| 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 | 62.9 | Low | 86.6 | Confident | 247 Ų | 247 | 136.5 Ų | 136.5 | 100% | 1.217 | 75% | 0.747 | S | S | * | * | 0 | 126.3 | 0 | -158.4 | 159.7 | 170.4 | 0 | 0 | 107.3 | |||||
| 2 | A | 81.8 | Confident | 87 | Confident | 92 Ų | 92 | 137.7 Ų | 137.7 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 139.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | R4 | A2-R4 PolarHBondContact O-N 3.01Š| ||
| 3 | I | 82.8 | Confident | 87.4 | Confident | 129 Ų | 129 | 137.8 Ų | 137.8 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | trans | -67.9 | 126.2 | 176.2 | -58.9 | 172.6 | 0 | 0 | 0 | 108.7 | Y5 | I3-Y5 HydrophobicContact CB-CE2 4.34Å; I3-Y5 HydrophobicContact CG2-CD1 4.39Å; I3-Y5 HydrophobicContact CG2-CD2 4.37Å; I3-Y5 HydrophobicContact CG2-CE1 3.88Å; I3-Y5 HydrophobicContact CG2-CE2 3.86Å | ||
| 4 | R | 83.5 | Confident | 87.9 | Confident | 227 Ų | 227 | 130.9 Ų | 130.9 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | trans | -103.8 | 111.7 | 175.6 | -72.9 | -173.5 | 176.7 | -179.7 | -0.3 | 109.8 | A2 | A2-R4 PolarHBondContact O-N 3.01Š| ||
| 5 | Y | 86.5 | Confident | 88.2 | Confident | 166 Ų | 166 | 132.9 Ų | 132.9 | 65% | 0.651 | 72% | 0.719 | S | S | * | * | trans | -82.6 | 146.6 | 175.1 | -62.7 | -76.8 | 0 | 0 | 0 | 111.3 | I3 M7 | I3-Y5 HydrophobicContact CB-CE2 4.34Å; I3-Y5 HydrophobicContact CG2-CD1 4.39Å; I3-Y5 HydrophobicContact CG2-CD2 4.37Å; I3-Y5 HydrophobicContact CG2-CE1 3.88Å; I3-Y5 HydrophobicContact CG2-CE2 3.86Å; Y5-M7 PolarHBondContact O-N 3.13Å | ||
| 6 | P | 89.9 | Confident | 88.4 | Confident | 93 Ų | 93 | 130.6 Ų | 130.6 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | trans | -65.2 | 120.1 | 167.4 | 27.6 | -31.9 | 0 | 0 | 0 | 108.8 | P16 | P6-P16 HydrophobicContact CB-CG 4.4Š| ||
| 7 | M | 92.8 | Very high | 88.7 | Confident | 118 Ų | 118 | 129.4 Ų | 129.4 | 58% | 0.581 | 71% | 0.711 | S | S | * | * | trans | -108.2 | 150.7 | -178.4 | -68.4 | -179.1 | -72.7 | 0 | 0 | 110.4 | Y5 V9 K13 G14 | Y5-M7 PolarHBondContact O-N 3.13Å; M7-V9 WeakPolarHBondContact CB-O 3.46Å; M7-V9 PolarHBondContact O-N 3.26Å; M7-K13 WeakPolarHBondContact O-CA 3.48Å; M7-K13 WeakPolarHBondContact O-CB 3.29Å; M7-G14 PolarHBondContact O-N 3.06Å | ||
| 8 | A | 92.1 | Very high | 89 | Confident | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -76.3 | -12.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | K13 | A8-K13 WeakPolarHBondContact O-CD 3.26Š|
| 9 | V | 93.5 | Very high | 89.3 | Confident | 109 Ų | 109 | 132.9 Ų | 132.9 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -127.3 | 160.1 | -177.4 | -63.5 | 0 | 0 | 0 | 0 | 111 | M7 | M7-V9 WeakPolarHBondContact CB-O 3.46Å; M7-V9 PolarHBondContact O-N 3.26Å |
| 10 | G | 93.5 | Very high | 89.5 | Confident | 53 Ų | 53 | 133 Ų | 133 | 55% | 0.546 | 72% | 0.723 | S | S | . | * | S | Bend | trans | 96.4 | -177.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K13 | G10-K13 WeakPolarHBondContact O-CB 3.31Å; G10-K13 WeakPolarHBondContact O-CD 3.47Å; G10-K13 VanDerWaalsContact O-CG 3.24Å; G10-K13 WeakPolarHBondContact O-CG 3.41Å |
| 11 | L | 93.2 | Very high | 89.7 | Confident | 177 Ų | 177 | 132.7 Ų | 132.7 | 93% | 0.927 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -41.4 | -173.1 | -65.9 | 172.9 | 0 | 0 | 0 | 112.7 | K13 | L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.4Å |
| 12 | N | 91.1 | Very high | 91.3 | Very high | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 42.5 | -179.6 | -62.2 | -27.6 | 0 | 0 | 0 | 111.3 | ||
| 13 | K | 93.2 | Very high | 91.8 | Very high | 140 Ų | 140 | 125.9 Ų | 125.9 | 61% | 0.609 | 70% | 0.698 | S | S | * | * | trans | -78 | 159.7 | -177.7 | 65.3 | -179.6 | 176.2 | 177.9 | 0 | 112.7 | M7 A8 G10 L11 | M7-K13 WeakPolarHBondContact O-CA 3.48Å; M7-K13 WeakPolarHBondContact O-CB 3.29Å; A8-K13 WeakPolarHBondContact O-CD 3.26Å; G10-K13 WeakPolarHBondContact O-CB 3.31Å; G10-K13 WeakPolarHBondContact O-CD 3.47Å; G10-K13 VanDerWaalsContact O-CG 3.24Å; G10-K13 WeakPolarHBondContact O-CG 3.41Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.4Å | ||
| 14 | G | 93.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 124 Ų | 124 | 41% | 0.412 | 69% | 0.693 | S | S | . | * | S | Bend | trans | 99.1 | 177 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M7 | M7-G14 PolarHBondContact O-N 3.06Š|
| 15 | H | 93.1 | Very high | 93 | Very high | 161 Ų | 161 | 120.4 Ų | 120.4 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | trans | -74.9 | 125 | -179 | -174.6 | 61.9 | 0 | 0 | 0 | 110.1 | V17 | H15-V17 WeakPolarHBondContact CD2-CG2 3.37Å; H15-V17 PolarHBondContact O-N 3.44Å | ||
| 16 | P | 91.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 119.6 Ų | 119.6 | 63% | 0.63 | 69% | 0.686 | S | S | * | * | trans | -70.9 | 105 | 179.5 | 28.2 | -33.5 | 0 | 0 | 0 | 110 | P6 | P6-P16 HydrophobicContact CB-CG 4.4Š| ||
| 17 | V | 93.2 | Very high | 93.7 | Very high | 110 Ų | 110 | 119.4 Ų | 119.4 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | trans | -113.8 | 142 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | H15 K19 | H15-V17 WeakPolarHBondContact CD2-CG2 3.37Å; H15-V17 PolarHBondContact O-N 3.44Å; V17-K19 PolarHBondContact O-N 3.35Å | ||
| 18 | T | 94.6 | Very high | 93.8 | Very high | 138 Ų | 138 | 122.9 Ų | 122.9 | 85% | 0.847 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 117.1 | 170.1 | 48.6 | 0 | 0 | 0 | 0 | 110 | N20 | T18-N20 PolarHBondContact O-N 2.89Š|
| 19 | K | 94.5 | Very high | 93.9 | Very high | 187 Ų | 187 | 125.9 Ų | 125.9 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 122.4 | -177.4 | -176.7 | 178.8 | -179.6 | -179.2 | 0 | 111.2 | V17 V21 | V17-K19 PolarHBondContact O-N 3.35Å; K19-V21 PolarHBondContact O-N 2.94Å |
| 20 | N | 94.4 | Very high | 93.9 | Very high | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 121.4 | 169.4 | -172.4 | -0.3 | 0 | 0 | 0 | 110.9 | T18 T22 | T18-N20 PolarHBondContact O-N 2.89Å; N20-T22 PolarHBondContact O-N 3.08Å |
| 21 | V | 93.4 | Very high | 93.9 | Very high | 127 Ų | 127 | 133.3 Ų | 133.3 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -92.4 | 100.4 | 178.4 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | K19 | K19-V21 PolarHBondContact O-N 2.94Š| ||
| 22 | T | 94.9 | Very high | 94 | Very high | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 154.3 | 177 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | N20 | N20-T22 PolarHBondContact O-N 3.08Š|
| 23 | A | 94.3 | Very high | 94.2 | Very high | 90 Ų | 90 | 131.7 Ų | 131.7 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K25 | A23-K25 PolarHBondContact O-N 3.37Š|
| 24 | P | 94.4 | Very high | 94.3 | Very high | 88 Ų | 88 | 128.9 Ų | 128.9 | 57% | 0.571 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 134.2 | -179.5 | 26.3 | -33.5 | 0 | 0 | 0 | 110.9 | ||
| 25 | K | 95.8 | Very high | 94.5 | Very high | 152 Ų | 152 | 136.5 Ų | 136.5 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.3 | 176.8 | -65.3 | -171.4 | 176.9 | -173.3 | 0 | 111.8 | A23 S27 R28 | A23-K25 PolarHBondContact O-N 3.37Å; K25-S27 PolarHBondContact O-N 3.39Å; K25-R28 WeakPolarHBondContact O-CB 3.49Å; K25-R28 PolarHBondContact O-N 3.01Å |
| 26 | H | 96 | Very high | 94.7 | Very high | 149 Ų | 149 | 135.3 Ų | 135.3 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -56.2 | -35.6 | 179.2 | -173.7 | 86.8 | 0 | 0 | 0 | 112.9 | R28 R29 | H26-R28 PolarHBondContact O-N 3.31Å; H26-R28 VanDerWaalsContact O-N 3.11Å; H26-R29 VanDerWaalsContact O-CB 3.27Å; H26-R29 WeakPolarHBondContact O-CB 3.5Å; H26-R29 PolarHBondContact O-N 3.05Å |
| 27 | S | 95.9 | Very high | 95 | Very high | 90 Ų | 90 | 132.3 Ų | 132.3 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -56.3 | -29.1 | 177.9 | 57.8 | 0 | 0 | 0 | 0 | 114 | K25 R29 R30 | K25-S27 PolarHBondContact O-N 3.39Å; S27-R29 PolarHBondContact O-N 3.44Å; S27-R30 PolarHBondContact O-N 3.5Å |
| 28 | R | 94.6 | Very high | 95.1 | Very high | 190 Ų | 190 | 132.3 Ų | 132.3 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -70.5 | -13.4 | 175.8 | -64.8 | -176.6 | 176.9 | 150.7 | -0.2 | 113.4 | K25 H26 R30 | K25-R28 WeakPolarHBondContact O-CB 3.49Å; K25-R28 PolarHBondContact O-N 3.01Å; H26-R28 PolarHBondContact O-N 3.31Å; H26-R28 VanDerWaalsContact O-N 3.11Å; R28-R30 VanDerWaalsContact C-N 3.32Å |
| 29 | R | 93.4 | Very high | 95.2 | Very high | 155 Ų | 155 | 132.6 Ų | 132.6 | 59% | 0.585 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -80.2 | -11.3 | 177.4 | -64.4 | -177 | 165.3 | -171.9 | -2.3 | 113.2 | H26 S27 G31 R32 | H26-R29 VanDerWaalsContact O-CB 3.27Å; H26-R29 WeakPolarHBondContact O-CB 3.5Å; H26-R29 PolarHBondContact O-N 3.05Å; S27-R29 PolarHBondContact O-N 3.44Å; R29-G31 PolarHBondContact O-N 3.25Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 2.93Å |
| 30 | R | 94.9 | Very high | 95.4 | Very high | 237 Ų | 237 | 126.9 Ų | 126.9 | 89% | 0.894 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 131.3 | 179.6 | -171.7 | 178.2 | -179.2 | -172.9 | 0.9 | 110.4 | S27 R28 | S27-R30 PolarHBondContact O-N 3.5Å; R28-R30 VanDerWaalsContact C-N 3.32Å |
| 31 | G | 92.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 127.8 Ų | 127.8 | 84% | 0.835 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97 | -5.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R29 | R29-G31 PolarHBondContact O-N 3.25Š|
| 32 | R | 94.6 | Very high | 95.5 | Very high | 201 Ų | 201 | 126 Ų | 126 | 76% | 0.758 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135.4 | 171.3 | -168.7 | 174.2 | -176.8 | 177.4 | 1.3 | 110.5 | R29 T34 | R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 2.93Å; R32-T34 PolarHBondContact O-N 3.36Å |
| 33 | L | 95.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 123.7 Ų | 123.7 | 48% | 0.482 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -73.6 | 123.3 | 175.8 | -171.5 | 67.9 | 0 | 0 | 0 | 110.1 | K38 | L33-K38 HydrophobicContact CD1-CB 4.18Å; L33-K38 HydrophobicContact CD2-CB 3.95Å; L33-K38 HydrophobicContact CD2-CD 4.09Å; L33-K38 HydrophobicContact CD2-CG 4.03Å; L33-K38 HydrophobicContact CG-CB 4Å |
| 34 | T | 96.9 | Very high | 95.7 | Very high | 81 Ų | 81 | 123.9 Ų | 123.9 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -94 | 158.9 | 174.4 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | R32 H36 S37 K38 | R32-T34 PolarHBondContact O-N 3.36Å; T34-H36 VanDerWaalsContact C-N 3.31Å; T34-H36 PolarHBondContact O-N 3.09Å; T34-S37 PolarHBondContact O-N 3.07Å; T34-S37 WeakPolarHBondContact OG1-CB 3.38Å; T34-S37 PolarHBondContact OG1-N 3.13Å; T34-K38 WeakPolarHBondContact O-CB 3.41Å; T34-K38 PolarHBondContact O-N 3.23Å |
| 35 | K | 97.4 | Very high | 95.8 | Very high | 200 Ų | 200 | 123.6 Ų | 123.6 | 87% | 0.87 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.2 | -46 | 178.1 | -67.4 | -176.7 | 179.3 | -179.1 | 0 | 111.8 | K38 F39 | K35-K38 PolarHBondContact O-N 3.01Å; K35-F39 PolarHBondContact O-N 3.49Å |
| 36 | H | 97.1 | Very high | 95.7 | Very high | 136 Ų | 136 | 124.2 Ų | 124.2 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.7 | -46.6 | 179.1 | -176.7 | 64.8 | 0 | 0 | 0 | 112.5 | T34 K38 F39 I40 | T34-H36 VanDerWaalsContact C-N 3.31Å; T34-H36 PolarHBondContact O-N 3.09Å; H36-K38 VanDerWaalsContact C-N 3.3Å; H36-K38 PolarHBondContact O-N 2.99Å; H36-F39 PolarHBondContact O-N 2.96Å; H36-I40 VanDerWaalsContact NE2-CD1 3.29Å; H36-I40 WeakPolarHBondContact NE2-CD1 3.44Å; H36-I40 WeakPolarHBondContact O-CG1 3.19Å; H36-I40 PolarHBondContact O-N 3.3Å; H36-I40 VanDerWaalsContact O-N 3.08Å |
| 37 | S | 96.4 | Very high | 95.7 | Very high | 34 Ų | 34 | 122.9 Ų | 122.9 | 24% | 0.238 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -67.3 | -32.2 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | T34 R41 | T34-S37 PolarHBondContact O-N 3.07Å; T34-S37 WeakPolarHBondContact OG1-CB 3.38Å; T34-S37 PolarHBondContact OG1-N 3.13Å; S37-R41 WeakPolarHBondContact O-CB 3.47Å; S37-R41 WeakPolarHBondContact O-CG 3.33Å; S37-R41 PolarHBondContact O-N 3.48Å; S37-R41 VanDerWaalsContact O-N 3.09Å; S37-R41 PolarHBondContact OG-NE 3.48Å |
| 38 | K | 96.1 | Very high | 95.7 | Very high | 109 Ų | 109 | 123.4 Ų | 123.4 | 47% | 0.474 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.4 | -51.7 | 172.9 | -175.2 | 179.3 | 176.3 | -169.5 | 0 | 111 | L33 T34 K35 H36 I40 R41 D42 | L33-K38 HydrophobicContact CD1-CB 4.18Å; L33-K38 HydrophobicContact CD2-CB 3.95Å; L33-K38 HydrophobicContact CD2-CD 4.09Å; L33-K38 HydrophobicContact CD2-CG 4.03Å; L33-K38 HydrophobicContact CG-CB 4Å; T34-K38 WeakPolarHBondContact O-CB 3.41Å; T34-K38 PolarHBondContact O-N 3.23Å; K35-K38 PolarHBondContact O-N 3.01Å; H36-K38 VanDerWaalsContact C-N 3.3Å; H36-K38 PolarHBondContact O-N 2.99Å; K38-I40 VanDerWaalsContact C-N 3.34Å; K38-I40 PolarHBondContact O-N 3.18Å; K38-R41 PolarHBondContact O-N 3.03Å; K38-R41 VanDerWaalsContact O-N 3.13Å; K38-D42 WeakPolarHBondContact CE-OD2 3.34Å; K38-D42 WeakPolarHBondContact CG-OD2 3.45Å; K38-D42 PolarHBondContact O-N 3.22Å |
| 39 | F | 97 | Very high | 95.7 | Very high | 144 Ų | 144 | 115.6 Ų | 115.6 | 63% | 0.632 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -52.6 | -51.9 | 178.5 | 176 | -106.5 | 0 | 0 | 0 | 111.5 | K35 H36 R41 D42 T43 | K35-F39 PolarHBondContact O-N 3.49Å; H36-F39 PolarHBondContact O-N 2.96Å; F39-R41 PolarHBondContact O-N 3.35Å; F39-D42 PolarHBondContact O-N 3.02Å; F39-T43 PolarHBondContact O-N 3.31Å; F39-T43 PolarHBondContact O-OG1 3.39Å |
| 40 | I | 97 | Very high | 95.8 | Very high | 68 Ų | 68 | 111 Ų | 111 | 35% | 0.349 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.4 | -44.8 | 178.2 | -67.6 | 168.5 | 0 | 0 | 0 | 112 | H36 K38 D42 T43 I44 | H36-I40 VanDerWaalsContact NE2-CD1 3.29Å; H36-I40 WeakPolarHBondContact NE2-CD1 3.44Å; H36-I40 WeakPolarHBondContact O-CG1 3.19Å; H36-I40 PolarHBondContact O-N 3.3Å; H36-I40 VanDerWaalsContact O-N 3.08Å; K38-I40 VanDerWaalsContact C-N 3.34Å; K38-I40 PolarHBondContact O-N 3.18Å; I40-D42 PolarHBondContact O-N 2.89Å; I40-T43 PolarHBondContact O-N 2.86Å; I40-I44 HydrophobicContact CG2-CD1 3.71Å; I40-I44 HydrophobicContact CG2-CG1 4.42Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.35Å; I40-I44 PolarHBondContact O-N 3.34Å |
| 41 | R | 96.1 | Very high | 95.9 | Very high | 154 Ų | 154 | 101.3 Ų | 101.3 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | -179.1 | -73.9 | 173.9 | -165.3 | -158.2 | 2.8 | 112.3 | S37 K38 F39 R45 | S37-R41 WeakPolarHBondContact O-CB 3.47Å; S37-R41 WeakPolarHBondContact O-CG 3.33Å; S37-R41 PolarHBondContact O-N 3.48Å; S37-R41 VanDerWaalsContact O-N 3.09Å; S37-R41 PolarHBondContact OG-NE 3.48Å; K38-R41 PolarHBondContact O-N 3.03Å; K38-R41 VanDerWaalsContact O-N 3.13Å; F39-R41 PolarHBondContact O-N 3.35Å; R41-R45 WeakPolarHBondContact O-CB 3.32Å; R41-R45 PolarHBondContact O-N 3.34Å |
| 42 | D | 94.9 | Very high | 96.1 | Very high | 89 Ų | 89 | 102 Ų | 102 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 179 | -66.7 | -15.5 | 0 | 0 | 0 | 109.8 | K38 F39 I40 R45 E46 | K38-D42 WeakPolarHBondContact CE-OD2 3.34Å; K38-D42 WeakPolarHBondContact CG-OD2 3.45Å; K38-D42 PolarHBondContact O-N 3.22Å; F39-D42 PolarHBondContact O-N 3.02Å; I40-D42 PolarHBondContact O-N 2.89Å; D42-R45 PolarHBondContact O-N 3.21Å; D42-E46 PolarHBondContact O-N 2.9Å; D42-E46 VanDerWaalsContact O-N 3.07Å |
| 43 | T | 96.7 | Very high | 96.2 | Very high | 58 Ų | 58 | 96.1 Ų | 96.1 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 174.5 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | F39 I40 R45 E46 V47 | F39-T43 PolarHBondContact O-N 3.31Å; F39-T43 PolarHBondContact O-OG1 3.39Å; I40-T43 PolarHBondContact O-N 2.86Å; T43-R45 VanDerWaalsContact C-N 3.3Å; T43-R45 PolarHBondContact O-N 3Å; T43-E46 PolarHBondContact O-N 2.93Å; T43-V47 WeakPolarHBondContact O-CG2 3.47Å; T43-V47 PolarHBondContact O-N 3.29Å; T43-V47 VanDerWaalsContact O-N 3.13Å |
| 44 | I | 96.6 | Very high | 96.2 | Very high | 93 Ų | 93 | 92 Ų | 92 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 177.7 | -68.7 | 168.6 | 0 | 0 | 0 | 111 | I40 E46 V47 C48 | I40-I44 HydrophobicContact CG2-CD1 3.71Å; I40-I44 HydrophobicContact CG2-CG1 4.42Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.35Å; I40-I44 PolarHBondContact O-N 3.34Å; I44-E46 VanDerWaalsContact C-N 3.29Å; I44-E46 PolarHBondContact O-N 3.24Å; I44-V47 PolarHBondContact O-N 2.93Å; I44-C48 WeakPolarHBondContact O-CB 3.44Å; I44-C48 PolarHBondContact O-N 3.41Å |
| 45 | R | 95.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 94.7 Ų | 94.7 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 179.1 | -179.8 | 65.2 | 85.3 | 177.2 | 8.6 | 111.8 | R41 D42 T43 G49 E54 E89 | R41-R45 WeakPolarHBondContact O-CB 3.32Å; R41-R45 PolarHBondContact O-N 3.34Å; D42-R45 PolarHBondContact O-N 3.21Å; T43-R45 VanDerWaalsContact C-N 3.3Å; T43-R45 PolarHBondContact O-N 3Å; R45-G49 WeakPolarHBondContact CD-O 2.85Å; R45-G49 PolarHBondContact NH1-O 2.95Å; R45-G49 VanDerWaalsContact O-CA 3.26Å; R45-G49 WeakPolarHBondContact O-CA 3.31Å; R45-G49 PolarHBondContact O-N 2.94Å; R45-E54 IonicContact NH1-OE1 2.86Å; R45-E54 IonicContact NH1-OE2 2.84Å; R45-E54 PolarHBondContact NH1-OE2 2.63Å; R45-E54 IonicContact NH2-OE1 3.84Å; R45-E89 IonicContact CZ-OE1 3.02Å; R45-E89 IonicContact NH2-OE1 3.56Å; R45-E89 PolarHBondContact NH2-OE1 3.4Å |
| 46 | E | 93.8 | Very high | 96.1 | Very high | 165 Ų | 165 | 90.4 Ų | 90.4 | 77% | 0.771 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.5 | -46.1 | 174.6 | -173.9 | 173.6 | -170.9 | 0 | 0 | 111.8 | D42 T43 I44 | D42-E46 PolarHBondContact O-N 2.9Å; D42-E46 VanDerWaalsContact O-N 3.07Å; T43-E46 PolarHBondContact O-N 2.93Å; I44-E46 VanDerWaalsContact C-N 3.29Å; I44-E46 PolarHBondContact O-N 3.24Å |
| 47 | V | 97.1 | Very high | 96.1 | Very high | 121 Ų | 121 | 84 Ų | 84 | 73% | 0.733 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.6 | -47.9 | -179.6 | 176 | 0 | 0 | 0 | 0 | 112.3 | T43 I44 | T43-V47 WeakPolarHBondContact O-CG2 3.47Å; T43-V47 PolarHBondContact O-N 3.29Å; T43-V47 VanDerWaalsContact O-N 3.13Å; I44-V47 PolarHBondContact O-N 2.93Å |
| 48 | C | 96.3 | Very high | 96.1 | Very high | 101 Ų | 101 | 83.2 Ų | 83.2 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -87.6 | -23 | -174.1 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | I44 | I44-C48 WeakPolarHBondContact O-CB 3.44Å; I44-C48 PolarHBondContact O-N 3.41Å |
| 49 | G | 94.6 | Very high | 96.1 | Very high | 27 Ų | 27 | 83.7 Ų | 83.7 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | trans | 70.9 | -144.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R45 | R45-G49 WeakPolarHBondContact CD-O 2.85Å; R45-G49 PolarHBondContact NH1-O 2.95Å; R45-G49 VanDerWaalsContact O-CA 3.26Å; R45-G49 WeakPolarHBondContact O-CA 3.31Å; R45-G49 PolarHBondContact O-N 2.94Å | ||
| 50 | F | 95.6 | Very high | 96.1 | Very high | 58 Ų | 58 | 77.9 Ų | 77.9 | 25% | 0.254 | 39% | 0.39 | S | S | . | . | trans | -111.9 | 138.5 | -173.5 | -67.3 | -74.7 | 0 | 0 | 0 | 112.9 | E54 R55 M58 L90 V93 | F50-E54 WeakPolarHBondContact CA-OE2 3.44Å; F50-E54 HydrophobicContact CB-CB 4.11Å; F50-E54 HydrophobicContact CD1-CB 4.22Å; F50-R55 HydrophobicContact CB-CG 3.9Å; F50-M58 HydrophobicContact CB-CE 3.87Å; F50-M58 HydrophobicContact CD1-CE 4.09Å; F50-M58 HydrophobicContact CD1-SD 4.48Å; F50-M58 HydrophobicContact CD2-CE 3.6Å; F50-M58 HydrophobicContact CD2-SD 4.28Å; F50-M58 HydrophobicContact CE1-SD 4.47Å; F50-M58 HydrophobicContact CE2-CE 4.17Å; F50-M58 HydrophobicContact CE2-SD 4.26Å; F50-M58 HydrophobicContact CG-CE 3.56Å; F50-M58 HydrophobicContact CG-SD 4.4Å; F50-M58 HydrophobicContact CZ-SD 4.39Å; F50-L90 HydrophobicContact CD1-CD2 4.24Å; F50-L90 HydrophobicContact CE1-CD2 4.14Å; F50-V93 HydrophobicContact CE1-CG1 4.33Å; F50-V93 HydrophobicContact CE1-CG2 4.26Å; F50-V93 HydrophobicContact CE2-CG1 4.02Å; F50-V93 HydrophobicContact CZ-CB 4.31Å; F50-V93 HydrophobicContact CZ-CG1 3.48Å; F50-V93 VanDerWaalsContact CZ-CG1 3.48Å; F50-V93 HydrophobicContact CZ-CG2 3.95Å | ||
| 51 | A | 95.7 | Very high | 96.1 | Very high | 33 Ų | 33 | 75.1 Ų | 75.1 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | trans | -65.2 | 156.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y53 E54 R55 | A51-Y53 VanDerWaalsContact C-N 3.27Å; A51-Y53 HydrophobicContact CB-CD1 3.77Å; A51-Y53 HydrophobicContact CB-CE1 3.53Å; A51-Y53 PolarHBondContact O-N 3.43Å; A51-E54 HydrophobicContact CB-CG 4.07Å; A51-E54 PolarHBondContact N-OE2 2.91Å; A51-E54 WeakPolarHBondContact O-CA 3.37Å; A51-E54 WeakPolarHBondContact O-CB 3.47Å; A51-E54 PolarHBondContact O-N 3.39Å; A51-R55 PolarHBondContact O-N 2.96Å | ||
| 52 | P | 97.1 | Very high | 96 | Very high | 95 Ų | 95 | 73.7 Ų | 73.7 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -55.8 | -37.4 | -177.8 | -27 | 34.5 | 0 | 0 | 0 | 114.3 | R55 R56 | P52-R55 PolarHBondContact O-N 2.84Å; P52-R56 PolarHBondContact O-N 3.49Å; P52-R56 VanDerWaalsContact O-N 3.16Å |
| 53 | Y | 96.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 31% | 0.306 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.1 | -30.4 | 176.6 | 77 | -90.6 | 0 | 0 | 0 | 112.6 | A51 A57 F72 | A51-Y53 VanDerWaalsContact C-N 3.27Å; A51-Y53 HydrophobicContact CB-CD1 3.77Å; A51-Y53 HydrophobicContact CB-CE1 3.53Å; A51-Y53 PolarHBondContact O-N 3.43Å; Y53-A57 WeakPolarHBondContact O-CB 3.41Å; Y53-A57 PolarHBondContact O-N 3.02Å; Y53-F72 WeakPolarHBondContact O-CE1 3.4Å |
| 54 | E | 95.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 75.6 Ų | 75.6 | 3% | 0.028 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 176.2 | -62.5 | 178 | 144.4 | 0 | 0 | 109.7 | R45 F50 A51 A57 M58 K86 L90 | R45-E54 IonicContact NH1-OE1 2.86Å; R45-E54 IonicContact NH1-OE2 2.84Å; R45-E54 PolarHBondContact NH1-OE2 2.63Å; R45-E54 IonicContact NH2-OE1 3.84Å; F50-E54 WeakPolarHBondContact CA-OE2 3.44Å; F50-E54 HydrophobicContact CB-CB 4.11Å; F50-E54 HydrophobicContact CD1-CB 4.22Å; A51-E54 HydrophobicContact CB-CG 4.07Å; A51-E54 PolarHBondContact N-OE2 2.91Å; A51-E54 WeakPolarHBondContact O-CA 3.37Å; A51-E54 WeakPolarHBondContact O-CB 3.47Å; A51-E54 PolarHBondContact O-N 3.39Å; E54-A57 PolarHBondContact O-N 3.03Å; E54-M58 WeakPolarHBondContact O-CG 3.37Å; E54-M58 PolarHBondContact O-N 3.17Å; E54-K86 WeakPolarHBondContact OE1-CE 3.45Å; E54-K86 IonicContact OE1-NZ 3.62Å; E54-K86 PolarHBondContact OE1-NZ 3.46Å; E54-L90 HydrophobicContact CB-CD1 4.49Å; E54-L90 HydrophobicContact CB-CD2 4.18Å |
| 55 | R | 96.1 | Very high | 95.9 | Very high | 137 Ų | 137 | 76.1 Ų | 76.1 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 173.9 | -70.1 | -170.7 | -80.5 | 154 | -4.4 | 112.4 | F50 A51 P52 A57 M58 E59 | F50-R55 HydrophobicContact CB-CG 3.9Å; A51-R55 PolarHBondContact O-N 2.96Å; P52-R55 PolarHBondContact O-N 2.84Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 3.31Å; R55-M58 HydrophobicContact CB-CE 4.42Å; R55-M58 HydrophobicContact CG-CE 4.02Å; R55-M58 WeakPolarHBondContact O-CB 3.44Å; R55-M58 PolarHBondContact O-N 3.16Å; R55-M58 VanDerWaalsContact O-N 3.11Å; R55-E59 PolarHBondContact O-N 2.88Å |
| 56 | R | 96.7 | Very high | 95.8 | Very high | 111 Ų | 111 | 75.8 Ų | 75.8 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 175.5 | -172.3 | 172 | -172.8 | -102.9 | 7.9 | 113.1 | P52 L60 F72 | P52-R56 PolarHBondContact O-N 3.49Å; P52-R56 VanDerWaalsContact O-N 3.16Å; R56-L60 WeakPolarHBondContact O-CG 3.47Å; R56-L60 PolarHBondContact O-N 3.01Å; R56-F72 HydrophobicContact CB-CE1 4.04Å; R56-F72 HydrophobicContact CB-CZ 4.32Å; R56-F72 HydrophobicContact CG-CE1 4.11Å; R56-F72 HydrophobicContact CG-CZ 4.22Å |
| 57 | A | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y53 E54 R55 E59 L60 L61 F72 I73 L90 | Y53-A57 WeakPolarHBondContact O-CB 3.41Å; Y53-A57 PolarHBondContact O-N 3.02Å; E54-A57 PolarHBondContact O-N 3.03Å; R55-A57 VanDerWaalsContact C-N 3.27Å; R55-A57 PolarHBondContact O-N 3.31Å; A57-E59 VanDerWaalsContact C-N 3.34Å; A57-E59 PolarHBondContact O-N 3.24Å; A57-L60 PolarHBondContact O-N 3.48Å; A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 3.2Å; A57-F72 HydrophobicContact CB-CD1 4.36Å; A57-I73 HydrophobicContact CB-CD1 3.97Å; A57-I73 HydrophobicContact CB-CG1 3.87Å; A57-L90 HydrophobicContact CB-CD1 3.57Å |
| 58 | M | 96.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 76.6 Ų | 76.6 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 174 | -72.9 | -173.4 | -66.9 | 0 | 0 | 112.2 | F50 E54 R55 L60 L61 K62 L90 V93 L94 | F50-M58 HydrophobicContact CB-CE 3.87Å; F50-M58 HydrophobicContact CD1-CE 4.09Å; F50-M58 HydrophobicContact CD1-SD 4.48Å; F50-M58 HydrophobicContact CD2-CE 3.6Å; F50-M58 HydrophobicContact CD2-SD 4.28Å; F50-M58 HydrophobicContact CE1-SD 4.47Å; F50-M58 HydrophobicContact CE2-CE 4.17Å; F50-M58 HydrophobicContact CE2-SD 4.26Å; F50-M58 HydrophobicContact CG-CE 3.56Å; F50-M58 HydrophobicContact CG-SD 4.4Å; F50-M58 HydrophobicContact CZ-SD 4.39Å; E54-M58 WeakPolarHBondContact O-CG 3.37Å; E54-M58 PolarHBondContact O-N 3.17Å; R55-M58 HydrophobicContact CB-CE 4.42Å; R55-M58 HydrophobicContact CG-CE 4.02Å; R55-M58 WeakPolarHBondContact O-CB 3.44Å; R55-M58 PolarHBondContact O-N 3.16Å; R55-M58 VanDerWaalsContact O-N 3.11Å; M58-L60 PolarHBondContact O-N 3.11Å; M58-L61 PolarHBondContact O-N 3.46Å; M58-K62 WeakPolarHBondContact O-CG 3.19Å; M58-K62 PolarHBondContact O-N 3.45Å; M58-L90 HydrophobicContact CG-CB 4.17Å; M58-L90 HydrophobicContact CG-CD1 4.34Å; M58-L90 HydrophobicContact CG-CD2 3.98Å; M58-L90 HydrophobicContact CG-CG 4.38Å; M58-L90 HydrophobicContact SD-CD2 4.26Å; M58-V93 HydrophobicContact SD-CG1 4.26Å; M58-L94 HydrophobicContact CB-CD1 4.43Å; M58-L94 HydrophobicContact CB-CD2 4.37Å; M58-L94 HydrophobicContact CG-CG 4.48Å |
| 59 | E | 96.4 | Very high | 96 | Very high | 120 Ų | 120 | 71.8 Ų | 71.8 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.1 | -45.2 | 174.1 | -70.3 | 166.6 | -178.1 | 0 | 0 | 112.1 | R55 A57 L61 K62 V63 | R55-E59 PolarHBondContact O-N 2.88Å; A57-E59 VanDerWaalsContact C-N 3.34Å; A57-E59 PolarHBondContact O-N 3.24Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.27Å; E59-K62 PolarHBondContact O-N 3.38Å; E59-V63 PolarHBondContact O-N 3.47Å |
| 60 | L | 96.5 | Very high | 96.1 | Very high | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 176.6 | -69.8 | 173 | 0 | 0 | 0 | 112.4 | R56 A57 M58 K65 R68 A69 F72 | R56-L60 WeakPolarHBondContact O-CG 3.47Å; R56-L60 PolarHBondContact O-N 3.01Å; A57-L60 PolarHBondContact O-N 3.48Å; M58-L60 PolarHBondContact O-N 3.11Å; L60-K65 PolarHBondContact O-N 3.3Å; L60-R68 HydrophobicContact CD1-CG 4.43Å; L60-R68 HydrophobicContact CD2-CG 4.4Å; L60-A69 HydrophobicContact CB-CB 3.87Å; L60-A69 HydrophobicContact CD1-CB 4.43Å; L60-F72 HydrophobicContact CD1-CB 4.23Å; L60-F72 HydrophobicContact CD1-CD1 4.49Å; L60-F72 HydrophobicContact CD1-CG 4.49Å |
| 61 | L | 96 | Very high | 96.2 | Very high | 11 Ų | 11 | 75.9 Ų | 75.9 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.8 | -31.9 | 176.5 | -67.7 | 174.3 | 0 | 0 | 0 | 112.4 | A57 M58 E59 V63 S64 D66 A69 R87 L90 L94 | A57-L61 WeakPolarHBondContact O-CG 3.5Å; A57-L61 PolarHBondContact O-N 3.2Å; M58-L61 PolarHBondContact O-N 3.46Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.27Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.09Å; L61-S64 PolarHBondContact O-N 3.44Å; L61-S64 VanDerWaalsContact O-N 3.14Å; L61-D66 WeakPolarHBondContact CD2-OD1 3.27Å; L61-A69 HydrophobicContact CD2-CB 3.71Å; L61-A69 HydrophobicContact CG-CB 4.01Å; L61-R87 HydrophobicContact CD1-CG 4.41Å; L61-R87 HydrophobicContact CD2-CG 3.97Å; L61-L90 HydrophobicContact CD1-CB 3.76Å; L61-L94 HydrophobicContact CB-CD1 3.64Å; L61-L94 HydrophobicContact CD1-CD1 4.45Å |
| 62 | K | 95.2 | Very high | 96.3 | Very high | 123 Ų | 123 | 75.4 Ų | 75.4 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 174.7 | -75.8 | 177.3 | -178.9 | -175.5 | 0 | 112.5 | M58 E59 S64 L94 | M58-K62 WeakPolarHBondContact O-CG 3.19Å; M58-K62 PolarHBondContact O-N 3.45Å; E59-K62 PolarHBondContact O-N 3.38Å; K62-S64 PolarHBondContact O-N 2.96Å; K62-L94 HydrophobicContact CD-CD2 4.37Å; K62-L94 HydrophobicContact CG-CD1 4.12Å; K62-L94 HydrophobicContact CG-CD2 3.95Å |
| 63 | V | 95.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 56% | 0.564 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 14.2 | 176.9 | -165.1 | 0 | 0 | 0 | 0 | 111.6 | E59 L61 K65 | E59-V63 PolarHBondContact O-N 3.47Å; L61-V63 VanDerWaalsContact C-N 3.31Å; L61-V63 PolarHBondContact O-N 3.09Å; V63-K65 HydrophobicContact CG1-CD 4.47Å; V63-K65 HydrophobicContact CG1-CG 4.47Å; V63-K65 PolarHBondContact O-N 2.9Å; V63-K65 VanDerWaalsContact O-N 3.11Å |
| 64 | S | 93.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 71.9 Ų | 71.9 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 27.4 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 114.5 | L61 K62 D66 | L61-S64 PolarHBondContact O-N 3.44Å; L61-S64 VanDerWaalsContact O-N 3.14Å; K62-S64 PolarHBondContact O-N 2.96Å; S64-D66 VanDerWaalsContact C-N 3.31Å; S64-D66 PolarHBondContact O-N 3.31Å |
| 65 | K | 96.2 | Very high | 96.5 | Very high | 104 Ų | 104 | 79.9 Ų | 79.9 | 45% | 0.452 | 37% | 0.365 | S | S | . | . | trans | -91.7 | 54.2 | 178 | -66.2 | -175.2 | -179.5 | 174.3 | 0 | 111.7 | L60 V63 K67 R68 A69 | L60-K65 PolarHBondContact O-N 3.3Å; V63-K65 HydrophobicContact CG1-CD 4.47Å; V63-K65 HydrophobicContact CG1-CG 4.47Å; V63-K65 PolarHBondContact O-N 2.9Å; V63-K65 VanDerWaalsContact O-N 3.11Å; K65-K67 PolarHBondContact O-N 3.44Å; K65-R68 HydrophobicContact CB-CB 4.21Å; K65-R68 WeakPolarHBondContact O-CB 3.28Å; K65-R68 PolarHBondContact O-N 3.07Å; K65-A69 PolarHBondContact O-N 2.88Å | ||
| 66 | D | 94.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 80.4 Ų | 80.4 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | -168.6 | -62.6 | -29.2 | 0 | 0 | 0 | 114.6 | L61 S64 R68 A69 L70 | L61-D66 WeakPolarHBondContact CD2-OD1 3.27Å; S64-D66 VanDerWaalsContact C-N 3.31Å; S64-D66 PolarHBondContact O-N 3.31Å; D66-R68 VanDerWaalsContact C-N 3.29Å; D66-R68 PolarHBondContact O-N 3.19Å; D66-A69 PolarHBondContact O-N 3.23Å; D66-L70 WeakPolarHBondContact O-CB 3.44Å; D66-L70 PolarHBondContact O-N 3.21Å |
| 67 | K | 96.1 | Very high | 96.4 | Very high | 162 Ų | 162 | 77.5 Ų | 77.5 | 70% | 0.704 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.1 | -36.1 | 177.7 | -170 | 172.6 | -175.7 | 174.8 | 0 | 111.3 | K65 K71 | K65-K67 PolarHBondContact O-N 3.44Å; K67-K71 WeakPolarHBondContact O-CG 3.47Å; K67-K71 PolarHBondContact O-N 3.36Å; K67-K71 VanDerWaalsContact O-N 3.11Å |
| 68 | R | 96.9 | Very high | 96.4 | Very high | 141 Ų | 141 | 79.8 Ų | 79.8 | 53% | 0.532 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.9 | -41.8 | 176.1 | -169.8 | 176.4 | 179.2 | -172.2 | 0.7 | 110.9 | L60 K65 D66 L70 K71 F72 | L60-R68 HydrophobicContact CD1-CG 4.43Å; L60-R68 HydrophobicContact CD2-CG 4.4Å; K65-R68 HydrophobicContact CB-CB 4.21Å; K65-R68 WeakPolarHBondContact O-CB 3.28Å; K65-R68 PolarHBondContact O-N 3.07Å; D66-R68 VanDerWaalsContact C-N 3.29Å; D66-R68 PolarHBondContact O-N 3.19Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-L70 PolarHBondContact O-N 3.32Å; R68-K71 PolarHBondContact O-N 2.93Å; R68-F72 WeakPolarHBondContact O-CB 3.5Å; R68-F72 PolarHBondContact O-N 3.11Å |
| 69 | A | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L60 L61 K65 D66 K71 F72 I73 | L60-A69 HydrophobicContact CB-CB 3.87Å; L60-A69 HydrophobicContact CD1-CB 4.43Å; L61-A69 HydrophobicContact CD2-CB 3.71Å; L61-A69 HydrophobicContact CG-CB 4.01Å; K65-A69 PolarHBondContact O-N 2.88Å; D66-A69 PolarHBondContact O-N 3.23Å; A69-K71 PolarHBondContact O-N 3.19Å; A69-F72 PolarHBondContact O-N 2.88Å; A69-I73 VanDerWaalsContact O-CG1 3.28Å; A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 3.38Å |
| 70 | L | 97.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 80.4 Ų | 80.4 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 178 | -175.2 | 64.1 | 0 | 0 | 0 | 112.6 | D66 R68 F72 I73 K74 A83 K84 | D66-L70 WeakPolarHBondContact O-CB 3.44Å; D66-L70 PolarHBondContact O-N 3.21Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-L70 PolarHBondContact O-N 3.32Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 3.4Å; L70-I73 PolarHBondContact O-N 3.36Å; L70-K74 VanDerWaalsContact O-CB 3.28Å; L70-K74 WeakPolarHBondContact O-CB 3.32Å; L70-K74 PolarHBondContact O-N 3.27Å; L70-A83 HydrophobicContact CD1-CB 3.9Å; L70-K84 HydrophobicContact CD1-CG 3.98Å |
| 71 | K | 97.7 | Very high | 96.6 | Very high | 147 Ų | 147 | 85.4 Ų | 85.4 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 175.1 | -76.4 | -176.8 | 177.9 | -171.8 | 0 | 111.6 | K67 R68 A69 K74 K75 | K67-K71 WeakPolarHBondContact O-CG 3.47Å; K67-K71 PolarHBondContact O-N 3.36Å; K67-K71 VanDerWaalsContact O-N 3.11Å; R68-K71 PolarHBondContact O-N 2.93Å; A69-K71 PolarHBondContact O-N 3.19Å; K71-K74 PolarHBondContact O-N 3.1Å; K71-K75 PolarHBondContact O-N 3.17Å |
| 72 | F | 97.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 92.3 Ų | 92.3 | 10% | 0.096 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 177.9 | 176.3 | -111.9 | 0 | 0 | 0 | 112.2 | Y53 R56 A57 L60 R68 A69 L70 K74 K75 R76 | Y53-F72 WeakPolarHBondContact O-CE1 3.4Å; R56-F72 HydrophobicContact CB-CE1 4.04Å; R56-F72 HydrophobicContact CB-CZ 4.32Å; R56-F72 HydrophobicContact CG-CE1 4.11Å; R56-F72 HydrophobicContact CG-CZ 4.22Å; A57-F72 HydrophobicContact CB-CD1 4.36Å; L60-F72 HydrophobicContact CD1-CB 4.23Å; L60-F72 HydrophobicContact CD1-CD1 4.49Å; L60-F72 HydrophobicContact CD1-CG 4.49Å; R68-F72 WeakPolarHBondContact O-CB 3.5Å; R68-F72 PolarHBondContact O-N 3.11Å; A69-F72 PolarHBondContact O-N 2.88Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 3.4Å; F72-K74 VanDerWaalsContact C-N 3.33Å; F72-K74 PolarHBondContact O-N 3.46Å; F72-K75 PolarHBondContact O-N 2.9Å; F72-R76 HydrophobicContact CE1-CG 4.49Å; F72-R76 HydrophobicContact CE2-CG 4.23Å; F72-R76 HydrophobicContact CZ-CG 4.13Å; F72-R76 PolarHBondContact O-N 3.08Å |
| 73 | I | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.6 | -65.2 | 169 | 0 | 0 | 0 | 110.3 | A57 A69 L70 K75 R76 I77 A83 K86 R87 L90 | A57-I73 HydrophobicContact CB-CD1 3.97Å; A57-I73 HydrophobicContact CB-CG1 3.87Å; A69-I73 VanDerWaalsContact O-CG1 3.28Å; A69-I73 WeakPolarHBondContact O-CG1 3.43Å; A69-I73 PolarHBondContact O-N 3.38Å; L70-I73 PolarHBondContact O-N 3.36Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.38Å; I73-R76 PolarHBondContact O-N 3.28Å; I73-I77 HydrophobicContact CG2-CD1 3.49Å; I73-I77 VanDerWaalsContact CG2-CD1 3.49Å; I73-I77 HydrophobicContact CG2-CG1 4.06Å; I73-I77 PolarHBondContact O-N 3.04Å; I73-A83 HydrophobicContact CB-CB 4.31Å; I73-A83 HydrophobicContact CG2-CB 3.81Å; I73-K86 HydrophobicContact CG2-CB 3.97Å; I73-K86 HydrophobicContact CG2-CG 4.22Å; I73-R87 HydrophobicContact CD1-CB 4.04Å; I73-L90 HydrophobicContact CD1-CD1 4.36Å |
| 74 | K | 97.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 86.8 Ų | 86.8 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 175.8 | -173.4 | -175.7 | 175 | -173 | 0 | 111.4 | L70 K71 F72 R76 G78 A83 | L70-K74 VanDerWaalsContact O-CB 3.28Å; L70-K74 WeakPolarHBondContact O-CB 3.32Å; L70-K74 PolarHBondContact O-N 3.27Å; K71-K74 PolarHBondContact O-N 3.1Å; F72-K74 VanDerWaalsContact C-N 3.33Å; F72-K74 PolarHBondContact O-N 3.46Å; K74-R76 PolarHBondContact O-N 3.32Å; K74-G78 WeakPolarHBondContact CG-O 3.18Å; K74-G78 CarbonylContact O-C 3.52Å; K74-G78 WeakPolarHBondContact O-CA 3.43Å; K74-G78 PolarHBondContact O-N 3.25Å; K74-A83 HydrophobicContact CB-CB 3.9Å |
| 75 | K | 97.5 | Very high | 97 | Very high | 174 Ų | 174 | 91 Ų | 91 | 76% | 0.757 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.4 | -25.5 | 175.5 | -173.5 | 169.3 | -176.4 | 175.5 | 0 | 113.1 | K71 F72 I73 | K71-K75 PolarHBondContact O-N 3.17Å; F72-K75 PolarHBondContact O-N 2.9Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 3.38Å |
| 76 | R | 96.6 | Very high | 97.1 | Very high | 148 Ų | 148 | 87 Ų | 87 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -89.9 | -40.5 | 178.8 | -66.6 | -68.1 | -174.7 | -117.8 | 6.2 | 113.7 | F72 I73 K74 | F72-R76 HydrophobicContact CE1-CG 4.49Å; F72-R76 HydrophobicContact CE2-CG 4.23Å; F72-R76 HydrophobicContact CZ-CG 4.13Å; F72-R76 PolarHBondContact O-N 3.08Å; I73-R76 PolarHBondContact O-N 3.28Å; K74-R76 PolarHBondContact O-N 3.32Å |
| 77 | I | 94.9 | Very high | 97.1 | Very high | 50 Ų | 50 | 86 Ų | 86 | 26% | 0.256 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -98.9 | -19.5 | -173.3 | -56.8 | -177.5 | 0 | 0 | 0 | 112.4 | I73 T79 R82 K86 | I73-I77 HydrophobicContact CG2-CD1 3.49Å; I73-I77 VanDerWaalsContact CG2-CD1 3.49Å; I73-I77 HydrophobicContact CG2-CG1 4.06Å; I73-I77 PolarHBondContact O-N 3.04Å; I77-T79 PolarHBondContact O-N 2.96Å; I77-R82 HydrophobicContact CG2-CB 3.53Å; I77-R82 HydrophobicContact CG2-CG 4.37Å; I77-K86 HydrophobicContact CD1-CB 3.75Å; I77-K86 HydrophobicContact CD1-CG 3.76Å |
| 78 | G | 96.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 82.3 Ų | 82.3 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | trans | 98.9 | -69.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K74 | K74-G78 WeakPolarHBondContact CG-O 3.18Å; K74-G78 CarbonylContact O-C 3.52Å; K74-G78 WeakPolarHBondContact O-CA 3.43Å; K74-G78 PolarHBondContact O-N 3.25Å | ||
| 79 | T | 97.8 | Very high | 97.1 | Very high | 71 Ų | 71 | 79 Ų | 79 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -90.7 | 149.9 | -170.4 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | I77 I81 R82 A83 | I77-T79 PolarHBondContact O-N 2.96Å; T79-I81 PolarHBondContact O-N 3.11Å; T79-R82 PolarHBondContact O-N 3.45Å; T79-R82 WeakPolarHBondContact OG1-CB 3.4Å; T79-R82 WeakPolarHBondContact OG1-CD 3.48Å; T79-R82 VanDerWaalsContact OG1-CG 3.24Å; T79-R82 WeakPolarHBondContact OG1-CG 3.24Å; T79-A83 WeakPolarHBondContact O-CB 3.38Å; T79-A83 PolarHBondContact O-N 2.8Å |
| 80 | H | 97.3 | Very high | 97.1 | Very high | 81 Ų | 81 | 79 Ų | 79 | 38% | 0.375 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | -178.4 | -174.4 | -121 | 0 | 0 | 0 | 113.1 | A83 K84 | H80-A83 PolarHBondContact O-N 2.84Å; H80-K84 WeakPolarHBondContact CE1-CE 3.28Å; H80-K84 PolarHBondContact O-N 3.28Å |
| 81 | I | 97.8 | Very high | 97 | Very high | 126 Ų | 126 | 80.3 Ų | 80.3 | 65% | 0.646 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.9 | -45.5 | 178.9 | -62 | 173.5 | 0 | 0 | 0 | 110.6 | T79 R85 | T79-I81 PolarHBondContact O-N 3.11Å; I81-R85 PolarHBondContact O-N 3.14Å; I81-R85 VanDerWaalsContact O-N 3.09Å |
| 82 | R | 97.4 | Very high | 96.9 | Very high | 156 Ų | 156 | 78.4 Ų | 78.4 | 59% | 0.589 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 176.8 | -65.9 | -179.3 | -173.9 | -178.9 | -1.2 | 111.4 | I77 T79 R85 K86 | I77-R82 HydrophobicContact CG2-CB 3.53Å; I77-R82 HydrophobicContact CG2-CG 4.37Å; T79-R82 PolarHBondContact O-N 3.45Å; T79-R82 WeakPolarHBondContact OG1-CB 3.4Å; T79-R82 WeakPolarHBondContact OG1-CD 3.48Å; T79-R82 VanDerWaalsContact OG1-CG 3.24Å; T79-R82 WeakPolarHBondContact OG1-CG 3.24Å; R82-R85 PolarHBondContact O-N 3.43Å; R82-K86 WeakPolarHBondContact O-CB 3.22Å; R82-K86 PolarHBondContact O-N 3.48Å |
| 83 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L70 I73 K74 T79 H80 K86 R87 | L70-A83 HydrophobicContact CD1-CB 3.9Å; I73-A83 HydrophobicContact CB-CB 4.31Å; I73-A83 HydrophobicContact CG2-CB 3.81Å; K74-A83 HydrophobicContact CB-CB 3.9Å; T79-A83 WeakPolarHBondContact O-CB 3.38Å; T79-A83 PolarHBondContact O-N 2.8Å; H80-A83 PolarHBondContact O-N 2.84Å; A83-K86 PolarHBondContact O-N 3.18Å; A83-R87 WeakPolarHBondContact O-CB 3.4Å; A83-R87 PolarHBondContact O-N 3.33Å |
| 84 | K | 97.6 | Very high | 96.6 | Very high | 99 Ų | 99 | 79.6 Ų | 79.6 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.7 | -50.9 | 172.9 | -82.6 | -175.1 | 163.2 | -178.9 | 0 | 111.1 | L70 H80 K86 R87 E88 | L70-K84 HydrophobicContact CD1-CG 3.98Å; H80-K84 WeakPolarHBondContact CE1-CE 3.28Å; H80-K84 PolarHBondContact O-N 3.28Å; K84-K86 VanDerWaalsContact C-N 3.26Å; K84-K86 PolarHBondContact O-N 3.04Å; K84-R87 WeakPolarHBondContact O-CB 3.44Å; K84-R87 PolarHBondContact O-N 2.92Å; K84-E88 WeakPolarHBondContact O-CG 3.5Å; K84-E88 PolarHBondContact O-N 3.02Å |
| 85 | R | 97.1 | Very high | 96.5 | Very high | 183 Ų | 183 | 77.3 Ų | 77.3 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55 | -43.7 | 177.5 | -172.9 | -177.6 | -62.2 | 172.7 | -0.1 | 111.8 | I81 R82 E88 E89 | I81-R85 PolarHBondContact O-N 3.14Å; I81-R85 VanDerWaalsContact O-N 3.09Å; R82-R85 PolarHBondContact O-N 3.43Å; R85-E88 PolarHBondContact O-N 3.21Å; R85-E89 PolarHBondContact O-N 3.39Å; R85-E89 VanDerWaalsContact O-N 3.1Å |
| 86 | K | 97.4 | Very high | 96.3 | Very high | 19 Ų | 19 | 71.9 Ų | 71.9 | 8% | 0.083 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.5 | -37 | -179.3 | -170.2 | 59.6 | 174.4 | -177.8 | 0 | 113.1 | E54 I73 I77 R82 A83 K84 E89 L90 | E54-K86 WeakPolarHBondContact OE1-CE 3.45Å; E54-K86 IonicContact OE1-NZ 3.62Å; E54-K86 PolarHBondContact OE1-NZ 3.46Å; I73-K86 HydrophobicContact CG2-CB 3.97Å; I73-K86 HydrophobicContact CG2-CG 4.22Å; I77-K86 HydrophobicContact CD1-CB 3.75Å; I77-K86 HydrophobicContact CD1-CG 3.76Å; R82-K86 WeakPolarHBondContact O-CB 3.22Å; R82-K86 PolarHBondContact O-N 3.48Å; A83-K86 PolarHBondContact O-N 3.18Å; K84-K86 VanDerWaalsContact C-N 3.26Å; K84-K86 PolarHBondContact O-N 3.04Å; K86-E89 WeakPolarHBondContact CD-OE2 3.44Å; K86-E89 IonicContact NZ-OE1 2.91Å; K86-E89 PolarHBondContact NZ-OE1 3Å; K86-E89 IonicContact NZ-OE2 2.63Å; K86-E89 PolarHBondContact NZ-OE2 3.34Å; K86-E89 PolarHBondContact O-N 3.06Å; K86-L90 WeakPolarHBondContact O-CG 3.41Å; K86-L90 PolarHBondContact O-N 3.29Å; K86-L90 VanDerWaalsContact O-N 3.08Å |
| 87 | R | 96.3 | Very high | 96.1 | Very high | 56 Ų | 56 | 69.9 Ų | 69.9 | 21% | 0.211 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.1 | -173.2 | -166.9 | 66.6 | 174.1 | 3.5 | 111.2 | L61 I73 A83 K84 L90 S91 | L61-R87 HydrophobicContact CD1-CG 4.41Å; L61-R87 HydrophobicContact CD2-CG 3.97Å; I73-R87 HydrophobicContact CD1-CB 4.04Å; A83-R87 WeakPolarHBondContact O-CB 3.4Å; A83-R87 PolarHBondContact O-N 3.33Å; K84-R87 WeakPolarHBondContact O-CB 3.44Å; K84-R87 PolarHBondContact O-N 2.92Å; R87-L90 PolarHBondContact O-N 3.48Å; R87-S91 WeakPolarHBondContact O-CB 3.33Å; R87-S91 PolarHBondContact O-N 3.5Å |
| 88 | E | 96.4 | Very high | 96 | Very high | 84 Ų | 84 | 74.8 Ų | 74.8 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.1 | -63.1 | -47.6 | 130.4 | 0 | 0 | 112 | K84 R85 L90 S91 N92 | K84-E88 WeakPolarHBondContact O-CG 3.5Å; K84-E88 PolarHBondContact O-N 3.02Å; R85-E88 PolarHBondContact O-N 3.21Å; E88-L90 PolarHBondContact O-N 3.45Å; E88-S91 PolarHBondContact O-N 2.88Å; E88-N92 WeakPolarHBondContact O-CB 3.24Å; E88-N92 VanDerWaalsContact O-CG 3.24Å; E88-N92 PolarHBondContact O-N 3.49Å; E88-N92 PolarHBondContact O-ND2 3.34Å |
| 89 | E | 95.6 | Very high | 95.9 | Very high | 71 Ų | 71 | 79.5 Ų | 79.5 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.3 | -49 | 174.2 | -174.1 | -168.5 | 150.8 | 0 | 0 | 111.5 | R45 R85 K86 N92 V93 | R45-E89 IonicContact CZ-OE1 3.02Å; R45-E89 IonicContact NH2-OE1 3.56Å; R45-E89 PolarHBondContact NH2-OE1 3.4Å; R85-E89 PolarHBondContact O-N 3.39Å; R85-E89 VanDerWaalsContact O-N 3.1Å; K86-E89 WeakPolarHBondContact CD-OE2 3.44Å; K86-E89 IonicContact NZ-OE1 2.91Å; K86-E89 PolarHBondContact NZ-OE1 3Å; K86-E89 IonicContact NZ-OE2 2.63Å; K86-E89 PolarHBondContact NZ-OE2 3.34Å; K86-E89 PolarHBondContact O-N 3.06Å; E89-N92 PolarHBondContact O-N 2.89Å; E89-V93 WeakPolarHBondContact O-CG2 3.45Å; E89-V93 PolarHBondContact O-N 3.11Å; E89-V93 VanDerWaalsContact O-N 3.09Å |
| 90 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.9 | -33.9 | 179.8 | -64.8 | -179.8 | 0 | 0 | 0 | 112.8 | F50 E54 A57 M58 L61 I73 K86 R87 E88 V93 L94 | F50-L90 HydrophobicContact CD1-CD2 4.24Å; F50-L90 HydrophobicContact CE1-CD2 4.14Å; E54-L90 HydrophobicContact CB-CD1 4.49Å; E54-L90 HydrophobicContact CB-CD2 4.18Å; A57-L90 HydrophobicContact CB-CD1 3.57Å; M58-L90 HydrophobicContact CG-CB 4.17Å; M58-L90 HydrophobicContact CG-CD1 4.34Å; M58-L90 HydrophobicContact CG-CD2 3.98Å; M58-L90 HydrophobicContact CG-CG 4.38Å; M58-L90 HydrophobicContact SD-CD2 4.26Å; L61-L90 HydrophobicContact CD1-CB 3.76Å; I73-L90 HydrophobicContact CD1-CD1 4.36Å; K86-L90 WeakPolarHBondContact O-CG 3.41Å; K86-L90 PolarHBondContact O-N 3.29Å; K86-L90 VanDerWaalsContact O-N 3.08Å; R87-L90 PolarHBondContact O-N 3.48Å; E88-L90 PolarHBondContact O-N 3.45Å; L90-V93 PolarHBondContact O-N 3.48Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.03Å |
| 91 | S | 96.1 | Very high | 95.5 | Very high | 52 Ų | 52 | 78.2 Ų | 78.2 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 174.1 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | R87 E88 V93 L94 A95 | R87-S91 WeakPolarHBondContact O-CB 3.33Å; R87-S91 PolarHBondContact O-N 3.5Å; E88-S91 PolarHBondContact O-N 2.88Å; S91-V93 VanDerWaalsContact C-N 3.34Å; S91-V93 PolarHBondContact O-N 2.93Å; S91-L94 PolarHBondContact O-N 2.91Å; S91-A95 PolarHBondContact O-N 3.47Å |
| 92 | N | 95.6 | Very high | 95.3 | Very high | 107 Ų | 107 | 75.6 Ų | 75.6 | 57% | 0.572 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 177.4 | -69.9 | -24.9 | 0 | 0 | 0 | 112.3 | E88 E89 A95 A96 | E88-N92 WeakPolarHBondContact O-CB 3.24Å; E88-N92 VanDerWaalsContact O-CG 3.24Å; E88-N92 PolarHBondContact O-N 3.49Å; E88-N92 PolarHBondContact O-ND2 3.34Å; E89-N92 PolarHBondContact O-N 2.89Å; N92-A95 PolarHBondContact O-N 3.48Å; N92-A96 WeakPolarHBondContact O-CB 3.24Å; N92-A96 PolarHBondContact O-N 3.35Å |
| 93 | V | 94.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 76 Ų | 76 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 172.8 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | F50 M58 E89 L90 S91 A95 A96 M97 | F50-V93 HydrophobicContact CE1-CG1 4.33Å; F50-V93 HydrophobicContact CE1-CG2 4.26Å; F50-V93 HydrophobicContact CE2-CG1 4.02Å; F50-V93 HydrophobicContact CZ-CB 4.31Å; F50-V93 HydrophobicContact CZ-CG1 3.48Å; F50-V93 VanDerWaalsContact CZ-CG1 3.48Å; F50-V93 HydrophobicContact CZ-CG2 3.95Å; M58-V93 HydrophobicContact SD-CG1 4.26Å; E89-V93 WeakPolarHBondContact O-CG2 3.45Å; E89-V93 PolarHBondContact O-N 3.11Å; E89-V93 VanDerWaalsContact O-N 3.09Å; L90-V93 PolarHBondContact O-N 3.48Å; S91-V93 VanDerWaalsContact C-N 3.34Å; S91-V93 PolarHBondContact O-N 2.93Å; V93-A95 VanDerWaalsContact C-N 3.32Å; V93-A95 PolarHBondContact O-N 3.22Å; V93-A96 PolarHBondContact O-N 3.43Å; V93-M97 HydrophobicContact CG1-CG 4.4Å; V93-M97 HydrophobicContact CG1-SD 4.07Å; V93-M97 WeakPolarHBondContact O-CG 3.39Å; V93-M97 PolarHBondContact O-N 3.09Å |
| 94 | L | 94.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 85.3 Ų | 85.3 | 5% | 0.052 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 179.3 | -72.7 | 175.1 | 0 | 0 | 0 | 112.3 | M58 L61 K62 L90 S91 M97 R98 | M58-L94 HydrophobicContact CB-CD1 4.43Å; M58-L94 HydrophobicContact CB-CD2 4.37Å; M58-L94 HydrophobicContact CG-CG 4.48Å; L61-L94 HydrophobicContact CB-CD1 3.64Å; L61-L94 HydrophobicContact CD1-CD1 4.45Å; K62-L94 HydrophobicContact CD-CD2 4.37Å; K62-L94 HydrophobicContact CG-CD1 4.12Å; K62-L94 HydrophobicContact CG-CD2 3.95Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.03Å; S91-L94 PolarHBondContact O-N 2.91Å; L94-M97 HydrophobicContact CD2-SD 4.49Å; L94-M97 PolarHBondContact O-N 3.03Å; L94-R98 VanDerWaalsContact O-CG 3.31Å; L94-R98 WeakPolarHBondContact O-CG 3.43Å; L94-R98 PolarHBondContact O-N 3.5Å |
| 95 | A | 94.3 | Very high | 91.6 | Very high | 53 Ų | 53 | 91.4 Ų | 91.4 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S91 N92 V93 R98 K99 | S91-A95 PolarHBondContact O-N 3.47Å; N92-A95 PolarHBondContact O-N 3.48Å; V93-A95 VanDerWaalsContact C-N 3.32Å; V93-A95 PolarHBondContact O-N 3.22Å; A95-R98 PolarHBondContact O-N 3.39Å; A95-K99 PolarHBondContact O-N 2.88Å |
| 96 | A | 93.5 | Very high | 91.3 | Very high | 60 Ų | 60 | 86.9 Ų | 86.9 | 50% | 0.496 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | N92 V93 K99 A100 | N92-A96 WeakPolarHBondContact O-CB 3.24Å; N92-A96 PolarHBondContact O-N 3.35Å; V93-A96 PolarHBondContact O-N 3.43Å; A96-K99 PolarHBondContact O-N 2.92Å; A96-A100 WeakPolarHBondContact O-CB 3.36Å; A96-A100 PolarHBondContact O-N 3.44Å |
| 97 | M | 92.9 | Very high | 91 | Very high | 106 Ų | 106 | 90.4 Ų | 90.4 | 52% | 0.522 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.6 | -70.1 | 179.8 | 82.7 | 0 | 0 | 112 | V93 L94 K99 A100 A101 | V93-M97 HydrophobicContact CG1-CG 4.4Å; V93-M97 HydrophobicContact CG1-SD 4.07Å; V93-M97 WeakPolarHBondContact O-CG 3.39Å; V93-M97 PolarHBondContact O-N 3.09Å; L94-M97 HydrophobicContact CD2-SD 4.49Å; L94-M97 PolarHBondContact O-N 3.03Å; M97-K99 PolarHBondContact O-N 3.29Å; M97-A100 PolarHBondContact O-N 3.24Å; M97-A101 PolarHBondContact O-N 3.46Å |
| 98 | R | 93.3 | Very high | 90.7 | Very high | 152 Ų | 152 | 92.3 Ų | 92.3 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 175.8 | -74.8 | 173.7 | -179.2 | 166.7 | 0.1 | 111.7 | L94 A95 A100 A101 A102 | L94-R98 VanDerWaalsContact O-CG 3.31Å; L94-R98 WeakPolarHBondContact O-CG 3.43Å; L94-R98 PolarHBondContact O-N 3.5Å; A95-R98 PolarHBondContact O-N 3.39Å; R98-A100 VanDerWaalsContact C-N 3.34Å; R98-A100 PolarHBondContact O-N 3.38Å; R98-A101 PolarHBondContact O-N 3.06Å; R98-A102 WeakPolarHBondContact O-CB 3.19Å; R98-A102 PolarHBondContact O-N 3.04Å |
| 99 | K | 94.4 | Very high | 90.3 | Very high | 146 Ų | 146 | 92.8 Ų | 92.8 | 64% | 0.635 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 177.3 | -174.9 | 176.5 | -178.4 | 176.3 | 0 | 112.5 | A95 A96 M97 K103 | A95-K99 PolarHBondContact O-N 2.88Å; A96-K99 PolarHBondContact O-N 2.92Å; M97-K99 PolarHBondContact O-N 3.29Å; K99-K103 PolarHBondContact O-N 3.41Å |
| 100 | A | 93.3 | Very high | 90 | Very high | 64 Ų | 64 | 94.2 Ų | 94.2 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A96 M97 R98 K103 | A96-A100 WeakPolarHBondContact O-CB 3.36Å; A96-A100 PolarHBondContact O-N 3.44Å; M97-A100 PolarHBondContact O-N 3.24Å; R98-A100 VanDerWaalsContact C-N 3.34Å; R98-A100 PolarHBondContact O-N 3.38Å; A100-K103 PolarHBondContact O-N 3.46Å |
| 101 | A | 92.6 | Very high | 89.6 | Confident | 61 Ų | 61 | 100.5 Ų | 100.5 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M97 R98 K103 K104 | M97-A101 PolarHBondContact O-N 3.46Å; R98-A101 PolarHBondContact O-N 3.06Å; A101-K103 PolarHBondContact O-N 3.27Å; A101-K104 WeakPolarHBondContact O-CB 3.44Å; A101-K104 PolarHBondContact O-N 3.44Å |
| 102 | A | 93.2 | Very high | 89.1 | Confident | 71 Ų | 71 | 103.9 Ų | 103.9 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -13.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | R98 | R98-A102 WeakPolarHBondContact O-CB 3.19Å; R98-A102 PolarHBondContact O-N 3.04Å |
| 103 | K | 88.9 | Confident | 88.6 | Confident | 165 Ų | 165 | 103.7 Ų | 103.7 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -12.4 | 173.8 | -79.3 | -170.3 | 170.3 | -159.7 | 0 | 113.5 | K99 A100 A101 | K99-K103 PolarHBondContact O-N 3.41Å; A100-K103 PolarHBondContact O-N 3.46Å; A101-K103 PolarHBondContact O-N 3.27Å |
| 104 | K | 75.3 | Confident | 88.1 | Confident | 195 Ų | 195 | 109.3 Ų | 109.3 | 85% | 0.848 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -21.2 | -176.1 | -167.4 | 178.9 | 176.4 | -174.2 | 0 | 111.3 | A101 | A101-K104 WeakPolarHBondContact O-CB 3.44Å; A101-K104 PolarHBondContact O-N 3.44Å |
| 105 | E | 50.7 | Low | 87.5 | Confident | 228 Ų | 228 | 118.3 Ų | 118.3 | 100% | 1.065 | 63% | 0.629 | S | S | * | * | trans | -80 | 0 | 157.9 | -64.3 | -173.1 | 171.3 | 0 | 0 | 109.7 |
Retrieved 105 of 105 residues in 269.9 ms
(Link to these results)