% | 0.839 | 87% | 0.867 | S | S | * | * | trans | -130.2 | 119.8 | 172.8 | -92.7 | 156.7 | 68.7 | -175.9 | 0 | 106.8 | ||||
| 3 | A | 65.3 | Low | 52.6 | Low | 108 Ų | 108 | 166.2 Ų | 166.2 | 89% | 0.893 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 132.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 4 | F | 55.3 | Low | 52.4 | Low | 193 Ų | 193 | 161.3 Ų | 161.3 | 85% | 0.846 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 124.8 | 173.7 | -67.8 | -87.9 | 0 | 0 | 0 | 108.9 | P6 | F4-P6 WeakPolarHBondContact O-CD 3.44Š|
| 5 | S | 49.1 | Very low | 51.8 | Low | 114 Ų | 114 | 162.3 Ų | 162.3 | 80% | 0.797 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 127.6 | 169.7 | -85.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 6 | P | 61.4 | Low | 51.3 | Low | 130 Ų | 130 | 157.6 Ų | 157.6 | 84% | 0.844 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76 | 130.3 | 167.5 | -17 | 32.5 | 0 | 0 | 0 | 111.3 | F4 | F4-P6 WeakPolarHBondContact O-CD 3.44Š|
| 7 | V | 53.5 | Low | 51.2 | Low | 122 Ų | 122 | 159.6 Ų | 159.6 | 74% | 0.739 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 118.7 | 174 | -179 | 0 | 0 | 0 | 0 | 109.8 | ||
| 8 | R | 61.4 | Low | 51.1 | Low | 244 Ų | 244 | 159.3 Ų | 159.3 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | 61.8 | 113.4 | 156.3 | -67.1 | 176.9 | -179.5 | -139.2 | -0.5 | 118.8 | ||||
| 9 | S | 52.6 | Low | 51 | Low | 124 Ų | 124 | 158.6 Ų | 158.6 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | trans | -115.8 | 118.4 | 156 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | V | 49.9 | Very low | 50.8 | Low | 132 Ų | 132 | 157.5 Ų | 157.5 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | trans | -145.6 | 122.9 | 151.5 | 72.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 11 | R | 56.6 | Low | 50.7 | Low | 220 Ų | 220 | 153.6 Ų | 153.6 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -37.2 | 155.3 | 163.6 | -76.6 | 172.2 | -97.6 | -154.4 | -8.3 | 110 | ||||
| 12 | K | 45 | Very low | 50.8 | Low | 190 Ų | 190 | 148.4 Ų | 148.4 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | -169 | 142.6 | 56 | -26.6 | -172.6 | 173.3 | 173.5 | 0 | 110.7 | |||||
| 13 | N | 38.2 | Very low | 50.9 | Low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | 60.6 | 102.3 | 136.4 | -149.1 | 73.3 | 0 | 0 | 0 | 121.1 | ||||
| 14 | S | 49.7 | Very low | 50.4 | Low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 35.3 | 95.4 | 133.9 | -168.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 15 | L | 43.6 | Very low | 49.9 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -96.9 | 106.9 | 154.3 | -70.4 | 176.2 | 0 | 0 | 0 | 107.7 | ||||
| 16 | S | 44.5 | Very low | 49.8 | Very low | 87 Ų | 87 | 148.1 Ų | 148.1 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | -55.4 | 129.2 | 177.4 | 30.1 | 0 | 0 | 0 | 0 | 111.7 | H18 | S16-H18 PolarHBondContact O-N 3.25Å; S16-H18 PolarHBondContact O-ND1 3.07Å | ||
| 17 | E | 50 | Low | 49.3 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -47.4 | 109.7 | 154.2 | -70.8 | -157.3 | 97.5 | 0 | 0 | 109.6 | ||||
| 18 | H | 48.5 | Very low | 49.1 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -119.1 | 79.9 | 156.5 | 59.2 | -80.5 | 0 | 0 | 0 | 107.2 | S16 L20 | S16-H18 PolarHBondContact O-N 3.25Å; S16-H18 PolarHBondContact O-ND1 3.07Å; H18-L20 PolarHBondContact O-N 3.18Å | ||
| 19 | N | 49.8 | Very low | 48.7 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -62.1 | 93.4 | 154 | -171.5 | -12.4 | 0 | 0 | 0 | 107.6 | ||||
| 20 | L | 46.8 | Very low | 48.7 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | trans | -134 | 88.6 | 154.1 | -90.5 | 140.2 | 0 | 0 | 0 | 104.5 | H18 I22 | H18-L20 PolarHBondContact O-N 3.18Å; L20-I22 HydrophobicContact CB-CG1 4.26Å; L20-I22 PolarHBondContact O-N 3.36Å | ||
| 21 | G | 48.6 | Very low | 49.3 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -55.1 | 82.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | S23 | G21-S23 PolarHBondContact O-N 3.37Å; G21-S23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | I | 48.3 | Very low | 49.4 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 70% | 0.697 | 72% | 0.723 | S | S | * | * | trans | -81.3 | 87.9 | 161 | -58 | 171.1 | 0 | 0 | 0 | 103.6 | L20 R24 | L20-I22 HydrophobicContact CB-CG1 4.26Å; L20-I22 PolarHBondContact O-N 3.36Å; I22-R24 PolarHBondContact O-N 3.32Å | ||
| 23 | S | 50.9 | Low | 50.2 | Low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | trans | -38.4 | 108.2 | 157.7 | -171.7 | 0 | 0 | 0 | 0 | 107.2 | G21 S25 | G21-S23 PolarHBondContact O-N 3.37Å; G21-S23 VanDerWaalsContact O-N 3.08Å; S23-S25 PolarHBondContact O-N 3.38Å | ||
| 24 | R | 53.6 | Low | 51.4 | Low | 230 Ų | 230 | 124.6 Ų | 124.6 | 87% | 0.868 | 69% | 0.694 | S | S | * | * | trans | -70 | 65.7 | 168.5 | -84.3 | 176.6 | 155 | 170.4 | -4.8 | 107.5 | I22 K26 | I22-R24 PolarHBondContact O-N 3.32Å; R24-K26 PolarHBondContact O-N 3.44Å | ||
| 25 | S | 45.5 | Very low | 52 | Low | 87 Ų | 87 | 124 Ų | 124 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -69.9 | 83.8 | 150.8 | 51.1 | 0 | 0 | 0 | 0 | 105.6 | S23 T27 | S23-S25 PolarHBondContact O-N 3.38Å; S25-T27 PolarHBondContact O-N 2.95Å | ||
| 26 | K | 47.9 | Very low | 53 | Low | 189 Ų | 189 | 119.4 Ų | 119.4 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -58.6 | 89.5 | 160.9 | -90.3 | -176 | 169 | -172.4 | 0 | 106.6 | R24 | R24-K26 PolarHBondContact O-N 3.44Š| ||
| 27 | T | 49.6 | Very low | 54.5 | Low | 79 Ų | 79 | 124.8 Ų | 124.8 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | trans | -69 | 131.8 | 156.1 | 40 | 0 | 0 | 0 | 0 | 106.5 | S25 V29 D30 | S25-T27 PolarHBondContact O-N 2.95Å; T27-V29 PolarHBondContact O-N 2.99Å; T27-D30 PolarHBondContact OG1-OD2 3.42Å | ||
| 28 | P | 50.4 | Low | 56.2 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 81% | 0.805 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 14.3 | -177.2 | -18.8 | 31.1 | 0 | 0 | 0 | 115.2 | ||
| 29 | V | 52.9 | Low | 58.3 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -6.5 | -160.9 | -55.6 | 0 | 0 | 0 | 0 | 114.3 | T27 | T27-V29 PolarHBondContact O-N 2.99Š|
| 30 | D | 52.5 | Low | 60.3 | Low | 124 Ų | 124 | 114.4 Ų | 114.4 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -113.9 | 9.6 | -166.4 | -63.4 | -72.3 | 0 | 0 | 0 | 115.8 | T27 P32 | T27-D30 PolarHBondContact OG1-OD2 3.42Å; D30-P32 WeakPolarHBondContact O-CD 3.46Å |
| 31 | D | 61.7 | Low | 62.5 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 44% | 0.444 | 60% | 0.601 | S | S | . | * | trans | -110.7 | 98.8 | 168.6 | -174.4 | 46.6 | 0 | 0 | 0 | 109.8 | M33 S34 | D31-M33 PolarHBondContact O-N 3.49Å; D31-S34 WeakPolarHBondContact O-CB 3.34Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact OD2-N 3.01Å | ||
| 32 | P | 59.9 | Low | 64.6 | Low | 112 Ų | 112 | 108.3 Ų | 108.3 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -24 | 178 | -23.6 | 32.2 | 0 | 0 | 0 | 112.9 | D30 | D30-P32 WeakPolarHBondContact O-CD 3.46Š|
| 33 | M | 61 | Low | 66.8 | Low | 118 Ų | 118 | 103.8 Ų | 103.8 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.6 | 178.1 | -62 | -63.3 | -77.9 | 0 | 0 | 113.1 | D31 L35 L36 | D31-M33 PolarHBondContact O-N 3.49Å; M33-L35 PolarHBondContact O-N 3.46Å; M33-L36 HydrophobicContact CE-CD1 3.42Å; M33-L36 VanDerWaalsContact CE-CD1 3.42Å; M33-L36 WeakPolarHBondContact O-CB 3.25Å; M33-L36 PolarHBondContact O-N 3.41Å; M33-L36 HydrophobicContact SD-CD1 3.55Å; M33-L36 VanDerWaalsContact SD-CD1 3.55Å |
| 34 | S | 64.1 | Low | 68.8 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -63.2 | -25 | 176 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | D31 L36 Y37 | D31-S34 WeakPolarHBondContact O-CB 3.34Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact OD2-N 3.01Å; S34-L36 PolarHBondContact O-N 3.33Å; S34-Y37 WeakPolarHBondContact O-CD2 3.47Å |
| 35 | L | 61.7 | Low | 70.7 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 45% | 0.445 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -64.8 | -20.8 | 174.3 | -154.8 | 79.5 | 0 | 0 | 0 | 112.2 | M33 D41 | M33-L35 PolarHBondContact O-N 3.46Å; L35-D41 HydrophobicContact CD1-CB 4.4Å; L35-D41 HydrophobicContact CG-CB 3.94Å; L35-D41 WeakPolarHBondContact O-CB 3.32Å |
| 36 | L | 65.7 | Low | 73.1 | Confident | 80 Ų | 80 | 93.3 Ų | 93.3 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -88.3 | -5.2 | -173.8 | -56.4 | 177.5 | 0 | 0 | 0 | 114.2 | M33 S34 N38 C42 | M33-L36 HydrophobicContact CE-CD1 3.42Å; M33-L36 VanDerWaalsContact CE-CD1 3.42Å; M33-L36 WeakPolarHBondContact O-CB 3.25Å; M33-L36 PolarHBondContact O-N 3.41Å; M33-L36 HydrophobicContact SD-CD1 3.55Å; M33-L36 VanDerWaalsContact SD-CD1 3.55Å; S34-L36 PolarHBondContact O-N 3.33Å; L36-N38 PolarHBondContact O-N 3.11Å; L36-C42 VanDerWaalsContact CD2-SG 3.56Å |
| 37 | Y | 74.6 | Confident | 75.3 | Confident | 201 Ų | 201 | 86.2 Ų | 86.2 | 79% | 0.788 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -72.8 | -18.2 | 175.2 | -67.9 | -65.9 | 0 | 0 | 0 | 112.7 | S34 | S34-Y37 WeakPolarHBondContact O-CD2 3.47Š|
| 38 | N | 86.5 | Confident | 77.5 | Confident | 67 Ų | 67 | 88.2 Ų | 88.2 | 36% | 0.358 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -108.6 | 119.3 | 173.7 | 174.7 | 22.4 | 0 | 0 | 0 | 110.5 | L36 N40 D41 C42 | L36-N38 PolarHBondContact O-N 3.11Å; N38-N40 PolarHBondContact O-N 3.26Å; N38-N40 VanDerWaalsContact O-N 3.15Å; N38-N40 PolarHBondContact OD1-N 3.02Å; N38-D41 HydrophobicContact CB-CB 4.41Å; N38-D41 WeakPolarHBondContact CB-OD2 3.45Å; N38-D41 PolarHBondContact ND2-OD1 3.2Å; N38-D41 PolarHBondContact ND2-OD2 3.4Å; N38-D41 PolarHBondContact O-N 3.38Å; N38-D41 VanDerWaalsContact O-N 3.09Å; N38-C42 PolarHBondContact O-N 3.15Å |
| 39 | M | 92.3 | Very high | 79.7 | Confident | 120 Ų | 120 | 87 Ų | 87 | 59% | 0.591 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.5 | -30.2 | -176.5 | -162.8 | 60.6 | 63.2 | 0 | 0 | 113.1 | C42 Y43 | M39-C42 WeakPolarHBondContact O-CB 3.49Å; M39-Y43 HydrophobicContact CG-CD2 4.46Å; M39-Y43 HydrophobicContact CG-CE2 3.88Å; M39-Y43 WeakPolarHBondContact O-CD2 3.48Å; M39-Y43 PolarHBondContact O-N 3.33Å |
| 40 | N | 92 | Very high | 81.8 | Confident | 87 Ų | 87 | 81.8 Ų | 81.8 | 47% | 0.465 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -73.4 | -29.1 | -179.8 | -64.2 | -37.5 | 0 | 0 | 0 | 112.7 | N38 Y43 S44 K61 | N38-N40 PolarHBondContact O-N 3.26Å; N38-N40 VanDerWaalsContact O-N 3.15Å; N38-N40 PolarHBondContact OD1-N 3.02Å; N40-Y43 PolarHBondContact O-N 3.33Å; N40-S44 PolarHBondContact O-N 3.22Å; N40-S44 VanDerWaalsContact O-N 3.11Å; N40-S44 PolarHBondContact O-OG 2.84Å; N40-S44 VanDerWaalsContact O-OG 3.06Å; N40-K61 PolarHBondContact OD1-NZ 2.93Å |
| 41 | D | 91.9 | Very high | 83.8 | Confident | 56 Ų | 56 | 81 Ų | 81 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -74.6 | -33.1 | 178 | -59.5 | -21.2 | 0 | 0 | 0 | 110.2 | L35 N38 Y43 S44 K45 | L35-D41 HydrophobicContact CD1-CB 4.4Å; L35-D41 HydrophobicContact CG-CB 3.94Å; L35-D41 WeakPolarHBondContact O-CB 3.32Å; N38-D41 HydrophobicContact CB-CB 4.41Å; N38-D41 WeakPolarHBondContact CB-OD2 3.45Å; N38-D41 PolarHBondContact ND2-OD1 3.2Å; N38-D41 PolarHBondContact ND2-OD2 3.4Å; N38-D41 PolarHBondContact O-N 3.38Å; N38-D41 VanDerWaalsContact O-N 3.09Å; D41-Y43 PolarHBondContact O-N 3.46Å; D41-S44 WeakPolarHBondContact O-CB 3.33Å; D41-S44 PolarHBondContact O-N 3.03Å; D41-S44 VanDerWaalsContact O-N 3.17Å; D41-K45 PolarHBondContact O-N 3.26Å |
| 42 | C | 93.6 | Very high | 85.4 | Confident | 27 Ų | 27 | 80.2 Ų | 80.2 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55.7 | -49.3 | 168.7 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | L36 N38 M39 S44 K45 L46 | L36-C42 VanDerWaalsContact CD2-SG 3.56Å; N38-C42 PolarHBondContact O-N 3.15Å; M39-C42 WeakPolarHBondContact O-CB 3.49Å; C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 3.1Å; C42-K45 PolarHBondContact O-N 2.99Å; C42-L46 VanDerWaalsContact O-CG 3.29Å; C42-L46 WeakPolarHBondContact O-CG 3.39Å; C42-L46 PolarHBondContact O-N 3.12Å |
| 43 | Y | 94.4 | Very high | 87.1 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 17% | 0.165 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 177.2 | -72.9 | -68.6 | 0 | 0 | 0 | 112.7 | M39 N40 D41 L46 K47 K61 I64 L65 | M39-Y43 HydrophobicContact CG-CD2 4.46Å; M39-Y43 HydrophobicContact CG-CE2 3.88Å; M39-Y43 WeakPolarHBondContact O-CD2 3.48Å; M39-Y43 PolarHBondContact O-N 3.33Å; N40-Y43 PolarHBondContact O-N 3.33Å; D41-Y43 PolarHBondContact O-N 3.46Å; Y43-L46 HydrophobicContact CD1-CD1 4.25Å; Y43-L46 PolarHBondContact O-N 3.4Å; Y43-K47 WeakPolarHBondContact O-CG 3.43Å; Y43-K47 PolarHBondContact O-N 3.36Å; Y43-K47 VanDerWaalsContact O-N 3.12Å; Y43-K61 HydrophobicContact CD1-CG 4.3Å; Y43-K61 HydrophobicContact CD2-CD 4.08Å; Y43-K61 HydrophobicContact CD2-CG 4.07Å; Y43-K61 HydrophobicContact CE1-CB 3.88Å; Y43-K61 HydrophobicContact CE1-CG 3.98Å; Y43-K61 HydrophobicContact CE2-CB 4.36Å; Y43-K61 HydrophobicContact CE2-CD 3.47Å; Y43-K61 VanDerWaalsContact CE2-CD 3.47Å; Y43-K61 HydrophobicContact CE2-CG 3.73Å; Y43-K61 HydrophobicContact CG-CG 4.35Å; Y43-I64 HydrophobicContact CD1-CB 4.23Å; Y43-I64 HydrophobicContact CD1-CD1 4.05Å; Y43-I64 HydrophobicContact CD1-CG2 3.86Å; Y43-I64 HydrophobicContact CE1-CG2 4.48Å; Y43-I64 HydrophobicContact CG-CD1 4.48Å; Y43-L65 HydrophobicContact CE1-CD2 4.17Å; Y43-L65 HydrophobicContact CE1-CG 4.21Å |
| 44 | S | 92.8 | Very high | 88.7 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 46% | 0.462 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.6 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | N40 D41 C42 L46 K47 E48 | N40-S44 PolarHBondContact O-N 3.22Å; N40-S44 VanDerWaalsContact O-N 3.11Å; N40-S44 PolarHBondContact O-OG 2.84Å; N40-S44 VanDerWaalsContact O-OG 3.06Å; D41-S44 WeakPolarHBondContact O-CB 3.33Å; D41-S44 PolarHBondContact O-N 3.03Å; D41-S44 VanDerWaalsContact O-N 3.17Å; C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 3.1Å; S44-L46 PolarHBondContact O-N 3.26Å; S44-K47 WeakPolarHBondContact O-CB 3.14Å; S44-K47 PolarHBondContact O-N 3.31Å; S44-E48 PolarHBondContact O-N 3.24Å |
| 45 | K | 94.2 | Very high | 90 | Very high | 81 Ų | 81 | 75.2 Ų | 75.2 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 175.1 | -167.5 | 71.2 | -159.4 | 162 | 0 | 112.4 | D41 C42 K47 E48 L49 | D41-K45 PolarHBondContact O-N 3.26Å; C42-K45 PolarHBondContact O-N 2.99Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 3.31Å; K45-E48 IonicContact NZ-OE2 2.75Å; K45-E48 PolarHBondContact NZ-OE2 2.75Å; K45-E48 WeakPolarHBondContact O-CB 3.35Å; K45-E48 PolarHBondContact O-N 2.93Å; K45-E48 VanDerWaalsContact O-N 3.1Å; K45-L49 HydrophobicContact CG-CD1 4.02Å; K45-L49 HydrophobicContact CG-CG 4.46Å; K45-L49 WeakPolarHBondContact O-CG 3.43Å; K45-L49 PolarHBondContact O-N 3.02Å; K45-L49 VanDerWaalsContact O-N 3.11Å |
| 46 | L | 95.6 | Very high | 91.3 | Very high | 46 Ų | 46 | 79.4 Ų | 79.4 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 175.6 | -67.1 | 169.5 | 0 | 0 | 0 | 111.6 | C42 Y43 S44 E48 L49 V50 I64 V68 | C42-L46 VanDerWaalsContact O-CG 3.29Å; C42-L46 WeakPolarHBondContact O-CG 3.39Å; C42-L46 PolarHBondContact O-N 3.12Å; Y43-L46 HydrophobicContact CD1-CD1 4.25Å; Y43-L46 PolarHBondContact O-N 3.4Å; S44-L46 PolarHBondContact O-N 3.26Å; L46-E48 PolarHBondContact O-N 3.05Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.21Å; L46-I64 HydrophobicContact CB-CG2 3.91Å; L46-I64 HydrophobicContact CD1-CG2 4.08Å; L46-V68 HydrophobicContact CB-CG2 4.07Å; L46-V68 HydrophobicContact CD1-CG2 4.17Å; L46-V68 HydrophobicContact CD2-CG1 4.28Å; L46-V68 HydrophobicContact CD2-CG2 3.79Å; L46-V68 HydrophobicContact CG-CG2 4.21Å |
| 47 | K | 94.8 | Very high | 92.5 | Very high | 40 Ų | 40 | 82.4 Ų | 82.4 | 17% | 0.174 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.6 | -25.5 | 174.5 | -68.4 | -177.1 | 59.3 | 176 | 0 | 113.9 | Y43 S44 K45 I53 P54 Q55 K57 I64 | Y43-K47 WeakPolarHBondContact O-CG 3.43Å; Y43-K47 PolarHBondContact O-N 3.36Å; Y43-K47 VanDerWaalsContact O-N 3.12Å; S44-K47 WeakPolarHBondContact O-CB 3.14Å; S44-K47 PolarHBondContact O-N 3.31Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 3.31Å; K47-I53 HydrophobicContact CB-CG2 4.4Å; K47-I53 HydrophobicContact CG-CG2 3.81Å; K47-P54 WeakPolarHBondContact CE-O 3.22Å; K47-P54 PolarHBondContact NZ-O 3.02Å; K47-Q55 PolarHBondContact NZ-O 3.41Å; K47-Q55 PolarHBondContact O-NE2 2.87Å; K47-Q55 VanDerWaalsContact O-NE2 3.15Å; K47-K57 PolarHBondContact NZ-O 2.93Å; K47-I64 HydrophobicContact CD-CD1 4.24Å; K47-I64 HydrophobicContact CG-CD1 4.14Å; K47-I64 HydrophobicContact CG-CG1 4.48Å |
| 48 | E | 94.9 | Very high | 93.3 | Very high | 121 Ų | 121 | 82.4 Ų | 82.4 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -80 | -36.5 | 174.8 | -66.7 | -180 | 172.8 | 0 | 0 | 112.2 | S44 K45 L46 | S44-E48 PolarHBondContact O-N 3.24Å; K45-E48 IonicContact NZ-OE2 2.75Å; K45-E48 PolarHBondContact NZ-OE2 2.75Å; K45-E48 WeakPolarHBondContact O-CB 3.35Å; K45-E48 PolarHBondContact O-N 2.93Å; K45-E48 VanDerWaalsContact O-N 3.1Å; L46-E48 PolarHBondContact O-N 3.05Å |
| 49 | L | 95.9 | Very high | 93.7 | Very high | 98 Ų | 98 | 80.2 Ų | 80.2 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -85.2 | -27.2 | -172.6 | -67.2 | 174.7 | 0 | 0 | 0 | 113.7 | K45 L46 P51 Y71 | K45-L49 HydrophobicContact CG-CD1 4.02Å; K45-L49 HydrophobicContact CG-CG 4.46Å; K45-L49 WeakPolarHBondContact O-CG 3.43Å; K45-L49 PolarHBondContact O-N 3.02Å; K45-L49 VanDerWaalsContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 3.03Å; L49-P51 WeakPolarHBondContact O-CD 3.46Å; L49-Y71 WeakPolarHBondContact O-CE1 3.34Å |
| 50 | V | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.03 | 41% | 0.408 | C | S | . | . | trans | -99.9 | 112.2 | -176 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | L46 S52 I53 H67 V68 Y71 | L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.21Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 WeakPolarHBondContact CG1-OG 3.29Å; V50-S52 PolarHBondContact O-N 3.47Å; V50-I53 HydrophobicContact CB-CD1 3.61Å; V50-I53 HydrophobicContact CB-CG1 3.83Å; V50-I53 HydrophobicContact CG1-CD1 3.87Å; V50-I53 HydrophobicContact CG1-CG1 3.72Å; V50-I53 HydrophobicContact CG2-CD1 4.07Å; V50-I53 PolarHBondContact O-N 2.93Å; V50-H67 HydrophobicContact CG1-CB 4.11Å; V50-V68 HydrophobicContact CG2-CB 4.46Å; V50-V68 HydrophobicContact CG2-CG2 3.67Å; V50-Y71 HydrophobicContact CB-CD1 4.42Å; V50-Y71 HydrophobicContact CG1-CD1 4.38Å; V50-Y71 HydrophobicContact CG1-CG 4.18Å; V50-Y71 HydrophobicContact CG2-CD1 3.92Å; V50-Y71 HydrophobicContact CG2-CG 4.47Å | ||
| 51 | P | 95.9 | Very high | 94.2 | Very high | 107 Ų | 107 | 78.2 Ų | 78.2 | 70% | 0.695 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.3 | -172.9 | -24.2 | 33.9 | 0 | 0 | 0 | 115.1 | L49 I53 Y71 | L49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-I53 VanDerWaalsContact C-N 3.33Å; P51-Y71 HydrophobicContact CG-CE2 4.09Å |
| 52 | S | 95 | Very high | 94.5 | Very high | 67 Ų | 67 | 81.1 Ų | 81.1 | 47% | 0.469 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.7 | -177.3 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | V50 P54 H67 | V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 WeakPolarHBondContact CG1-OG 3.29Å; V50-S52 PolarHBondContact O-N 3.47Å; S52-P54 WeakPolarHBondContact O-CD 3.39Å; S52-H67 PolarHBondContact OG-ND1 3.08Å |
| 53 | I | 96.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 83.4 Ų | 83.4 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -87.9 | 124.2 | -174.5 | -54.6 | 179.3 | 0 | 0 | 0 | 111.2 | K47 V50 P51 Q55 V59 I64 H67 V68 | K47-I53 HydrophobicContact CB-CG2 4.4Å; K47-I53 HydrophobicContact CG-CG2 3.81Å; V50-I53 HydrophobicContact CB-CD1 3.61Å; V50-I53 HydrophobicContact CB-CG1 3.83Å; V50-I53 HydrophobicContact CG1-CD1 3.87Å; V50-I53 HydrophobicContact CG1-CG1 3.72Å; V50-I53 HydrophobicContact CG2-CD1 4.07Å; V50-I53 PolarHBondContact O-N 2.93Å; P51-I53 VanDerWaalsContact C-N 3.33Å; I53-Q55 PolarHBondContact O-N 3.36Å; I53-V59 HydrophobicContact CG2-CG1 4.34Å; I53-V59 HydrophobicContact CG2-CG2 4.14Å; I53-I64 HydrophobicContact CD1-CB 4.38Å; I53-I64 HydrophobicContact CD1-CG1 4.48Å; I53-I64 HydrophobicContact CD1-CG2 3.94Å; I53-I64 HydrophobicContact CG2-CG1 4.41Å; I53-H67 HydrophobicContact CD1-CB 3.72Å; I53-H67 HydrophobicContact CG1-CB 3.45Å; I53-H67 VanDerWaalsContact CG1-CB 3.45Å; I53-V68 HydrophobicContact CD1-CG2 4.46Å |
| 54 | P | 94.1 | Very high | 94.8 | Very high | 59 Ų | 59 | 81.7 Ų | 81.7 | 38% | 0.383 | 42% | 0.422 | S | S | . | . | trans | -63.9 | 121.2 | 176.3 | -22.9 | 33.4 | 0 | 0 | 0 | 113.2 | K47 S52 K57 V59 | K47-P54 WeakPolarHBondContact CE-O 3.22Å; K47-P54 PolarHBondContact NZ-O 3.02Å; S52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-K57 HydrophobicContact CB-CB 4.2Å; P54-V59 HydrophobicContact CB-CG2 4.39Å; P54-V59 HydrophobicContact CG-CG2 4.46Å | ||
| 55 | Q | 90.8 | Very high | 95 | Very high | 117 Ų | 117 | 82 Ų | 82 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -41.3 | -179.8 | -65.6 | -173.9 | -25.2 | 0 | 0 | 112.8 | K47 I53 K57 | K47-Q55 PolarHBondContact NZ-O 3.41Å; K47-Q55 PolarHBondContact O-NE2 2.87Å; K47-Q55 VanDerWaalsContact O-NE2 3.15Å; I53-Q55 PolarHBondContact O-N 3.36Å; Q55-K57 VanDerWaalsContact C-N 3.27Å; Q55-K57 PolarHBondContact O-N 3.19Å |
| 56 | N | 89.5 | Confident | 95.2 | Very high | 174 Ų | 174 | 82.8 Ų | 82.8 | 93% | 0.93 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 10.2 | -173.8 | -61.7 | -28.7 | 0 | 0 | 0 | 114.5 | ||
| 57 | K | 89.9 | Confident | 95.4 | Very high | 142 Ų | 142 | 82.8 Ų | 82.8 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -128.4 | 153.8 | -179.6 | -179.1 | 176.4 | 162 | 176.1 | 0 | 111.1 | K47 P54 Q55 V59 | K47-K57 PolarHBondContact NZ-O 2.93Å; P54-K57 HydrophobicContact CB-CB 4.2Å; Q55-K57 VanDerWaalsContact C-N 3.27Å; Q55-K57 PolarHBondContact O-N 3.19Å; K57-V59 PolarHBondContact O-N 3.22Å |
| 58 | K | 92.7 | Very high | 95.5 | Very high | 201 Ų | 201 | 81.9 Ų | 81.9 | 87% | 0.874 | 42% | 0.419 | S | S | * | . | trans | -72 | 116.5 | 166.9 | -65.8 | -170.6 | 177.7 | -177.4 | 0 | 109.2 | ||||
| 59 | V | 94.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 80.9 Ų | 80.9 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | trans | -113.7 | 140 | 176.5 | -176 | 0 | 0 | 0 | 0 | 106.8 | I53 P54 K57 E63 I64 | I53-V59 HydrophobicContact CG2-CG1 4.34Å; I53-V59 HydrophobicContact CG2-CG2 4.14Å; P54-V59 HydrophobicContact CB-CG2 4.39Å; P54-V59 HydrophobicContact CG-CG2 4.46Å; K57-V59 PolarHBondContact O-N 3.22Å; V59-E63 HydrophobicContact CG1-CB 3.78Å; V59-E63 HydrophobicContact CG1-CG 3.62Å; V59-I64 HydrophobicContact CB-CD1 4.43Å; V59-I64 HydrophobicContact CB-CG1 4.08Å; V59-I64 HydrophobicContact CG1-CG1 3.73Å | ||
| 60 | S | 97.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 80.4 Ų | 80.4 | 43% | 0.427 | 42% | 0.415 | S | S | . | . | trans | -69.9 | 154.3 | -179.8 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | M62 E63 I64 | S60-M62 PolarHBondContact O-N 3.12Å; S60-E63 PolarHBondContact O-N 3.35Å; S60-E63 WeakPolarHBondContact OG-CB 3.19Å; S60-E63 PolarHBondContact OG-N 3.05Å; S60-E63 VanDerWaalsContact OG-N 3.12Å; S60-I64 WeakPolarHBondContact O-CG1 3.32Å; S60-I64 PolarHBondContact O-N 3.24Å | ||
| 61 | K | 96.4 | Very high | 95.8 | Very high | 103 Ų | 103 | 83.8 Ų | 83.8 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57 | -38.2 | 175.9 | -71.5 | -177.6 | 173.6 | -175.1 | 0 | 111.8 | N40 Y43 L65 | N40-K61 PolarHBondContact OD1-NZ 2.93Å; Y43-K61 HydrophobicContact CD1-CG 4.3Å; Y43-K61 HydrophobicContact CD2-CD 4.08Å; Y43-K61 HydrophobicContact CD2-CG 4.07Å; Y43-K61 HydrophobicContact CE1-CB 3.88Å; Y43-K61 HydrophobicContact CE1-CG 3.98Å; Y43-K61 HydrophobicContact CE2-CB 4.36Å; Y43-K61 HydrophobicContact CE2-CD 3.47Å; Y43-K61 VanDerWaalsContact CE2-CD 3.47Å; Y43-K61 HydrophobicContact CE2-CG 3.73Å; Y43-K61 HydrophobicContact CG-CG 4.35Å; K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.12Å; K61-L65 VanDerWaalsContact O-N 3.11Å |
| 62 | M | 98 | Very high | 95.9 | Very high | 118 Ų | 118 | 82.7 Ų | 82.7 | 58% | 0.581 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.5 | -48.1 | 177.9 | -177.6 | 62.8 | -171.9 | 0 | 0 | 111.8 | S60 I64 L65 Q66 | S60-M62 PolarHBondContact O-N 3.12Å; M62-I64 VanDerWaalsContact C-N 3.32Å; M62-I64 PolarHBondContact O-N 3.4Å; M62-L65 WeakPolarHBondContact O-CB 3.34Å; M62-L65 PolarHBondContact O-N 3.03Å; M62-L65 VanDerWaalsContact O-N 3.08Å; M62-Q66 HydrophobicContact CE-CG 4.13Å; M62-Q66 WeakPolarHBondContact O-CG 3.39Å; M62-Q66 PolarHBondContact O-N 3.06Å |
| 63 | E | 97.6 | Very high | 96 | Very high | 74 Ų | 74 | 83.5 Ų | 83.5 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 179.6 | -174.7 | -179.8 | 172.6 | 0 | 0 | 111.4 | V59 S60 L65 Q66 H67 | V59-E63 HydrophobicContact CG1-CB 3.78Å; V59-E63 HydrophobicContact CG1-CG 3.62Å; S60-E63 PolarHBondContact O-N 3.35Å; S60-E63 WeakPolarHBondContact OG-CB 3.19Å; S60-E63 PolarHBondContact OG-N 3.05Å; S60-E63 VanDerWaalsContact OG-N 3.12Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 3.06Å; E63-Q66 PolarHBondContact O-N 3.11Å; E63-H67 PolarHBondContact O-CD2 3.46Å; E63-H67 PolarHBondContact O-N 3.34Å; E63-H67 VanDerWaalsContact O-N 3.12Å |
| 64 | I | 97.3 | Very high | 96 | Very high | 7 Ų | 7 | 88 Ų | 88 | 4% | 0.036 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 170.7 | -67.1 | 168.7 | 0 | 0 | 0 | 110.8 | Y43 L46 K47 I53 V59 S60 M62 Q66 H67 V68 | Y43-I64 HydrophobicContact CD1-CB 4.23Å; Y43-I64 HydrophobicContact CD1-CD1 4.05Å; Y43-I64 HydrophobicContact CD1-CG2 3.86Å; Y43-I64 HydrophobicContact CE1-CG2 4.48Å; Y43-I64 HydrophobicContact CG-CD1 4.48Å; L46-I64 HydrophobicContact CB-CG2 3.91Å; L46-I64 HydrophobicContact CD1-CG2 4.08Å; K47-I64 HydrophobicContact CD-CD1 4.24Å; K47-I64 HydrophobicContact CG-CD1 4.14Å; K47-I64 HydrophobicContact CG-CG1 4.48Å; I53-I64 HydrophobicContact CD1-CB 4.38Å; I53-I64 HydrophobicContact CD1-CG1 4.48Å; I53-I64 HydrophobicContact CD1-CG2 3.94Å; I53-I64 HydrophobicContact CG2-CG1 4.41Å; V59-I64 HydrophobicContact CB-CD1 4.43Å; V59-I64 HydrophobicContact CB-CG1 4.08Å; V59-I64 HydrophobicContact CG1-CG1 3.73Å; S60-I64 WeakPolarHBondContact O-CG1 3.32Å; S60-I64 PolarHBondContact O-N 3.24Å; M62-I64 VanDerWaalsContact C-N 3.32Å; M62-I64 PolarHBondContact O-N 3.4Å; I64-Q66 VanDerWaalsContact C-N 3.33Å; I64-Q66 PolarHBondContact O-N 3.44Å; I64-H67 PolarHBondContact O-N 2.99Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.11Å |
| 65 | L | 98.2 | Very high | 96.1 | Very high | 73 Ų | 73 | 88.6 Ų | 88.6 | 38% | 0.382 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | -179.3 | -68.4 | 175.1 | 0 | 0 | 0 | 112.4 | Y43 K61 M62 E63 V68 I69 | Y43-L65 HydrophobicContact CE1-CD2 4.17Å; Y43-L65 HydrophobicContact CE1-CG 4.21Å; K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.12Å; K61-L65 VanDerWaalsContact O-N 3.11Å; M62-L65 WeakPolarHBondContact O-CB 3.34Å; M62-L65 PolarHBondContact O-N 3.03Å; M62-L65 VanDerWaalsContact O-N 3.08Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 3.06Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.1Å |
| 66 | Q | 98.4 | Very high | 96.2 | Very high | 96 Ų | 96 | 88.4 Ų | 88.4 | 45% | 0.449 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.9 | -51.2 | 175.7 | -71.1 | 175.2 | -44.6 | 0 | 0 | 111.4 | M62 E63 I64 V68 I69 D70 | M62-Q66 HydrophobicContact CE-CG 4.13Å; M62-Q66 WeakPolarHBondContact O-CG 3.39Å; M62-Q66 PolarHBondContact O-N 3.06Å; E63-Q66 PolarHBondContact O-N 3.11Å; I64-Q66 VanDerWaalsContact C-N 3.33Å; I64-Q66 PolarHBondContact O-N 3.44Å; Q66-V68 PolarHBondContact O-N 2.98Å; Q66-I69 PolarHBondContact O-N 3.28Å; Q66-I69 VanDerWaalsContact O-N 3.1Å; Q66-D70 PolarHBondContact O-N 3.12Å |
| 67 | H | 98.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 85.8 Ų | 85.8 | 22% | 0.218 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.8 | -33.7 | 177 | -74.5 | -61.1 | 0 | 0 | 0 | 113.3 | V50 S52 I53 E63 I64 Y71 | V50-H67 HydrophobicContact CG1-CB 4.11Å; S52-H67 PolarHBondContact OG-ND1 3.08Å; I53-H67 HydrophobicContact CD1-CB 3.72Å; I53-H67 HydrophobicContact CG1-CB 3.45Å; I53-H67 VanDerWaalsContact CG1-CB 3.45Å; E63-H67 PolarHBondContact O-CD2 3.46Å; E63-H67 PolarHBondContact O-N 3.34Å; E63-H67 VanDerWaalsContact O-N 3.12Å; I64-H67 PolarHBondContact O-N 2.99Å; H67-Y71 WeakPolarHBondContact O-CB 3.4Å; H67-Y71 PolarHBondContact O-N 3.37Å |
| 68 | V | 98.1 | Very high | 96.5 | Very high | 21 Ų | 21 | 81.9 Ų | 81.9 | 13% | 0.127 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | L46 V50 I53 I64 L65 Q66 Y71 I72 | L46-V68 HydrophobicContact CB-CG2 4.07Å; L46-V68 HydrophobicContact CD1-CG2 4.17Å; L46-V68 HydrophobicContact CD2-CG1 4.28Å; L46-V68 HydrophobicContact CD2-CG2 3.79Å; L46-V68 HydrophobicContact CG-CG2 4.21Å; V50-V68 HydrophobicContact CG2-CB 4.46Å; V50-V68 HydrophobicContact CG2-CG2 3.67Å; I53-V68 HydrophobicContact CD1-CG2 4.46Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.11Å; L65-V68 PolarHBondContact O-N 3.43Å; Q66-V68 PolarHBondContact O-N 2.98Å; V68-Y71 PolarHBondContact O-N 3.38Å; V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.29Å; V68-I72 PolarHBondContact O-N 3.23Å |
| 69 | I | 98.2 | Very high | 96.4 | Very high | 100 Ų | 100 | 76.1 Ų | 76.1 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 176.6 | -69.4 | 163.1 | 0 | 0 | 0 | 109.6 | L65 Q66 Y71 I72 L73 | L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.1Å; Q66-I69 PolarHBondContact O-N 3.28Å; Q66-I69 VanDerWaalsContact O-N 3.1Å; I69-Y71 VanDerWaalsContact C-N 3.32Å; I69-Y71 PolarHBondContact O-N 3.46Å; I69-I72 PolarHBondContact O-N 3.17Å; I69-L73 HydrophobicContact CG2-CD1 3.93Å; I69-L73 HydrophobicContact CG2-CG 4.47Å; I69-L73 WeakPolarHBondContact O-CG 3.18Å; I69-L73 PolarHBondContact O-N 2.81Å |
| 70 | D | 98 | Very high | 95.9 | Very high | 88 Ų | 88 | 81.8 Ų | 81.8 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 180 | -64.6 | -23.2 | 0 | 0 | 0 | 111.2 | Q66 I72 L73 D74 | Q66-D70 PolarHBondContact O-N 3.12Å; D70-I72 PolarHBondContact O-N 3.41Å; D70-L73 PolarHBondContact O-N 3.41Å; D70-D74 PolarHBondContact O-N 3.38Å |
| 71 | Y | 98.3 | Very high | 95.1 | Very high | 76 Ų | 76 | 83 Ų | 83 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.5 | -176.5 | -126.8 | 0 | 0 | 0 | 113.2 | L49 V50 P51 H67 V68 I69 L75 | L49-Y71 WeakPolarHBondContact O-CE1 3.34Å; V50-Y71 HydrophobicContact CB-CD1 4.42Å; V50-Y71 HydrophobicContact CG1-CD1 4.38Å; V50-Y71 HydrophobicContact CG1-CG 4.18Å; V50-Y71 HydrophobicContact CG2-CD1 3.92Å; V50-Y71 HydrophobicContact CG2-CG 4.47Å; P51-Y71 HydrophobicContact CG-CE2 4.09Å; H67-Y71 WeakPolarHBondContact O-CB 3.4Å; H67-Y71 PolarHBondContact O-N 3.37Å; V68-Y71 PolarHBondContact O-N 3.38Å; I69-Y71 VanDerWaalsContact C-N 3.32Å; I69-Y71 PolarHBondContact O-N 3.46Å; Y71-L75 HydrophobicContact CD1-CD1 4.03Å; Y71-L75 HydrophobicContact CD2-CD1 4.39Å; Y71-L75 HydrophobicContact CD2-CG 4.22Å; Y71-L75 HydrophobicContact CE1-CD1 3.63Å; Y71-L75 HydrophobicContact CE1-CG 4.43Å; Y71-L75 HydrophobicContact CE2-CD1 3.99Å; Y71-L75 HydrophobicContact CE2-CD2 4.05Å; Y71-L75 HydrophobicContact CE2-CG 3.9Å; Y71-L75 HydrophobicContact CG-CD1 4.41Å; Y71-L75 WeakPolarHBondContact O-CB 3.44Å; Y71-L75 VanDerWaalsContact O-CG 3.25Å; Y71-L75 WeakPolarHBondContact O-CG 3.48Å; Y71-L75 PolarHBondContact O-N 3.15Å |
| 72 | I | 97.7 | Very high | 93.9 | Very high | 83 Ų | 83 | 83.4 Ų | 83.4 | 43% | 0.426 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.6 | -70.7 | 168 | 0 | 0 | 0 | 110.5 | V68 I69 D70 L75 Q76 | V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.29Å; V68-I72 PolarHBondContact O-N 3.23Å; I69-I72 PolarHBondContact O-N 3.17Å; D70-I72 PolarHBondContact O-N 3.41Å; I72-L75 PolarHBondContact O-N 3.23Å; I72-Q76 HydrophobicContact CG2-CG 4.4Å; I72-Q76 WeakPolarHBondContact O-CB 3.32Å; I72-Q76 VanDerWaalsContact O-CG 3.26Å; I72-Q76 WeakPolarHBondContact O-CG 3.4Å; I72-Q76 PolarHBondContact O-N 2.82Å |
| 73 | L | 97.1 | Very high | 92.1 | Very high | 84 Ų | 84 | 82.2 Ų | 82.2 | 44% | 0.44 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 178.9 | -67.1 | 171.9 | 0 | 0 | 0 | 111.2 | I69 D70 L75 Q76 I77 | I69-L73 HydrophobicContact CG2-CD1 3.93Å; I69-L73 HydrophobicContact CG2-CG 4.47Å; I69-L73 WeakPolarHBondContact O-CG 3.18Å; I69-L73 PolarHBondContact O-N 2.81Å; D70-L73 PolarHBondContact O-N 3.41Å; L73-L75 PolarHBondContact O-N 3.23Å; L73-Q76 WeakPolarHBondContact O-CB 3.08Å; L73-Q76 PolarHBondContact O-N 3.15Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.04Å |
| 74 | D | 95.8 | Very high | 90.3 | Very high | 102 Ų | 102 | 82.8 Ų | 82.8 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.9 | -73.1 | -15.8 | 0 | 0 | 0 | 111.9 | D70 Q76 I77 A78 | D70-D74 PolarHBondContact O-N 3.38Å; D74-Q76 VanDerWaalsContact C-N 3.32Å; D74-Q76 PolarHBondContact O-N 3.39Å; D74-I77 PolarHBondContact O-N 3.09Å; D74-A78 WeakPolarHBondContact O-CB 3.42Å; D74-A78 PolarHBondContact O-N 3.05Å |
| 75 | L | 95.6 | Very high | 88.5 | Confident | 71 Ų | 71 | 87.4 Ų | 87.4 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.4 | -73.4 | 178.5 | 0 | 0 | 0 | 112.1 | Y71 I72 L73 A78 L79 | Y71-L75 HydrophobicContact CD1-CD1 4.03Å; Y71-L75 HydrophobicContact CD2-CD1 4.39Å; Y71-L75 HydrophobicContact CD2-CG 4.22Å; Y71-L75 HydrophobicContact CE1-CD1 3.63Å; Y71-L75 HydrophobicContact CE1-CG 4.43Å; Y71-L75 HydrophobicContact CE2-CD1 3.99Å; Y71-L75 HydrophobicContact CE2-CD2 4.05Å; Y71-L75 HydrophobicContact CE2-CG 3.9Å; Y71-L75 HydrophobicContact CG-CD1 4.41Å; Y71-L75 WeakPolarHBondContact O-CB 3.44Å; Y71-L75 VanDerWaalsContact O-CG 3.25Å; Y71-L75 WeakPolarHBondContact O-CG 3.48Å; Y71-L75 PolarHBondContact O-N 3.15Å; I72-L75 PolarHBondContact O-N 3.23Å; L73-L75 PolarHBondContact O-N 3.23Å; L75-A78 PolarHBondContact O-N 2.75Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 VanDerWaalsContact O-CG 3.22Å; L75-L79 WeakPolarHBondContact O-CG 3.19Å; L75-L79 PolarHBondContact O-N 2.95Å |
| 76 | Q | 93.4 | Very high | 86.5 | Confident | 113 Ų | 113 | 87.4 Ų | 87.4 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.5 | -77.7 | 175.2 | -13.5 | 0 | 0 | 111.3 | I72 L73 D74 L79 D80 | I72-Q76 HydrophobicContact CG2-CG 4.4Å; I72-Q76 WeakPolarHBondContact O-CB 3.32Å; I72-Q76 VanDerWaalsContact O-CG 3.26Å; I72-Q76 WeakPolarHBondContact O-CG 3.4Å; I72-Q76 PolarHBondContact O-N 2.82Å; L73-Q76 WeakPolarHBondContact O-CB 3.08Å; L73-Q76 PolarHBondContact O-N 3.15Å; D74-Q76 VanDerWaalsContact C-N 3.32Å; D74-Q76 PolarHBondContact O-N 3.39Å; Q76-L79 PolarHBondContact O-N 3.4Å; Q76-D80 WeakPolarHBondContact O-CB 3.3Å; Q76-D80 PolarHBondContact O-N 3.34Å |
| 77 | I | 93.1 | Very high | 84.4 | Confident | 120 Ų | 120 | 87 Ų | 87 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 177.6 | -64 | 161.7 | 0 | 0 | 0 | 110.8 | L73 D74 L79 D80 S81 | L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.04Å; D74-I77 PolarHBondContact O-N 3.09Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.37Å; I77-D80 PolarHBondContact O-N 3.44Å; I77-S81 PolarHBondContact O-N 2.84Å |
| 78 | A | 92.2 | Very high | 82.3 | Confident | 59 Ų | 59 | 92.3 Ų | 92.3 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D74 L75 | D74-A78 WeakPolarHBondContact O-CB 3.42Å; D74-A78 PolarHBondContact O-N 3.05Å; L75-A78 PolarHBondContact O-N 2.75Å |
| 79 | L | 90.7 | Very high | 80.1 | Confident | 80 Ų | 80 | 99 Ų | 99 | 42% | 0.419 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.5 | -36.7 | 179.6 | -71.2 | 171.9 | 0 | 0 | 0 | 113.1 | L75 Q76 I77 S81 H82 | L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 VanDerWaalsContact O-CG 3.22Å; L75-L79 WeakPolarHBondContact O-CG 3.19Å; L75-L79 PolarHBondContact O-N 2.95Å; Q76-L79 PolarHBondContact O-N 3.4Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.37Å; L79-S81 PolarHBondContact O-N 2.86Å; L79-H82 CarbonylContact O-C 3.34Å; L79-H82 PolarHBondContact O-N 3.02Å |
| 80 | D | 85.4 | Confident | 77.7 | Confident | 142 Ų | 142 | 100.5 Ų | 100.5 | 76% | 0.759 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -31.3 | 178.6 | -164 | 42.9 | 0 | 0 | 0 | 111.8 | Q76 I77 H82 | Q76-D80 WeakPolarHBondContact O-CB 3.3Å; Q76-D80 PolarHBondContact O-N 3.34Å; I77-D80 PolarHBondContact O-N 3.44Å; D80-H82 VanDerWaalsContact C-N 3.27Å; D80-H82 PolarHBondContact O-N 3.21Å |
| 81 | S | 78.9 | Confident | 74.8 | Confident | 85 Ų | 85 | 105.1 Ų | 105.1 | 59% | 0.594 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -22.3 | 173.8 | -164.7 | 0 | 0 | 0 | 0 | 113.6 | I77 L79 | I77-S81 PolarHBondContact O-N 2.84Å; L79-S81 PolarHBondContact O-N 2.86Å |
| 82 | H | 70.8 | Confident | 72.2 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | trans | -131 | 71 | -174.4 | -67 | -7.5 | 0 | 0 | 0 | 112.3 | L79 D80 S84 I85 | L79-H82 CarbonylContact O-C 3.34Å; L79-H82 PolarHBondContact O-N 3.02Å; D80-H82 VanDerWaalsContact C-N 3.27Å; D80-H82 PolarHBondContact O-N 3.21Å; H82-S84 PolarHBondContact O-N 2.96Å; H82-I85 HydrophobicContact CB-CD1 4.49Å; H82-I85 PolarHBondContact O-N 2.96Å | ||
| 83 | P | 60.7 | Low | 69.4 | Low | 93 Ų | 93 | 111.9 Ų | 111.9 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -16.3 | -171.1 | 24.7 | -34.8 | 0 | 0 | 0 | 114.8 | I85 | P83-I85 VanDerWaalsContact C-N 3.28Å; P83-I85 PolarHBondContact O-N 3.37Å |
| 84 | S | 59.3 | Low | 67 | Low | 86 Ų | 86 | 111.3 Ų | 111.3 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.6 | -22.3 | 178.9 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | H82 | H82-S84 PolarHBondContact O-N 2.96Å |
| 85 | I | 59.9 | Low | 64.7 | Low | 105 Ų | 105 | 112.3 Ų | 112.3 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -78.6 | -33 | -179.5 | -60.8 | -176.2 | 0 | 0 | 0 | 111.6 | H82 P83 | H82-I85 HydrophobicContact CB-CD1 4.49Å; H82-I85 PolarHBondContact O-N 2.96Å; P83-I85 VanDerWaalsContact C-N 3.28Å; P83-I85 PolarHBondContact O-N 3.37Å |
| 86 | V | 57.2 | Low | 62.2 | Low | 73 Ų | 73 | 115.7 Ų | 115.7 | 44% | 0.442 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -76.6 | -32 | -178.2 | -177 | 0 | 0 | 0 | 0 | 112.1 | L88 | V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.38Å |
| 87 | S | 54.6 | Low | 60.1 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69 | -24.2 | 179.7 | -86.5 | 0 | 0 | 0 | 0 | 114.3 | H89 | S87-H89 VanDerWaalsContact C-N 3.31Å; S87-H89 PolarHBondContact O-N 3.28Å |
| 88 | L | 53.8 | Low | 57.9 | Low | 157 Ų | 157 | 115.1 Ų | 115.1 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -19.2 | -178.7 | -73.8 | 176 | 0 | 0 | 0 | 113.8 | V86 | V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.38Å |
| 89 | H | 50.6 | Low | 56 | Low | 163 Ų | 163 | 118 Ų | 118 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -2.2 | -177.2 | -164 | -109.4 | 0 | 0 | 0 | 114.6 | S87 | S87-H89 VanDerWaalsContact C-N 3.31Å; S87-H89 PolarHBondContact O-N 3.28Å |
| 90 | H | 47.7 | Very low | 54.3 | Low | 131 Ų | 131 | 125 Ų | 125 | 61% | 0.606 | 69% | 0.689 | S | S | * | * | trans | -121.5 | 13.5 | -173.7 | -74 | 96.2 | 0 | 0 | 0 | 116.5 | R92 | H90-R92 PolarHBondContact O-N 3.42Š| ||
| 91 | Q | 38 | Very low | 52.8 | Low | 185 Ų | 185 | 123.4 Ų | 123.4 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | trans | -76.8 | 70.1 | 166.9 | -72.3 | -138.3 | 64.9 | 0 | 0 | 111.4 | ||||
| 92 | R | 44.3 | Very low | 51.8 | Low | 170 Ų | 170 | 122.8 Ų | 122.8 | 64% | 0.642 | 68% | 0.679 | S | S | * | * | trans | -84.7 | 118.5 | 153.7 | -174.2 | -173.4 | -76 | -165.7 | -2.4 | 106.8 | H90 G94 | H90-R92 PolarHBondContact O-N 3.42Å; R92-G94 PolarHBondContact O-N 3.1Å; R92-G94 VanDerWaalsContact O-N 3.1Å | ||
| 93 | P | 37.5 | Very low | 50.9 | Low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 116.2 | 173.5 | -12.5 | 25.8 | 0 | 0 | 0 | 108.5 | ||
| 94 | G | 48.4 | Very low | 50.9 | Low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.3 | 17.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118 | R92 | R92-G94 PolarHBondContact O-N 3.1Å; R92-G94 VanDerWaalsContact O-N 3.1Å |
| 95 | Q | 46.4 | Very low | 50.8 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 58% | 0.575 | 68% | 0.68 | S | S | * | * | trans | -94.5 | 103.3 | 167.1 | -84.7 | -179.8 | -26.7 | 0 | 0 | 111.2 | ||||
| 96 | N | 44.2 | Very low | 51 | Low | 141 Ų | 141 | 124.2 Ų | 124.2 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -52 | 135.5 | 160.9 | -65 | -19.1 | 0 | 0 | 0 | 108.7 | S98 | N96-S98 PolarHBondContact O-N 2.7Š| ||
| 97 | P | 48.9 | Very low | 51.1 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 69% | 0.691 | S | S | * | * | trans | -68.6 | 89.9 | 173.8 | 29.8 | -31.6 | 0 | 0 | 0 | 106.9 | S99 | P97-S99 PolarHBondContact O-N 2.77Å; P97-S99 VanDerWaalsContact O-N 3.13Å | ||
| 98 | S | 47.4 | Very low | 51.7 | Low | 98 Ų | 98 | 125.4 Ų | 125.4 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | trans | -63 | 117.4 | 166.8 | 20.5 | 0 | 0 | 0 | 0 | 105.7 | N96 R100 | N96-S98 PolarHBondContact O-N 2.7Å; S98-R100 PolarHBondContact O-N 3.17Å | ||
| 99 | S | 50.9 | Low | 52 | Low | 119 Ų | 119 | 121.5 Ų | 121.5 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | trans | -50.1 | 78.6 | 178.3 | -39.6 | 0 | 0 | 0 | 0 | 111.2 | P97 T101 | P97-S99 PolarHBondContact O-N 2.77Å; P97-S99 VanDerWaalsContact O-N 3.13Å; S99-T101 PolarHBondContact O-N 3.45Å; S99-T101 VanDerWaalsContact O-N 3.17Å | ||
| 100 | R | 55.3 | Low | 52.7 | Low | 227 Ų | 227 | 119.3 Ų | 119.3 | 86% | 0.857 | 66% | 0.656 | S | S | * | * | trans | -76.2 | 99.4 | 161.7 | -69.8 | -164.9 | 175.6 | -151.7 | -0.9 | 105 | S98 | S98-R100 PolarHBondContact O-N 3.17Š| ||
| 101 | T | 54.2 | Low | 53.3 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | -52.4 | 122 | 164.2 | 26.4 | 0 | 0 | 0 | 0 | 107.2 | S99 | S99-T101 PolarHBondContact O-N 3.45Å; S99-T101 VanDerWaalsContact O-N 3.17Å | ||
| 102 | P | 57.4 | Low | 54.6 | Low | 72 Ų | 72 | 111.5 Ų | 111.5 | 47% | 0.468 | 63% | 0.629 | S | S | . | * | trans | -62.6 | 142.9 | -179.3 | 26.7 | -33.1 | 0 | 0 | 0 | 108.7 | T104 T105 | P102-T104 WeakPolarHBondContact CB-OG1 3.34Å; P102-T104 WeakPolarHBondContact CG-OG1 3.42Å; P102-T104 PolarHBondContact O-N 2.99Å; P102-T105 WeakPolarHBondContact O-CB 3.31Å; P102-T105 PolarHBondContact O-N 2.95Å; P102-T105 PolarHBondContact O-OG1 2.89Å | ||
| 103 | L | 52.7 | Low | 55.4 | Low | 159 Ų | 159 | 109.1 Ų | 109.1 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -53.2 | -22.6 | 176.5 | -92.6 | 110 | 0 | 0 | 0 | 112.7 | T105 L106 N107 | L103-T105 VanDerWaalsContact C-N 3.26Å; L103-T105 PolarHBondContact O-N 2.82Å; L103-L106 PolarHBondContact O-N 2.91Å; L103-N107 PolarHBondContact O-N 3.33Å |
| 104 | T | 59.6 | Low | 56.2 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.8 | -33.7 | 174.1 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | P102 N107 T108 | P102-T104 WeakPolarHBondContact CB-OG1 3.34Å; P102-T104 WeakPolarHBondContact CG-OG1 3.42Å; P102-T104 PolarHBondContact O-N 2.99Å; T104-N107 PolarHBondContact O-N 3.13Å; T104-T108 PolarHBondContact O-N 3.24Å; T104-T108 PolarHBondContact O-OG1 3.48Å |
| 105 | T | 58.1 | Low | 56.6 | Low | 57 Ų | 57 | 109.9 Ų | 109.9 | 35% | 0.35 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.8 | -49.7 | 178.4 | -56.7 | 0 | 0 | 0 | 0 | 111 | P102 L103 N107 T108 D109 | P102-T105 WeakPolarHBondContact O-CB 3.31Å; P102-T105 PolarHBondContact O-N 2.95Å; P102-T105 PolarHBondContact O-OG1 2.89Å; L103-T105 VanDerWaalsContact C-N 3.26Å; L103-T105 PolarHBondContact O-N 2.82Å; T105-N107 VanDerWaalsContact C-N 3.3Å; T105-N107 PolarHBondContact O-N 3.47Å; T105-T108 WeakPolarHBondContact O-CB 3.42Å; T105-T108 PolarHBondContact O-N 3.13Å; T105-T108 VanDerWaalsContact O-N 3.13Å; T105-D109 VanDerWaalsContact O-CG 3.3Å; T105-D109 PolarHBondContact O-N 3.41Å |
| 106 | L | 64.4 | Low | 56.7 | Low | 117 Ų | 117 | 110.7 Ų | 110.7 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -32.7 | -179.5 | -64.3 | -175.6 | 0 | 0 | 0 | 112.8 | L103 T108 D109 I110 | L103-L106 PolarHBondContact O-N 2.91Å; L106-T108 VanDerWaalsContact C-N 3.33Å; L106-D109 PolarHBondContact O-N 3.33Å; L106-I110 WeakPolarHBondContact O-CG1 3.46Å; L106-I110 PolarHBondContact O-N 2.88Å |
| 107 | N | 59.4 | Low | 57.1 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 60% | 0.599 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.9 | -29.9 | 177.2 | -153.2 | 19.4 | 0 | 0 | 0 | 112.2 | L103 T104 T105 S111 | L103-N107 PolarHBondContact O-N 3.33Å; T104-N107 PolarHBondContact O-N 3.13Å; T105-N107 VanDerWaalsContact C-N 3.3Å; T105-N107 PolarHBondContact O-N 3.47Å; N107-S111 PolarHBondContact O-N 3.11Å; N107-S111 PolarHBondContact O-OG 3.44Å |
| 108 | T | 67.3 | Low | 57.3 | Low | 74 Ų | 74 | 106.7 Ų | 106.7 | 45% | 0.454 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.1 | -41.5 | 173.5 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | T104 T105 L106 I110 S111 I112 | T104-T108 PolarHBondContact O-N 3.24Å; T104-T108 PolarHBondContact O-OG1 3.48Å; T105-T108 WeakPolarHBondContact O-CB 3.42Å; T105-T108 PolarHBondContact O-N 3.13Å; T105-T108 VanDerWaalsContact O-N 3.13Å; L106-T108 VanDerWaalsContact C-N 3.33Å; T108-I110 VanDerWaalsContact C-N 3.34Å; T108-I110 PolarHBondContact O-N 3.49Å; T108-S111 PolarHBondContact O-N 3.45Å; T108-S111 VanDerWaalsContact O-N 3.13Å; T108-I112 HydrophobicContact CG2-CD1 4.06Å; T108-I112 HydrophobicContact CG2-CG1 4.33Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.34Å |
| 109 | D | 58.7 | Low | 57.2 | Low | 75 Ų | 75 | 110 Ų | 110 | 40% | 0.401 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62 | -39.6 | 178.4 | -64.1 | -38 | 0 | 0 | 0 | 112.1 | T105 L106 S111 I112 L113 | T105-D109 VanDerWaalsContact O-CG 3.3Å; T105-D109 PolarHBondContact O-N 3.41Å; L106-D109 PolarHBondContact O-N 3.33Å; D109-S111 VanDerWaalsContact C-N 3.34Å; D109-S111 PolarHBondContact O-N 3.49Å; D109-I112 PolarHBondContact O-N 3.1Å; D109-L113 WeakPolarHBondContact O-CB 3.48Å; D109-L113 VanDerWaalsContact O-CG 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.22Å; D109-L113 PolarHBondContact O-N 3.3Å |
| 110 | I | 66.6 | Low | 56.6 | Low | 116 Ų | 116 | 113 Ų | 113 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62 | -42 | 174.2 | -68.2 | 179.2 | 0 | 0 | 0 | 111.2 | L106 T108 S114 | L106-I110 WeakPolarHBondContact O-CG1 3.46Å; L106-I110 PolarHBondContact O-N 2.88Å; T108-I110 VanDerWaalsContact C-N 3.34Å; T108-I110 PolarHBondContact O-N 3.49Å; I110-S114 WeakPolarHBondContact O-CB 3.38Å; I110-S114 PolarHBondContact O-N 3.18Å |
| 111 | S | 60 | Low | 56 | Low | 69 Ų | 69 | 107.5 Ų | 107.5 | 48% | 0.483 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.8 | -38.2 | 177.3 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | N107 T108 D109 S114 L115 | N107-S111 PolarHBondContact O-N 3.11Å; N107-S111 PolarHBondContact O-OG 3.44Å; T108-S111 PolarHBondContact O-N 3.45Å; T108-S111 VanDerWaalsContact O-N 3.13Å; D109-S111 VanDerWaalsContact C-N 3.34Å; D109-S111 PolarHBondContact O-N 3.49Å; S111-S114 PolarHBondContact O-N 3.37Å; S111-L115 VanDerWaalsContact O-CG 3.31Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.31Å |
| 112 | I | 64.6 | Low | 55.6 | Low | 84 Ų | 84 | 108 Ų | 108 | 43% | 0.431 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.8 | -43 | 178.7 | -69.8 | -171.2 | 0 | 0 | 0 | 111.8 | T108 D109 S114 L115 Q116 | T108-I112 HydrophobicContact CG2-CD1 4.06Å; T108-I112 HydrophobicContact CG2-CG1 4.33Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.34Å; D109-I112 PolarHBondContact O-N 3.1Å; I112-S114 PolarHBondContact O-N 3.13Å; I112-L115 PolarHBondContact O-N 2.76Å; I112-L115 VanDerWaalsContact O-N 3.11Å; I112-Q116 PolarHBondContact O-N 2.74Å; I112-Q116 VanDerWaalsContact O-N 3.1Å |
| 113 | L | 61.8 | Low | 55.1 | Low | 119 Ų | 119 | 113.2 Ų | 113.2 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.6 | -37 | 175.8 | -72.5 | 168.5 | 0 | 0 | 0 | 111.7 | D109 L115 A117 | D109-L113 WeakPolarHBondContact O-CB 3.48Å; D109-L113 VanDerWaalsContact O-CG 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.22Å; D109-L113 PolarHBondContact O-N 3.3Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.91Å; L113-A117 PolarHBondContact O-N 3.08Å |
| 114 | S | 54.6 | Low | 54.8 | Low | 88 Ų | 88 | 113.4 Ų | 113.4 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.6 | -24 | 177.7 | -162.3 | 0 | 0 | 0 | 0 | 113.4 | I110 S111 I112 | I110-S114 WeakPolarHBondContact O-CB 3.38Å; I110-S114 PolarHBondContact O-N 3.18Å; S111-S114 PolarHBondContact O-N 3.37Å; I112-S114 PolarHBondContact O-N 3.13Å |
| 115 | L | 55.8 | Low | 54.3 | Low | 132 Ų | 132 | 117.4 Ų | 117.4 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -85.6 | -33.6 | 178.1 | -69.7 | 167.1 | 0 | 0 | 0 | 112.3 | S111 I112 L113 A117 S118 | S111-L115 VanDerWaalsContact O-CG 3.31Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.31Å; I112-L115 PolarHBondContact O-N 2.76Å; I112-L115 VanDerWaalsContact O-N 3.11Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.91Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.35Å; L115-S118 PolarHBondContact O-N 3.38Å |
| 116 | Q | 48.8 | Very low | 53.6 | Low | 140 Ų | 140 | 118.9 Ų | 118.9 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.5 | -20.1 | 177.1 | -78.6 | -179.1 | -53.9 | 0 | 0 | 113.9 | I112 S118 | I112-Q116 PolarHBondContact O-N 2.74Å; I112-Q116 VanDerWaalsContact O-N 3.1Å; Q116-S118 PolarHBondContact O-N 2.95Å |
| 117 | A | 53.5 | Low | 52.8 | Low | 74 Ų | 74 | 119.2 Ų | 119.2 | 61% | 0.612 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -13.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | L113 L115 | L113-A117 PolarHBondContact O-N 3.08Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.35Å |
| 118 | S | 51.8 | Low | 52.1 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -8.2 | -176.6 | -168.3 | 0 | 0 | 0 | 0 | 114.6 | L115 Q116 | L115-S118 PolarHBondContact O-N 3.38Å; Q116-S118 PolarHBondContact O-N 2.95Å |
| 119 | E | 46.7 | Very low | 51.6 | Low | 167 Ų | 167 | 123.4 Ų | 123.4 | 78% | 0.78 | 69% | 0.692 | S | S | * | * | trans | -134.2 | 82 | -174.9 | -158.2 | 170.7 | 104 | 0 | 0 | 111 | P121 | E119-P121 WeakPolarHBondContact O-CD 3.46Š| ||
| 120 | F | 37.8 | Very low | 51.3 | Low | 182 Ų | 182 | 129.1 Ų | 129.1 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | trans | -84.5 | 118.8 | 161.4 | -96.3 | -86.5 | 0 | 0 | 0 | 108.6 | S122 | F120-S122 PolarHBondContact O-N 2.96Š| ||
| 121 | P | 41.4 | Very low | 50.5 | Low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -76.3 | 112.2 | 161.6 | -6.7 | 24.1 | 0 | 0 | 0 | 108.6 | E119 E123 | E119-P121 WeakPolarHBondContact O-CD 3.46Å; P121-E123 PolarHBondContact O-N 3.07Å | ||
| 122 | S | 45.7 | Very low | 50.2 | Low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -71.4 | 67.5 | 170.5 | -65 | 0 | 0 | 0 | 0 | 111.4 | F120 | F120-S122 PolarHBondContact O-N 2.96Š| ||
| 123 | E | 47.7 | Very low | 49.5 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -148.2 | 87.8 | 170.1 | -78.2 | -152.2 | 101.4 | 0 | 0 | 111.8 | P121 | P121-E123 PolarHBondContact O-N 3.07Š| ||
| 124 | L | 45.8 | Very low | 48.5 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -167.9 | 65.1 | 134.8 | -161.4 | 63.5 | 0 | 0 | 0 | 110.2 | S126 | L124-S126 PolarHBondContact O-N 3.47Š| ||
| 125 | M | 49.7 | Very low | 48.2 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -86.6 | 91.5 | 154 | -70.4 | -168.5 | 72.1 | 0 | 0 | 107 | ||||
| 126 | S | 43 | Very low | 47.8 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 62% | 0.622 | 82% | 0.819 | S | S | * | * | trans | -128.4 | 117.1 | 158.1 | -167.4 | 0 | 0 | 0 | 0 | 108.7 | L124 | L124-S126 PolarHBondContact O-N 3.47Š| ||
| 127 | N | 48.6 | Very low | 47.7 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 83% | 0.828 | S | S | * | * | trans | -90.1 | 120.1 | -170.8 | -27.5 | -60.2 | 0 | 0 | 0 | 106.2 | ||||
| 128 | D | 43.3 | Very low | 47.4 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 84% | 0.84 | S | S | * | * | trans | -132.7 | 89.3 | 164.7 | -84.4 | -61.7 | 0 | 0 | 0 | 109.2 | K130 | D128-K130 PolarHBondContact O-N 3.06Š| ||
| 129 | S | 57.1 | Low | 47.1 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | trans | -55.9 | 102.5 | 160.7 | -65.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 130 | K | 53.8 | Low | 47.1 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 85% | 0.851 | S | S | * | * | trans | -104.1 | 120.3 | 169.1 | 65.4 | -156 | -154.4 | -72.8 | 0 | 110.4 | D128 | D128-K130 PolarHBondContact O-N 3.06Š| ||
| 131 | A | 50.1 | Low | 47.8 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 85% | 0.854 | S | S | * | * | trans | -53.9 | 160.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 132 | L | 53.5 | Low | 48.3 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 86% | 0.864 | S | S | * | * | trans | 114.3 | 126.8 | 134.6 | -142.3 | 79 | 0 | 0 | 0 | 117.8 | ||||
| 133 | C | 49.4 | Very low | 48.5 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 84% | 0.838 | 87% | 0.867 | S | S | * | * | trans | 87.4 | 119.2 | 154.1 | -78.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 134 | G | 39.6 | Very low | 48.5 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 100% | 1.588 | 87% | 0.868 | S | S | * | * | trans | 158.5 | 0 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 134 of 134 residues in 57.5 ms
(Link to these results)