| 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 | 39.8 | Very low | 52.5 | Low | 251 Ų | 251 | 159.1 Ų | 159.1 | 100% | 1.236 | 84% | 0.836 | S | S | * | * | 0 | 114.8 | 0 | -69.3 | -166.4 | -173.4 | 0 | 0 | 108.8 | |||||
| 2 | A | 41.2 | Very low | 53.1 | Low | 111 Ų | 111 | 152.2 Ų | 152.2 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -85 | 116.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | S | 47.6 | Very low | 53.7 | Low | 120 Ų | 120 | 156.2 Ų | 156.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -110.9 | 129.8 | 171.1 | -110.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | K | 48.5 | Very low | 54.3 | Low | 217 Ų | 217 | 155.2 Ų | 155.2 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -44.9 | 128.9 | -171.2 | -72.8 | 169.5 | 173.6 | 173.7 | 0 | 113.9 | ||||
| 5 | R | 52.4 | Low | 54.8 | Low | 247 Ų | 247 | 152.7 Ų | 152.7 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 124.4 | 169.2 | -78.6 | -175.9 | -179.2 | 180 | 0.6 | 110.8 | ||
| 6 | R | 54.7 | Low | 55.4 | Low | 223 Ų | 223 | 151.8 Ų | 151.8 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 137.4 | 157.3 | -87.5 | 177.8 | 169.8 | 165 | -3.5 | 108.7 | ||
| 7 | N | 56.7 | Low | 55.8 | Low | 176 Ų | 176 | 149.2 Ų | 149.2 | 94% | 0.941 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 129.9 | 163 | -99.6 | -12.1 | 0 | 0 | 0 | 108.9 | ||
| 8 | M | 59.5 | Low | 56.7 | Low | 127 Ų | 127 | 145.6 Ų | 145.6 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | trans | -110.3 | 154.5 | -178.8 | -58.2 | -75.7 | -78.7 | 0 | 0 | 111.7 | E12 | M8-E12 WeakPolarHBondContact CB-OE1 3.04Å; M8-E12 WeakPolarHBondContact CB-OE2 2.97Å; M8-E12 VanDerWaalsContact CE-CD 3.47Å; M8-E12 WeakPolarHBondContact CE-OE1 3.07Å; M8-E12 WeakPolarHBondContact CE-OE2 3.11Å | ||
| 9 | S | 55.2 | Low | 57.4 | Low | 85 Ų | 85 | 142.2 Ų | 142.2 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | trans | -86.2 | 162 | -163.2 | -178.9 | 0 | 0 | 0 | 0 | 115 | S11 E12 | S9-S11 VanDerWaalsContact C-N 3.25Å; S9-S11 PolarHBondContact O-N 3.15Å; S9-S11 VanDerWaalsContact O-N 3.13Å; S9-E12 WeakPolarHBondContact O-CB 3.17Å; S9-E12 PolarHBondContact O-N 3.26Å | ||
| 10 | C | 61.1 | Low | 58 | Low | 107 Ų | 107 | 141 Ų | 141 | 72% | 0.723 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -33.9 | -175 | -172.7 | 0 | 0 | 0 | 0 | 115.1 | E12 R13 | C10-E12 PolarHBondContact O-N 3.05Å; C10-R13 PolarHBondContact O-N 3.5Å |
| 11 | S | 60.6 | Low | 58.6 | Low | 86 Ų | 86 | 139.4 Ų | 139.4 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -53.2 | -27.7 | 177.1 | -168 | 0 | 0 | 0 | 0 | 113 | S9 R13 | S9-S11 VanDerWaalsContact C-N 3.25Å; S9-S11 PolarHBondContact O-N 3.15Å; S9-S11 VanDerWaalsContact O-N 3.13Å; S11-R13 PolarHBondContact O-N 3.26Å |
| 12 | E | 60.4 | Low | 60.3 | Low | 76 Ų | 76 | 135.1 Ų | 135.1 | 36% | 0.355 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -80.5 | -15.9 | -173 | -67.3 | 172.8 | -156.1 | 0 | 0 | 114.4 | M8 S9 C10 K16 | M8-E12 WeakPolarHBondContact CB-OE1 3.04Å; M8-E12 WeakPolarHBondContact CB-OE2 2.97Å; M8-E12 VanDerWaalsContact CE-CD 3.47Å; M8-E12 WeakPolarHBondContact CE-OE1 3.07Å; M8-E12 WeakPolarHBondContact CE-OE2 3.11Å; S9-E12 WeakPolarHBondContact O-CB 3.17Å; S9-E12 PolarHBondContact O-N 3.26Å; C10-E12 PolarHBondContact O-N 3.05Å; E12-K16 WeakPolarHBondContact O-CG 3.45Å |
| 13 | R | 60.9 | Low | 62 | Low | 204 Ų | 204 | 133.5 Ų | 133.5 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -84.3 | -39.5 | -179.6 | -67.9 | -173.7 | -163.8 | 166.9 | 5.4 | 113 | C10 S11 Q15 K16 | C10-R13 PolarHBondContact O-N 3.5Å; S11-R13 PolarHBondContact O-N 3.26Å; R13-Q15 VanDerWaalsContact C-N 3.3Å; R13-K16 PolarHBondContact O-N 3.47Å |
| 14 | H | 62.1 | Low | 63.3 | Low | 143 Ų | 143 | 134.7 Ų | 134.7 | 66% | 0.662 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.8 | -37.9 | -179.7 | -175.3 | 62.2 | 0 | 0 | 0 | 111.3 | K16 L17 | H14-K16 VanDerWaalsContact C-N 3.3Å; H14-K16 PolarHBondContact O-N 3.39Å; H14-L17 PolarHBondContact O-N 3.27Å |
| 15 | Q | 61.1 | Low | 64.8 | Low | 117 Ų | 117 | 132.1 Ų | 132.1 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -49 | -53.5 | 170.9 | -135.7 | 82.8 | 18.1 | 0 | 0 | 110.6 | R13 L17 V18 D19 | R13-Q15 VanDerWaalsContact C-N 3.3Å; Q15-L17 VanDerWaalsContact C-N 3.32Å; Q15-L17 PolarHBondContact O-N 3.12Å; Q15-L17 VanDerWaalsContact O-N 3.11Å; Q15-V18 PolarHBondContact O-N 2.71Å; Q15-D19 PolarHBondContact O-N 3.22Å |
| 16 | K | 64.5 | Low | 66.1 | Low | 139 Ų | 139 | 124.1 Ų | 124.1 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.5 | -31.7 | -173.4 | -73.2 | -178.7 | -179.8 | -173.3 | 0 | 116.2 | E12 R13 H14 D19 E20 | E12-K16 WeakPolarHBondContact O-CG 3.45Å; R13-K16 PolarHBondContact O-N 3.47Å; H14-K16 VanDerWaalsContact C-N 3.3Å; H14-K16 PolarHBondContact O-N 3.39Å; K16-D19 WeakPolarHBondContact O-CB 3.43Å; K16-E20 PolarHBondContact O-N 2.75Å; K16-E20 VanDerWaalsContact O-N 3.14Å |
| 17 | L | 62.6 | Low | 67.3 | Low | 107 Ų | 107 | 119 Ų | 119 | 56% | 0.56 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -85 | -37.3 | -174 | -123.6 | 164.8 | 0 | 0 | 0 | 112.5 | H14 Q15 D19 E20 N21 | H14-L17 PolarHBondContact O-N 3.27Å; Q15-L17 VanDerWaalsContact C-N 3.32Å; Q15-L17 PolarHBondContact O-N 3.12Å; Q15-L17 VanDerWaalsContact O-N 3.11Å; L17-D19 PolarHBondContact O-N 3.34Å; L17-E20 PolarHBondContact O-N 3.49Å; L17-N21 PolarHBondContact O-N 2.93Å |
| 18 | V | 71.6 | Confident | 68.4 | Low | 84 Ų | 84 | 114.8 Ų | 114.8 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.9 | -39.2 | 167.9 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | Q15 E20 Y22 | Q15-V18 PolarHBondContact O-N 2.71Å; V18-E20 PolarHBondContact O-N 3.36Å; V18-Y22 VanDerWaalsContact O-CB 3.22Å; V18-Y22 WeakPolarHBondContact O-CB 3.23Å; V18-Y22 PolarHBondContact O-N 3.39Å; V18-Y22 VanDerWaalsContact O-N 3.17Å |
| 19 | D | 69.3 | Low | 69.5 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 43% | 0.433 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60 | -42.4 | 175.3 | -58 | -26 | 0 | 0 | 0 | 111.6 | Q15 K16 L17 C23 | Q15-D19 PolarHBondContact O-N 3.22Å; K16-D19 WeakPolarHBondContact O-CB 3.43Å; L17-D19 PolarHBondContact O-N 3.34Å; D19-C23 WeakPolarHBondContact O-CB 3.43Å; D19-C23 PolarHBondContact O-N 2.96Å; D19-C23 PolarHBondContact O-SG 3.09Å |
| 20 | E | 70.8 | Confident | 70.7 | Confident | 119 Ų | 119 | 112 Ų | 112 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.7 | -44.1 | -177.9 | -81.6 | -178.5 | -174.9 | 0 | 0 | 115 | K16 L17 V18 C23 K24 | K16-E20 PolarHBondContact O-N 2.75Å; K16-E20 VanDerWaalsContact O-N 3.14Å; L17-E20 PolarHBondContact O-N 3.49Å; V18-E20 PolarHBondContact O-N 3.36Å; E20-C23 VanDerWaalsContact O-CB 3.29Å; E20-C23 WeakPolarHBondContact O-CB 3.21Å; E20-C23 PolarHBondContact O-N 2.87Å; E20-K24 PolarHBondContact O-N 2.78Å |
| 21 | N | 69 | Low | 71.7 | Confident | 108 Ų | 108 | 111.1 Ų | 111.1 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.2 | -34.7 | -179.4 | -87.8 | -35.1 | 0 | 0 | 0 | 112 | L17 C23 K24 K25 | L17-N21 PolarHBondContact O-N 2.93Å; N21-C23 VanDerWaalsContact C-N 3.28Å; N21-C23 PolarHBondContact O-N 3.37Å; N21-K24 PolarHBondContact O-N 3.48Å; N21-K25 PolarHBondContact O-N 3.49Å |
| 22 | Y | 76.1 | Confident | 72.8 | Confident | 160 Ų | 160 | 114.3 Ų | 114.3 | 63% | 0.627 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.4 | -43.8 | 167.7 | -172 | -112.5 | 0 | 0 | 0 | 110.3 | V18 K24 K25 L26 | V18-Y22 VanDerWaalsContact O-CB 3.22Å; V18-Y22 WeakPolarHBondContact O-CB 3.23Å; V18-Y22 PolarHBondContact O-N 3.39Å; V18-Y22 VanDerWaalsContact O-N 3.17Å; Y22-K24 PolarHBondContact O-N 2.77Å; Y22-K25 PolarHBondContact O-N 3.39Å; Y22-L26 HydrophobicContact CD1-CD1 3.61Å; Y22-L26 HydrophobicContact CD1-CG 4.49Å; Y22-L26 HydrophobicContact CE1-CD1 3.47Å; Y22-L26 VanDerWaalsContact CE1-CD1 3.47Å; Y22-L26 HydrophobicContact CE1-CG 4.36Å; Y22-L26 HydrophobicContact CG-CD1 4.25Å; Y22-L26 WeakPolarHBondContact O-CB 3.12Å; Y22-L26 WeakPolarHBondContact O-CG 3.33Å; Y22-L26 PolarHBondContact O-N 3.4Å; Y22-L26 VanDerWaalsContact O-N 3.16Å |
| 23 | C | 76.6 | Confident | 73.9 | Confident | 78 Ų | 78 | 114.5 Ų | 114.5 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58 | -41 | 176.2 | -72.4 | 0 | 0 | 0 | 0 | 114.4 | D19 E20 N21 L26 H27 | D19-C23 WeakPolarHBondContact O-CB 3.43Å; D19-C23 PolarHBondContact O-N 2.96Å; D19-C23 PolarHBondContact O-SG 3.09Å; E20-C23 VanDerWaalsContact O-CB 3.29Å; E20-C23 WeakPolarHBondContact O-CB 3.21Å; E20-C23 PolarHBondContact O-N 2.87Å; N21-C23 VanDerWaalsContact C-N 3.28Å; N21-C23 PolarHBondContact O-N 3.37Å; C23-L26 WeakPolarHBondContact O-CB 3.38Å; C23-H27 PolarHBondContact O-N 3.47Å; C23-H27 VanDerWaalsContact O-N 3.08Å |
| 24 | K | 74.6 | Confident | 74.9 | Confident | 144 Ų | 144 | 108.6 Ų | 108.6 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.3 | -40 | -177.7 | -73.2 | -179.8 | -177.2 | 171.1 | 0 | 113.7 | E20 N21 Y22 L26 H27 V28 | E20-K24 PolarHBondContact O-N 2.78Å; N21-K24 PolarHBondContact O-N 3.48Å; Y22-K24 PolarHBondContact O-N 2.77Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 2.93Å; K24-H27 WeakPolarHBondContact O-CB 3.42Å; K24-H27 PolarHBondContact O-N 2.98Å; K24-H27 VanDerWaalsContact O-N 3.07Å; K24-V28 PolarHBondContact O-N 3.18Å |
| 25 | K | 81.4 | Confident | 76 | Confident | 164 Ų | 164 | 106.4 Ų | 106.4 | 71% | 0.713 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -39 | 176.5 | -169.2 | 175.2 | 179.9 | 180 | 0 | 110.5 | N21 Y22 H27 Q29 | N21-K25 PolarHBondContact O-N 3.49Å; Y22-K25 PolarHBondContact O-N 3.39Å; K25-H27 VanDerWaalsContact C-N 3.27Å; K25-H27 PolarHBondContact O-N 2.78Å; K25-Q29 WeakPolarHBondContact O-CB 3.28Å; K25-Q29 PolarHBondContact O-N 3.03Å |
| 26 | L | 80.3 | Confident | 77.1 | Confident | 79 Ų | 79 | 103.4 Ų | 103.4 | 41% | 0.414 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.9 | -38.7 | 170 | -70.7 | 172.8 | 0 | 0 | 0 | 111.8 | Y22 C23 K24 A30 | Y22-L26 HydrophobicContact CD1-CD1 3.61Å; Y22-L26 HydrophobicContact CD1-CG 4.49Å; Y22-L26 HydrophobicContact CE1-CD1 3.47Å; Y22-L26 VanDerWaalsContact CE1-CD1 3.47Å; Y22-L26 HydrophobicContact CE1-CG 4.36Å; Y22-L26 HydrophobicContact CG-CD1 4.25Å; Y22-L26 WeakPolarHBondContact O-CB 3.12Å; Y22-L26 WeakPolarHBondContact O-CG 3.33Å; Y22-L26 PolarHBondContact O-N 3.4Å; Y22-L26 VanDerWaalsContact O-N 3.16Å; C23-L26 WeakPolarHBondContact O-CB 3.38Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 2.93Å; L26-A30 VanDerWaalsContact O-CB 3.3Å; L26-A30 WeakPolarHBondContact O-CB 3.28Å; L26-A30 PolarHBondContact O-N 2.81Å |
| 27 | H | 78.9 | Confident | 78 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -45.5 | -179.2 | -170.8 | 68.7 | 0 | 0 | 0 | 114.7 | C23 K24 K25 A30 L31 | C23-H27 PolarHBondContact O-N 3.47Å; C23-H27 VanDerWaalsContact O-N 3.08Å; K24-H27 WeakPolarHBondContact O-CB 3.42Å; K24-H27 PolarHBondContact O-N 2.98Å; K24-H27 VanDerWaalsContact O-N 3.07Å; K25-H27 VanDerWaalsContact C-N 3.27Å; K25-H27 PolarHBondContact O-N 2.78Å; H27-A30 WeakPolarHBondContact O-CB 3.29Å; H27-A30 PolarHBondContact O-N 3.27Å; H27-L31 PolarHBondContact O-N 3.48Å |
| 28 | V | 80.1 | Confident | 79 | Confident | 86 Ų | 86 | 99.5 Ų | 99.5 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | 179.5 | 175 | 0 | 0 | 0 | 0 | 111.5 | K24 A30 L31 K32 | K24-V28 PolarHBondContact O-N 3.18Å; V28-A30 VanDerWaalsContact C-N 3.28Å; V28-L31 PolarHBondContact O-N 3.47Å; V28-K32 PolarHBondContact O-N 3.48Å; V28-K32 VanDerWaalsContact O-N 3.13Å |
| 29 | Q | 82.3 | Confident | 79.6 | Confident | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 173.1 | -165.2 | 166.3 | 0.9 | 0 | 0 | 110.5 | K25 L31 K32 N33 | K25-Q29 WeakPolarHBondContact O-CB 3.28Å; K25-Q29 PolarHBondContact O-N 3.03Å; Q29-L31 PolarHBondContact O-N 3.43Å; Q29-K32 PolarHBondContact O-N 2.82Å; Q29-N33 WeakPolarHBondContact O-CB 3.41Å; Q29-N33 PolarHBondContact O-N 3.41Å; Q29-N33 PolarHBondContact O-ND2 3.23Å; Q29-N33 PolarHBondContact O-OD1 2.83Å |
| 30 | A | 80.7 | Confident | 80.2 | Confident | 40 Ų | 40 | 104.9 Ų | 104.9 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L26 H27 V28 N33 I34 | L26-A30 VanDerWaalsContact O-CB 3.3Å; L26-A30 WeakPolarHBondContact O-CB 3.28Å; L26-A30 PolarHBondContact O-N 2.81Å; H27-A30 WeakPolarHBondContact O-CB 3.29Å; H27-A30 PolarHBondContact O-N 3.27Å; V28-A30 VanDerWaalsContact C-N 3.28Å; A30-N33 WeakPolarHBondContact O-CB 3.37Å; A30-N33 PolarHBondContact O-N 2.94Å; A30-I34 WeakPolarHBondContact O-CB 3.48Å; A30-I34 WeakPolarHBondContact O-CD1 3.17Å; A30-I34 WeakPolarHBondContact O-CG1 3.5Å; A30-I34 PolarHBondContact O-N 3.22Å |
| 31 | L | 82.7 | Confident | 80.8 | Confident | 88 Ų | 88 | 106.7 Ų | 106.7 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 179.2 | -73.1 | 173.2 | 0 | 0 | 0 | 114 | H27 V28 Q29 N33 I34 N35 | H27-L31 PolarHBondContact O-N 3.48Å; V28-L31 PolarHBondContact O-N 3.47Å; Q29-L31 PolarHBondContact O-N 3.43Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-I34 HydrophobicContact CD2-CD1 4.39Å; L31-I34 PolarHBondContact O-N 2.87Å; L31-N35 PolarHBondContact O-N 3.49Å |
| 32 | K | 82.7 | Confident | 81.4 | Confident | 153 Ų | 153 | 107 Ų | 107 | 67% | 0.665 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -37.9 | 174.7 | -74.5 | -174.7 | 178.1 | -178.7 | 0 | 111.7 | V28 Q29 I34 N35 S36 | V28-K32 PolarHBondContact O-N 3.48Å; V28-K32 VanDerWaalsContact O-N 3.13Å; Q29-K32 PolarHBondContact O-N 2.82Å; K32-I34 VanDerWaalsContact C-N 3.32Å; K32-N35 PolarHBondContact O-N 3.49Å; K32-S36 WeakPolarHBondContact O-CB 3.5Å; K32-S36 PolarHBondContact O-N 2.81Å; K32-S36 PolarHBondContact O-OG 3.36Å |
| 33 | N | 82.8 | Confident | 81.7 | Confident | 81 Ų | 81 | 103.2 Ų | 103.2 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 172.2 | -68.3 | -7.2 | 0 | 0 | 0 | 110.5 | Q29 A30 L31 S36 Q37 | Q29-N33 WeakPolarHBondContact O-CB 3.41Å; Q29-N33 PolarHBondContact O-N 3.41Å; Q29-N33 PolarHBondContact O-ND2 3.23Å; Q29-N33 PolarHBondContact O-OD1 2.83Å; A30-N33 WeakPolarHBondContact O-CB 3.37Å; A30-N33 PolarHBondContact O-N 2.94Å; L31-N33 VanDerWaalsContact C-N 3.34Å; N33-S36 WeakPolarHBondContact CA-OG 3.17Å; N33-S36 PolarHBondContact O-OG 3.35Å; N33-Q37 VanDerWaalsContact O-CB 3.24Å; N33-Q37 WeakPolarHBondContact O-CB 3.36Å; N33-Q37 WeakPolarHBondContact O-CG 3.27Å; N33-Q37 PolarHBondContact O-N 3.41Å |
| 34 | I | 83.6 | Confident | 81.9 | Confident | 79 Ų | 79 | 104.8 Ų | 104.8 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.1 | -70.4 | 160.8 | 0 | 0 | 0 | 111.4 | A30 L31 K32 Q37 I38 | A30-I34 WeakPolarHBondContact O-CB 3.48Å; A30-I34 WeakPolarHBondContact O-CD1 3.17Å; A30-I34 WeakPolarHBondContact O-CG1 3.5Å; A30-I34 PolarHBondContact O-N 3.22Å; L31-I34 HydrophobicContact CD2-CD1 4.39Å; L31-I34 PolarHBondContact O-N 2.87Å; K32-I34 VanDerWaalsContact C-N 3.32Å; I34-Q37 WeakPolarHBondContact O-CB 3.29Å; I34-Q37 PolarHBondContact O-N 3.49Å; I34-I38 HydrophobicContact CG2-CD1 3.76Å; I34-I38 HydrophobicContact CG2-CG1 4.39Å; I34-I38 VanDerWaalsContact O-CG1 3.28Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 3.29Å |
| 35 | N | 84.2 | Confident | 82.3 | Confident | 97 Ų | 97 | 102.6 Ų | 102.6 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | -177.6 | -115.3 | -20.6 | 0 | 0 | 0 | 113.1 | L31 K32 I38 R39 | L31-N35 PolarHBondContact O-N 3.49Å; K32-N35 PolarHBondContact O-N 3.49Å; N35-I38 PolarHBondContact O-N 3.46Å; N35-R39 PolarHBondContact O-N 2.92Å |
| 36 | S | 83.7 | Confident | 82.4 | Confident | 54 Ų | 54 | 100.1 Ų | 100.1 | 38% | 0.378 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 172.2 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | K32 N33 I38 R39 N40 | K32-S36 WeakPolarHBondContact O-CB 3.5Å; K32-S36 PolarHBondContact O-N 2.81Å; K32-S36 PolarHBondContact O-OG 3.36Å; N33-S36 WeakPolarHBondContact CA-OG 3.17Å; N33-S36 PolarHBondContact O-OG 3.35Å; S36-I38 VanDerWaalsContact C-N 3.35Å; S36-I38 PolarHBondContact O-N 2.93Å; S36-R39 PolarHBondContact O-N 3.43Å; S36-N40 WeakPolarHBondContact O-CB 3.37Å; S36-N40 PolarHBondContact O-N 3.49Å; S36-N40 PolarHBondContact O-ND2 3.48Å |
| 37 | Q | 83.9 | Confident | 82.5 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 171 | -76.5 | 169.4 | 1.1 | 0 | 0 | 112.1 | N33 I34 N40 R41 | N33-Q37 VanDerWaalsContact O-CB 3.24Å; N33-Q37 WeakPolarHBondContact O-CB 3.36Å; N33-Q37 WeakPolarHBondContact O-CG 3.27Å; N33-Q37 PolarHBondContact O-N 3.41Å; I34-Q37 WeakPolarHBondContact O-CB 3.29Å; I34-Q37 PolarHBondContact O-N 3.49Å; Q37-N40 PolarHBondContact O-N 2.83Å; Q37-R41 WeakPolarHBondContact O-CB 3.27Å; Q37-R41 VanDerWaalsContact O-CG 3.26Å; Q37-R41 WeakPolarHBondContact O-CG 3.47Å; Q37-R41 PolarHBondContact O-N 3.42Å |
| 38 | I | 84.3 | Confident | 82.7 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 33% | 0.328 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 178.3 | -71.1 | 165.8 | 0 | 0 | 0 | 111.2 | I34 N35 S36 N40 R41 M42 | I34-I38 HydrophobicContact CG2-CD1 3.76Å; I34-I38 HydrophobicContact CG2-CG1 4.39Å; I34-I38 VanDerWaalsContact O-CG1 3.28Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 3.29Å; N35-I38 PolarHBondContact O-N 3.46Å; S36-I38 VanDerWaalsContact C-N 3.35Å; S36-I38 PolarHBondContact O-N 2.93Å; I38-N40 PolarHBondContact O-N 3.42Å; I38-R41 WeakPolarHBondContact O-CB 3.39Å; I38-R41 PolarHBondContact O-N 3.48Å; I38-M42 HydrophobicContact CG2-CE 3.57Å; I38-M42 WeakPolarHBondContact O-CG 3.35Å; I38-M42 PolarHBondContact O-N 2.95Å |
| 39 | R | 83.3 | Confident | 82.9 | Confident | 178 Ų | 178 | 98 Ų | 98 | 67% | 0.672 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 177.1 | -72.4 | -173.7 | -160.6 | 168.1 | 3.6 | 112.2 | N35 S36 R41 M42 V43 | N35-R39 PolarHBondContact O-N 2.92Å; S36-R39 PolarHBondContact O-N 3.43Å; R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 3.35Å; R39-M42 PolarHBondContact O-N 3.17Å; R39-V43 WeakPolarHBondContact O-CG2 3.28Å; R39-V43 PolarHBondContact O-N 2.88Å |
| 40 | N | 83.4 | Confident | 83 | Confident | 100 Ų | 100 | 100 Ų | 100 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 176.3 | -70.3 | -10 | 0 | 0 | 0 | 110.9 | S36 Q37 I38 V43 Q44 | S36-N40 WeakPolarHBondContact O-CB 3.37Å; S36-N40 PolarHBondContact O-N 3.49Å; S36-N40 PolarHBondContact O-ND2 3.48Å; Q37-N40 PolarHBondContact O-N 2.83Å; I38-N40 PolarHBondContact O-N 3.42Å; N40-V43 PolarHBondContact O-N 3.34Å; N40-Q44 WeakPolarHBondContact O-CB 3.3Å; N40-Q44 VanDerWaalsContact O-CG 3.22Å; N40-Q44 WeakPolarHBondContact O-CG 3.21Å; N40-Q44 PolarHBondContact O-N 3.33Å |
| 41 | R | 81.7 | Confident | 83.2 | Confident | 157 Ų | 157 | 101.1 Ų | 101.1 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 173.8 | -76.8 | 176.8 | -176.4 | -175.8 | 1.8 | 112.9 | Q37 I38 R39 Q44 N45 | Q37-R41 WeakPolarHBondContact O-CB 3.27Å; Q37-R41 VanDerWaalsContact O-CG 3.26Å; Q37-R41 WeakPolarHBondContact O-CG 3.47Å; Q37-R41 PolarHBondContact O-N 3.42Å; I38-R41 WeakPolarHBondContact O-CB 3.39Å; I38-R41 PolarHBondContact O-N 3.48Å; R39-R41 VanDerWaalsContact C-N 3.28Å; R39-R41 PolarHBondContact O-N 3.35Å; R41-Q44 PolarHBondContact O-N 2.8Å; R41-N45 PolarHBondContact O-N 3.29Å; R41-N45 PolarHBondContact O-OD1 3.32Å |
| 42 | M | 81.4 | Confident | 83.3 | Confident | 115 Ų | 115 | 102.6 Ų | 102.6 | 57% | 0.567 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 176.4 | -68.5 | -172.6 | -164.7 | 0 | 0 | 111.8 | I38 R39 Q44 N45 E46 | I38-M42 HydrophobicContact CG2-CE 3.57Å; I38-M42 WeakPolarHBondContact O-CG 3.35Å; I38-M42 PolarHBondContact O-N 2.95Å; R39-M42 PolarHBondContact O-N 3.17Å; M42-Q44 VanDerWaalsContact C-N 3.32Å; M42-Q44 PolarHBondContact O-N 2.92Å; M42-N45 PolarHBondContact O-N 3.49Å; M42-E46 PolarHBondContact O-N 3.48Å |
| 43 | V | 84.3 | Confident | 83.4 | Confident | 81 Ų | 81 | 103.7 Ų | 103.7 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 177 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | R39 N40 N47 | R39-V43 WeakPolarHBondContact O-CG2 3.28Å; R39-V43 PolarHBondContact O-N 2.88Å; N40-V43 PolarHBondContact O-N 3.34Å; V43-N47 WeakPolarHBondContact CG1-ND2 3.36Å; V43-N47 WeakPolarHBondContact O-CB 3.36Å; V43-N47 VanDerWaalsContact O-CG 3.28Å; V43-N47 PolarHBondContact O-N 3.46Å; V43-N47 PolarHBondContact O-ND2 2.83Å |
| 44 | Q | 80.2 | Confident | 83.6 | Confident | 111 Ų | 111 | 106 Ų | 106 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -52.7 | 170.9 | -78.1 | 170.4 | -20.6 | 0 | 0 | 110.5 | N40 R41 M42 E46 N47 D48 | N40-Q44 WeakPolarHBondContact O-CB 3.3Å; N40-Q44 VanDerWaalsContact O-CG 3.22Å; N40-Q44 WeakPolarHBondContact O-CG 3.21Å; N40-Q44 PolarHBondContact O-N 3.33Å; R41-Q44 PolarHBondContact O-N 2.8Å; M42-Q44 VanDerWaalsContact C-N 3.32Å; M42-Q44 PolarHBondContact O-N 2.92Å; Q44-E46 PolarHBondContact O-N 3.41Å; Q44-N47 CarbonylContact O-C 3.56Å; Q44-N47 PolarHBondContact O-N 3.25Å; Q44-N47 VanDerWaalsContact O-N 3.08Å; Q44-D48 WeakPolarHBondContact O-CB 3.29Å; Q44-D48 PolarHBondContact O-N 3.33Å |
| 45 | N | 82.9 | Confident | 83.7 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 178.8 | -66.8 | -4.3 | 0 | 0 | 0 | 112.9 | R41 M42 N47 D48 D49 | R41-N45 PolarHBondContact O-N 3.29Å; R41-N45 PolarHBondContact O-OD1 3.32Å; M42-N45 PolarHBondContact O-N 3.49Å; N45-N47 VanDerWaalsContact C-N 3.34Å; N45-N47 PolarHBondContact O-N 3.32Å; N45-D48 PolarHBondContact O-N 3.49Å; N45-D49 WeakPolarHBondContact O-CB 3.47Å; N45-D49 VanDerWaalsContact O-CG 3.32Å; N45-D49 PolarHBondContact O-N 2.87Å |
| 46 | E | 83.1 | Confident | 83.9 | Confident | 112 Ų | 112 | 109 Ų | 109 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 176.7 | -73.9 | -178.7 | -177.7 | 0 | 0 | 112.9 | M42 Q44 R50 | M42-E46 PolarHBondContact O-N 3.48Å; Q44-E46 PolarHBondContact O-N 3.41Å; E46-R50 WeakPolarHBondContact O-CB 3.49Å; E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.27Å; E46-R50 VanDerWaalsContact O-N 3.07Å |
| 47 | N | 82.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 111.4 Ų | 111.4 | 40% | 0.401 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 173.7 | -75.5 | -43.9 | 0 | 0 | 0 | 110.9 | V43 Q44 N45 R50 V51 | V43-N47 WeakPolarHBondContact CG1-ND2 3.36Å; V43-N47 WeakPolarHBondContact O-CB 3.36Å; V43-N47 VanDerWaalsContact O-CG 3.28Å; V43-N47 PolarHBondContact O-N 3.46Å; V43-N47 PolarHBondContact O-ND2 2.83Å; Q44-N47 CarbonylContact O-C 3.56Å; Q44-N47 PolarHBondContact O-N 3.25Å; Q44-N47 VanDerWaalsContact O-N 3.08Å; N45-N47 VanDerWaalsContact C-N 3.34Å; N45-N47 PolarHBondContact O-N 3.32Å; N47-R50 WeakPolarHBondContact O-CB 3.42Å; N47-R50 PolarHBondContact O-N 3.4Å; N47-V51 WeakPolarHBondContact O-CB 3.35Å; N47-V51 WeakPolarHBondContact O-CG2 3.4Å; N47-V51 PolarHBondContact O-N 2.68Å |
| 48 | D | 84 | Confident | 84.4 | Confident | 83 Ų | 83 | 113.2 Ų | 113.2 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 175.6 | -65.8 | -23.1 | 0 | 0 | 0 | 110.1 | Q44 N45 R50 V51 E52 | Q44-D48 WeakPolarHBondContact O-CB 3.29Å; Q44-D48 PolarHBondContact O-N 3.33Å; N45-D48 PolarHBondContact O-N 3.49Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 3.49Å; D48-V51 CarbonylContact O-C 3.55Å; D48-V51 WeakPolarHBondContact O-CA 3.48Å; D48-V51 WeakPolarHBondContact O-CB 3.46Å; D48-V51 PolarHBondContact O-N 3.07Å; D48-E52 WeakPolarHBondContact O-CB 3.38Å; D48-E52 WeakPolarHBondContact O-CG 3.43Å; D48-E52 PolarHBondContact O-N 3.05Å |
| 49 | D | 83.8 | Confident | 84.8 | Confident | 80 Ų | 80 | 115 Ų | 115 | 43% | 0.428 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58 | -39.4 | 173.4 | -73.5 | -15.1 | 0 | 0 | 0 | 112.2 | N45 R53 | N45-D49 WeakPolarHBondContact O-CB 3.47Å; N45-D49 VanDerWaalsContact O-CG 3.32Å; N45-D49 PolarHBondContact O-N 2.87Å; D49-R53 WeakPolarHBondContact O-CB 3.27Å; D49-R53 VanDerWaalsContact O-CG 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.46Å; D49-R53 PolarHBondContact O-N 3.12Å |
| 50 | R | 83.4 | Confident | 85.2 | Confident | 154 Ų | 154 | 109.8 Ų | 109.8 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.9 | -37.3 | 175.3 | -76.5 | 172.2 | -178.5 | -167.6 | 2.5 | 111.8 | E46 N47 D48 K54 | E46-R50 WeakPolarHBondContact O-CB 3.49Å; E46-R50 WeakPolarHBondContact O-CG 3.43Å; E46-R50 PolarHBondContact O-N 3.27Å; E46-R50 VanDerWaalsContact O-N 3.07Å; N47-R50 WeakPolarHBondContact O-CB 3.42Å; N47-R50 PolarHBondContact O-N 3.4Å; D48-R50 VanDerWaalsContact C-N 3.29Å; D48-R50 PolarHBondContact O-N 3.49Å; R50-K54 WeakPolarHBondContact O-CB 3.32Å; R50-K54 VanDerWaalsContact O-CG 3.26Å; R50-K54 WeakPolarHBondContact O-CG 3.47Å; R50-K54 PolarHBondContact O-N 3.1Å |
| 51 | V | 86 | Confident | 85.5 | Confident | 64 Ų | 64 | 111 Ų | 111 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 176.5 | 169.6 | 0 | 0 | 0 | 0 | 109.3 | N47 D48 K54 Q55 | N47-V51 WeakPolarHBondContact O-CB 3.35Å; N47-V51 WeakPolarHBondContact O-CG2 3.4Å; N47-V51 PolarHBondContact O-N 2.68Å; D48-V51 CarbonylContact O-C 3.55Å; D48-V51 WeakPolarHBondContact O-CA 3.48Å; D48-V51 WeakPolarHBondContact O-CB 3.46Å; D48-V51 PolarHBondContact O-N 3.07Å; V51-K54 CarbonylContact O-C 3.36Å; V51-K54 PolarHBondContact O-N 2.93Å; V51-Q55 HydrophobicContact CG1-CG 4.33Å; V51-Q55 WeakPolarHBondContact O-CB 3.49Å; V51-Q55 VanDerWaalsContact O-CG 3.27Å; V51-Q55 WeakPolarHBondContact O-CG 3.38Å; V51-Q55 PolarHBondContact O-N 3.21Å |
| 52 | E | 83.9 | Confident | 85.9 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.6 | -46.8 | 175.5 | -73.2 | -175.2 | 179.2 | 0 | 0 | 111.6 | D48 K54 Q55 F56 | D48-E52 WeakPolarHBondContact O-CB 3.38Å; D48-E52 WeakPolarHBondContact O-CG 3.43Å; D48-E52 PolarHBondContact O-N 3.05Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 3.19Å; E52-Q55 WeakPolarHBondContact O-CB 3.38Å; E52-Q55 PolarHBondContact O-N 3.27Å; E52-Q55 VanDerWaalsContact O-N 3.13Å; E52-F56 WeakPolarHBondContact O-CB 3.28Å; E52-F56 PolarHBondContact O-N 3.26Å |
| 53 | R | 84.9 | Confident | 86.3 | Confident | 176 Ų | 176 | 107.4 Ų | 107.4 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.4 | -40.7 | 174.2 | -72.4 | 173.7 | -165.5 | -157.2 | 5.2 | 112.5 | D49 Q55 F56 L57 | D49-R53 WeakPolarHBondContact O-CB 3.27Å; D49-R53 VanDerWaalsContact O-CG 3.22Å; D49-R53 WeakPolarHBondContact O-CG 3.46Å; D49-R53 PolarHBondContact O-N 3.12Å; R53-Q55 VanDerWaalsContact C-N 3.34Å; R53-F56 PolarHBondContact O-N 3.47Å; R53-L57 WeakPolarHBondContact O-CB 3.45Å; R53-L57 VanDerWaalsContact O-CG 3.3Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 3.19Å |
| 54 | K | 86.4 | Confident | 86.5 | Confident | 129 Ų | 129 | 108.6 Ų | 108.6 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.3 | -29.7 | 175.9 | -75.8 | 177.7 | 180 | -177.3 | 0 | 112.7 | R50 V51 E52 R58 | R50-K54 WeakPolarHBondContact O-CB 3.32Å; R50-K54 VanDerWaalsContact O-CG 3.26Å; R50-K54 WeakPolarHBondContact O-CG 3.47Å; R50-K54 PolarHBondContact O-N 3.1Å; V51-K54 CarbonylContact O-C 3.36Å; V51-K54 PolarHBondContact O-N 2.93Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 3.19Å; K54-R58 WeakPolarHBondContact O-CB 3.36Å; K54-R58 WeakPolarHBondContact O-CG 3.39Å; K54-R58 PolarHBondContact O-N 2.9Å; K54-R58 PolarHBondContact O-NE 2.92Å |
| 55 | Q | 86.5 | Confident | 87.1 | Confident | 104 Ų | 104 | 109.7 Ų | 109.7 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -46.9 | 173.2 | -75.2 | 172.2 | -2.3 | 0 | 0 | 109.7 | V51 E52 R53 L57 R58 L59 | V51-Q55 HydrophobicContact CG1-CG 4.33Å; V51-Q55 WeakPolarHBondContact O-CB 3.49Å; V51-Q55 VanDerWaalsContact O-CG 3.27Å; V51-Q55 WeakPolarHBondContact O-CG 3.38Å; V51-Q55 PolarHBondContact O-N 3.21Å; E52-Q55 WeakPolarHBondContact O-CB 3.38Å; E52-Q55 PolarHBondContact O-N 3.27Å; E52-Q55 VanDerWaalsContact O-N 3.13Å; R53-Q55 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 3.36Å; Q55-R58 PolarHBondContact O-N 2.87Å; Q55-R58 VanDerWaalsContact O-N 3.15Å; Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.19Å |
| 56 | F | 88.8 | Confident | 87.4 | Confident | 135 Ų | 135 | 110.2 Ų | 110.2 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.7 | -47 | 175.4 | -179.6 | -102 | 0 | 0 | 0 | 112.5 | E52 R53 R58 L59 L60 | E52-F56 WeakPolarHBondContact O-CB 3.28Å; E52-F56 PolarHBondContact O-N 3.26Å; R53-F56 PolarHBondContact O-N 3.47Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.27Å; F56-L59 PolarHBondContact O-N 3.16Å; F56-L60 PolarHBondContact O-N 3.05Å |
| 57 | L | 89.1 | Confident | 87.8 | Confident | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -35.4 | 175.7 | -73.8 | 170.1 | 0 | 0 | 0 | 112.6 | R53 Q55 Q61 | R53-L57 WeakPolarHBondContact O-CB 3.45Å; R53-L57 VanDerWaalsContact O-CG 3.3Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 3.19Å; Q55-L57 PolarHBondContact O-N 3.36Å; L57-Q61 VanDerWaalsContact O-CB 3.26Å; L57-Q61 WeakPolarHBondContact O-CB 3.3Å; L57-Q61 PolarHBondContact O-N 3.21Å |
| 58 | R | 88.9 | Confident | 88.3 | Confident | 138 Ų | 138 | 111.3 Ų | 111.3 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 174.5 | -86.4 | -178.2 | -88 | -151 | 2.3 | 112.3 | K54 Q55 F56 Q61 N62 | K54-R58 WeakPolarHBondContact O-CB 3.36Å; K54-R58 WeakPolarHBondContact O-CG 3.39Å; K54-R58 PolarHBondContact O-N 2.9Å; K54-R58 PolarHBondContact O-NE 2.92Å; Q55-R58 PolarHBondContact O-N 2.87Å; Q55-R58 VanDerWaalsContact O-N 3.15Å; F56-R58 VanDerWaalsContact C-N 3.3Å; F56-R58 PolarHBondContact O-N 3.27Å; R58-Q61 PolarHBondContact O-N 2.97Å; R58-N62 WeakPolarHBondContact O-CB 3.5Å; R58-N62 PolarHBondContact O-N 3.43Å; R58-N62 PolarHBondContact O-ND2 3.49Å; R58-N62 PolarHBondContact O-OD1 2.85Å |
| 59 | L | 92.1 | Very high | 88.6 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 173.4 | -72.8 | 168.6 | 0 | 0 | 0 | 110.5 | Q55 F56 Q61 N62 E63 | Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.19Å; F56-L59 PolarHBondContact O-N 3.16Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.23Å; L59-N62 WeakPolarHBondContact O-CB 3.36Å; L59-N62 PolarHBondContact O-N 3.04Å; L59-N62 VanDerWaalsContact O-N 3.13Å; L59-E63 WeakPolarHBondContact O-CG 3.37Å; L59-E63 PolarHBondContact O-N 3.28Å |
| 60 | L | 91.7 | Very high | 88.9 | Confident | 67 Ų | 67 | 113 Ų | 113 | 35% | 0.351 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 177.1 | -169.2 | 73.2 | 0 | 0 | 0 | 112.2 | F56 E63 Q64 | F56-L60 PolarHBondContact O-N 3.05Å; L60-E63 PolarHBondContact O-N 2.89Å; L60-Q64 WeakPolarHBondContact O-CB 3.47Å; L60-Q64 VanDerWaalsContact O-CG 3.27Å; L60-Q64 WeakPolarHBondContact O-CG 3.25Å; L60-Q64 PolarHBondContact O-N 3.33Å |
| 61 | Q | 89.9 | Confident | 89.4 | Confident | 125 Ų | 125 | 110 Ų | 110 | 58% | 0.584 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -38.2 | 176.3 | -173.5 | 176.9 | 12.2 | 0 | 0 | 112 | L57 R58 L59 F65 | L57-Q61 VanDerWaalsContact O-CB 3.26Å; L57-Q61 WeakPolarHBondContact O-CB 3.3Å; L57-Q61 PolarHBondContact O-N 3.21Å; R58-Q61 PolarHBondContact O-N 2.97Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.23Å; Q61-F65 VanDerWaalsContact O-CB 3.3Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 3.42Å |
| 62 | N | 90.1 | Very high | 89.7 | Confident | 87 Ų | 87 | 109.6 Ų | 109.6 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 175.3 | -70.4 | -10.7 | 0 | 0 | 0 | 110.9 | R58 L59 Q64 F65 E66 | R58-N62 WeakPolarHBondContact O-CB 3.5Å; R58-N62 PolarHBondContact O-N 3.43Å; R58-N62 PolarHBondContact O-ND2 3.49Å; R58-N62 PolarHBondContact O-OD1 2.85Å; L59-N62 WeakPolarHBondContact O-CB 3.36Å; L59-N62 PolarHBondContact O-N 3.04Å; L59-N62 VanDerWaalsContact O-N 3.13Å; N62-Q64 VanDerWaalsContact C-N 3.35Å; N62-Q64 PolarHBondContact O-N 2.88Å; N62-F65 PolarHBondContact O-N 2.95Å; N62-E66 WeakPolarHBondContact O-CB 3.42Å; N62-E66 WeakPolarHBondContact O-CG 3.38Å; N62-E66 PolarHBondContact O-N 3.36Å |
| 63 | E | 89.2 | Confident | 90.2 | Very high | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.3 | -73.4 | 174.4 | -179.5 | 0 | 0 | 111.3 | L59 L60 E66 L67 | L59-E63 WeakPolarHBondContact O-CG 3.37Å; L59-E63 PolarHBondContact O-N 3.28Å; L60-E63 PolarHBondContact O-N 2.89Å; E63-E66 PolarHBondContact O-N 2.97Å; E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 VanDerWaalsContact O-CG 3.27Å; E63-L67 WeakPolarHBondContact O-CG 3.48Å; E63-L67 PolarHBondContact O-N 3.4Å |
| 64 | Q | 89.8 | Confident | 90.5 | Very high | 106 Ų | 106 | 105 Ų | 105 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174 | -76 | 175.2 | -11.4 | 0 | 0 | 112 | L60 N62 E66 L67 D68 | L60-Q64 WeakPolarHBondContact O-CB 3.47Å; L60-Q64 VanDerWaalsContact O-CG 3.27Å; L60-Q64 WeakPolarHBondContact O-CG 3.25Å; L60-Q64 PolarHBondContact O-N 3.33Å; N62-Q64 VanDerWaalsContact C-N 3.35Å; N62-Q64 PolarHBondContact O-N 2.88Å; Q64-E66 VanDerWaalsContact C-N 3.35Å; Q64-L67 PolarHBondContact O-N 3.23Å; Q64-D68 WeakPolarHBondContact O-CB 3.01Å; Q64-D68 VanDerWaalsContact O-CG 3.26Å; Q64-D68 PolarHBondContact O-N 3.34Å |
| 65 | F | 91.7 | Very high | 90.8 | Very high | 134 Ų | 134 | 103.5 Ų | 103.5 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 177.2 | -178.9 | -95.5 | 0 | 0 | 0 | 112.3 | Q61 N62 M69 | Q61-F65 VanDerWaalsContact O-CB 3.3Å; Q61-F65 WeakPolarHBondContact O-CB 3.43Å; Q61-F65 PolarHBondContact O-N 3.42Å; N62-F65 PolarHBondContact O-N 2.95Å; F65-M69 HydrophobicContact CE1-CE 4.41Å; F65-M69 HydrophobicContact CE1-SD 4.21Å; F65-M69 WeakPolarHBondContact O-CB 3.32Å; F65-M69 PolarHBondContact O-N 3.05Å |
| 66 | E | 90.3 | Very high | 91.2 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 174.3 | -75.9 | 176.2 | -176.3 | 0 | 0 | 110.8 | N62 E63 Q64 M69 E70 | N62-E66 WeakPolarHBondContact O-CB 3.42Å; N62-E66 WeakPolarHBondContact O-CG 3.38Å; N62-E66 PolarHBondContact O-N 3.36Å; E63-E66 PolarHBondContact O-N 2.97Å; Q64-E66 VanDerWaalsContact C-N 3.35Å; E66-M69 PolarHBondContact O-N 3.22Å; E66-E70 WeakPolarHBondContact O-CB 3.45Å; E66-E70 VanDerWaalsContact O-CG 3.32Å; E66-E70 WeakPolarHBondContact O-CG 3.3Å; E66-E70 PolarHBondContact O-N 3.41Å |
| 67 | L | 91.8 | Very high | 91.3 | Very high | 109 Ų | 109 | 98.5 Ų | 98.5 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 175.3 | -71.6 | 170.5 | 0 | 0 | 0 | 112.4 | E63 Q64 M69 E70 E71 | E63-L67 WeakPolarHBondContact O-CB 3.46Å; E63-L67 VanDerWaalsContact O-CG 3.27Å; E63-L67 WeakPolarHBondContact O-CG 3.48Å; E63-L67 PolarHBondContact O-N 3.4Å; Q64-L67 PolarHBondContact O-N 3.23Å; L67-M69 VanDerWaalsContact C-N 3.29Å; L67-M69 PolarHBondContact O-N 3.27Å; L67-E70 PolarHBondContact O-N 2.83Å; L67-E71 WeakPolarHBondContact O-CB 3.37Å; L67-E71 PolarHBondContact O-N 3.46Å |
| 68 | D | 91.9 | Very high | 91.5 | Very high | 102 Ų | 102 | 99 Ų | 99 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 177.3 | -72.7 | -17.4 | 0 | 0 | 0 | 111.2 | Q64 A72 | Q64-D68 WeakPolarHBondContact O-CB 3.01Å; Q64-D68 VanDerWaalsContact O-CG 3.26Å; Q64-D68 PolarHBondContact O-N 3.34Å; D68-A72 VanDerWaalsContact O-CB 3.27Å; D68-A72 WeakPolarHBondContact O-CB 3.46Å; D68-A72 PolarHBondContact O-N 2.94Å |
| 69 | M | 91.1 | Very high | 91.6 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 176.7 | -177.1 | 165.5 | 63.8 | 0 | 0 | 111.5 | F65 E66 L67 A72 I73 | F65-M69 HydrophobicContact CE1-CE 4.41Å; F65-M69 HydrophobicContact CE1-SD 4.21Å; F65-M69 WeakPolarHBondContact O-CB 3.32Å; F65-M69 PolarHBondContact O-N 3.05Å; E66-M69 PolarHBondContact O-N 3.22Å; L67-M69 VanDerWaalsContact C-N 3.29Å; L67-M69 PolarHBondContact O-N 3.27Å; M69-A72 PolarHBondContact O-N 2.84Å; M69-I73 HydrophobicContact CG-CD1 4.04Å; M69-I73 VanDerWaalsContact O-CG1 3.24Å; M69-I73 WeakPolarHBondContact O-CG1 3.21Å; M69-I73 PolarHBondContact O-N 3.39Å |
| 70 | E | 90.4 | Very high | 91.7 | Very high | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.7 | -75.9 | -179.9 | 178 | 0 | 0 | 111.5 | E66 L67 A72 I73 Q74 | E66-E70 WeakPolarHBondContact O-CB 3.45Å; E66-E70 VanDerWaalsContact O-CG 3.32Å; E66-E70 WeakPolarHBondContact O-CG 3.3Å; E66-E70 PolarHBondContact O-N 3.41Å; L67-E70 PolarHBondContact O-N 2.83Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.24Å; E70-I73 PolarHBondContact O-N 2.73Å; E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.31Å; E70-Q74 PolarHBondContact O-N 2.95Å |
| 71 | E | 92.2 | Very high | 91.8 | Very high | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.6 | -163.8 | -169.5 | -176.2 | 0 | 0 | 111.2 | L67 Q74 K75 | L67-E71 WeakPolarHBondContact O-CB 3.37Å; L67-E71 PolarHBondContact O-N 3.46Å; E71-Q74 PolarHBondContact O-N 3.41Å; E71-K75 HydrophobicContact CG-CD 4.26Å; E71-K75 WeakPolarHBondContact O-CB 3.33Å; E71-K75 VanDerWaalsContact O-CG 3.28Å; E71-K75 WeakPolarHBondContact O-CG 3.44Å; E71-K75 PolarHBondContact O-N 3.36Å; E71-K75 WeakPolarHBondContact OE1-CE 3.45Å; E71-K75 IonicContact OE1-NZ 2.68Å; E71-K75 PolarHBondContact OE1-NZ 3.25Å; E71-K75 IonicContact OE2-NZ 3.37Å; E71-K75 PolarHBondContact OE2-NZ 3.34Å |
| 72 | A | 93.9 | Very high | 92 | Very high | 56 Ų | 56 | 100.7 Ų | 100.7 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D68 M69 E70 A76 | D68-A72 VanDerWaalsContact O-CB 3.27Å; D68-A72 WeakPolarHBondContact O-CB 3.46Å; D68-A72 PolarHBondContact O-N 2.94Å; M69-A72 PolarHBondContact O-N 2.84Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.24Å; A72-A76 VanDerWaalsContact O-CB 3.22Å; A72-A76 WeakPolarHBondContact O-CB 3.41Å; A72-A76 PolarHBondContact O-N 3.08Å |
| 73 | I | 93.3 | Very high | 92.2 | Very high | 85 Ų | 85 | 102.9 Ų | 102.9 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 175.2 | -69.4 | 163.5 | 0 | 0 | 0 | 110 | M69 E70 K75 A76 E77 | M69-I73 HydrophobicContact CG-CD1 4.04Å; M69-I73 VanDerWaalsContact O-CG1 3.24Å; M69-I73 WeakPolarHBondContact O-CG1 3.21Å; M69-I73 PolarHBondContact O-N 3.39Å; E70-I73 PolarHBondContact O-N 2.73Å; I73-K75 PolarHBondContact O-N 2.93Å; I73-A76 WeakPolarHBondContact O-CB 3.41Å; I73-A76 PolarHBondContact O-N 3.06Å; I73-A76 VanDerWaalsContact O-N 3.14Å; I73-E77 WeakPolarHBondContact O-CG 3.48Å; I73-E77 PolarHBondContact O-N 3.24Å |
| 74 | Q | 92 | Very high | 92.4 | Very high | 114 Ų | 114 | 102.6 Ų | 102.6 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 178 | -71.7 | 174.9 | 15.7 | 0 | 0 | 111.3 | E70 E71 A76 E77 E78 | E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.31Å; E70-Q74 PolarHBondContact O-N 2.95Å; E71-Q74 PolarHBondContact O-N 3.41Å; Q74-A76 VanDerWaalsContact C-N 3.3Å; Q74-A76 PolarHBondContact O-N 3.42Å; Q74-E77 PolarHBondContact O-N 2.99Å; Q74-E78 WeakPolarHBondContact O-CG 3.39Å; Q74-E78 PolarHBondContact O-N 3.38Å |
| 75 | K | 93 | Very high | 92.6 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 42% | 0.422 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 174.5 | -74.3 | 172.6 | -177.9 | 163.5 | 0 | 112 | E71 I73 N79 | E71-K75 HydrophobicContact CG-CD 4.26Å; E71-K75 WeakPolarHBondContact O-CB 3.33Å; E71-K75 VanDerWaalsContact O-CG 3.28Å; E71-K75 WeakPolarHBondContact O-CG 3.44Å; E71-K75 PolarHBondContact O-N 3.36Å; E71-K75 WeakPolarHBondContact OE1-CE 3.45Å; E71-K75 IonicContact OE1-NZ 2.68Å; E71-K75 PolarHBondContact OE1-NZ 3.25Å; E71-K75 IonicContact OE2-NZ 3.37Å; E71-K75 PolarHBondContact OE2-NZ 3.34Å; I73-K75 PolarHBondContact O-N 2.93Å; K75-N79 VanDerWaalsContact O-CB 3.22Å; K75-N79 WeakPolarHBondContact O-CB 3.41Å; K75-N79 PolarHBondContact O-N 3.45Å; K75-N79 PolarHBondContact O-ND2 3.45Å |
| 76 | A | 93.9 | Very high | 92.6 | Very high | 43 Ų | 43 | 101 Ų | 101 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A72 I73 Q74 K80 | A72-A76 VanDerWaalsContact O-CB 3.22Å; A72-A76 WeakPolarHBondContact O-CB 3.41Å; A72-A76 PolarHBondContact O-N 3.08Å; I73-A76 WeakPolarHBondContact O-CB 3.41Å; I73-A76 PolarHBondContact O-N 3.06Å; I73-A76 VanDerWaalsContact O-N 3.14Å; Q74-A76 VanDerWaalsContact C-N 3.3Å; Q74-A76 PolarHBondContact O-N 3.42Å; A76-K80 WeakPolarHBondContact O-CB 3.29Å; A76-K80 VanDerWaalsContact O-CG 3.27Å; A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.49Å |
| 77 | E | 92.1 | Very high | 92.8 | Very high | 91 Ų | 91 | 100.2 Ų | 100.2 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 174.3 | -73 | -172.5 | 179.6 | 0 | 0 | 112.3 | I73 Q74 N79 K80 R81 | I73-E77 WeakPolarHBondContact O-CG 3.48Å; I73-E77 PolarHBondContact O-N 3.24Å; Q74-E77 PolarHBondContact O-N 2.99Å; E77-N79 VanDerWaalsContact C-N 3.35Å; E77-N79 PolarHBondContact O-N 3.21Å; E77-K80 WeakPolarHBondContact O-CB 3.02Å; E77-K80 PolarHBondContact O-N 2.82Å; E77-R81 WeakPolarHBondContact O-CG 3.3Å; E77-R81 PolarHBondContact O-N 2.94Å; E77-R81 IonicContact OE2-NH2 3.37Å |
| 78 | E | 91.4 | Very high | 92.9 | Very high | 115 Ų | 115 | 100.3 Ų | 100.3 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.6 | -73 | -179.1 | 167.2 | 0 | 0 | 111.3 | Q74 K80 R81 L82 | Q74-E78 WeakPolarHBondContact O-CG 3.39Å; Q74-E78 PolarHBondContact O-N 3.38Å; E78-K80 VanDerWaalsContact C-N 3.33Å; E78-K80 PolarHBondContact O-N 3.33Å; E78-R81 PolarHBondContact O-N 2.96Å; E78-L82 WeakPolarHBondContact O-CB 3.48Å; E78-L82 WeakPolarHBondContact O-CG 3.26Å; E78-L82 PolarHBondContact O-N 3Å |
| 79 | N | 92.8 | Very high | 92.9 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 175.5 | -77.1 | -37.6 | 0 | 0 | 0 | 112.4 | K75 E77 K83 | K75-N79 VanDerWaalsContact O-CB 3.22Å; K75-N79 WeakPolarHBondContact O-CB 3.41Å; K75-N79 PolarHBondContact O-N 3.45Å; K75-N79 PolarHBondContact O-ND2 3.45Å; E77-N79 VanDerWaalsContact C-N 3.35Å; E77-N79 PolarHBondContact O-N 3.21Å; N79-K83 WeakPolarHBondContact O-CB 3.38Å; N79-K83 VanDerWaalsContact O-CG 3.25Å; N79-K83 WeakPolarHBondContact O-CG 3.34Å; N79-K83 PolarHBondContact O-N 3.47Å |
| 80 | K | 93.9 | Very high | 93 | Very high | 132 Ų | 132 | 103 Ų | 103 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 173.1 | -76.6 | 171.9 | -176.7 | 178 | 0 | 110.8 | A76 E77 E78 L82 K83 E84 | A76-K80 WeakPolarHBondContact O-CB 3.29Å; A76-K80 VanDerWaalsContact O-CG 3.27Å; A76-K80 WeakPolarHBondContact O-CG 3.48Å; A76-K80 PolarHBondContact O-N 3.49Å; E77-K80 WeakPolarHBondContact O-CB 3.02Å; E77-K80 PolarHBondContact O-N 2.82Å; E78-K80 VanDerWaalsContact C-N 3.33Å; E78-K80 PolarHBondContact O-N 3.33Å; K80-L82 PolarHBondContact O-N 3.34Å; K80-K83 PolarHBondContact O-N 3.22Å; K80-E84 WeakPolarHBondContact O-CG 3.42Å; K80-E84 PolarHBondContact O-N 2.97Å |
| 81 | R | 93.6 | Very high | 93.2 | Very high | 152 Ų | 152 | 103.7 Ų | 103.7 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 177.6 | -69.9 | 176.4 | -171.2 | 169.8 | 8.5 | 112 | E77 E78 E84 L85 | E77-R81 WeakPolarHBondContact O-CG 3.3Å; E77-R81 PolarHBondContact O-N 2.94Å; E77-R81 IonicContact OE2-NH2 3.37Å; E78-R81 PolarHBondContact O-N 2.96Å; R81-E84 PolarHBondContact O-N 3.06Å; R81-L85 WeakPolarHBondContact O-CB 3.11Å; R81-L85 WeakPolarHBondContact O-CG 3.33Å; R81-L85 PolarHBondContact O-N 3.04Å |
| 82 | L | 93.6 | Very high | 93.3 | Very high | 96 Ų | 96 | 105.8 Ų | 105.8 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176 | -73.6 | 172.7 | 0 | 0 | 0 | 111.6 | E78 K80 L85 Q86 | E78-L82 WeakPolarHBondContact O-CB 3.48Å; E78-L82 WeakPolarHBondContact O-CG 3.26Å; E78-L82 PolarHBondContact O-N 3Å; K80-L82 PolarHBondContact O-N 3.34Å; L82-L85 PolarHBondContact O-N 3.02Å; L82-Q86 WeakPolarHBondContact O-CB 3.46Å; L82-Q86 VanDerWaalsContact O-CG 3.32Å; L82-Q86 WeakPolarHBondContact O-CG 3.34Å; L82-Q86 PolarHBondContact O-N 3.36Å |
| 83 | K | 93.7 | Very high | 93.3 | Very high | 134 Ų | 134 | 108.3 Ų | 108.3 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 175.6 | -74.9 | 175.2 | -178.5 | -176.2 | 0 | 112.2 | N79 K80 L85 Q86 L87 | N79-K83 WeakPolarHBondContact O-CB 3.38Å; N79-K83 VanDerWaalsContact O-CG 3.25Å; N79-K83 WeakPolarHBondContact O-CG 3.34Å; N79-K83 PolarHBondContact O-N 3.47Å; K80-K83 PolarHBondContact O-N 3.22Å; K83-L85 VanDerWaalsContact C-N 3.33Å; K83-L85 PolarHBondContact O-N 3.18Å; K83-Q86 PolarHBondContact O-N 3.45Å; K83-L87 WeakPolarHBondContact O-CB 3.41Å; K83-L87 VanDerWaalsContact O-CG 3.31Å; K83-L87 WeakPolarHBondContact O-CG 3.43Å; K83-L87 PolarHBondContact O-N 3.38Å |
| 84 | E | 93.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 106.9 Ų | 106.9 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 175.5 | -74.6 | 175.6 | -163.3 | 0 | 0 | 112.2 | K80 R81 K88 | K80-E84 WeakPolarHBondContact O-CG 3.42Å; K80-E84 PolarHBondContact O-N 2.97Å; R81-E84 PolarHBondContact O-N 3.06Å; E84-K88 WeakPolarHBondContact O-CB 3.31Å; E84-K88 WeakPolarHBondContact O-CD 3.27Å; E84-K88 VanDerWaalsContact O-CG 3.24Å; E84-K88 WeakPolarHBondContact O-CG 3.31Å; E84-K88 PolarHBondContact O-N 3.48Å |
| 85 | L | 94.6 | Very high | 93.5 | Very high | 98 Ų | 98 | 106.5 Ų | 106.5 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 174.6 | -73.9 | 168.9 | 0 | 0 | 0 | 111.7 | R81 L82 K83 K88 Q89 | R81-L85 WeakPolarHBondContact O-CB 3.11Å; R81-L85 WeakPolarHBondContact O-CG 3.33Å; R81-L85 PolarHBondContact O-N 3.04Å; L82-L85 PolarHBondContact O-N 3.02Å; K83-L85 VanDerWaalsContact C-N 3.33Å; K83-L85 PolarHBondContact O-N 3.18Å; L85-K88 PolarHBondContact O-N 2.86Å; L85-Q89 WeakPolarHBondContact O-CG 3.27Å; L85-Q89 PolarHBondContact O-N 3.46Å |
| 86 | Q | 91.7 | Very high | 93.6 | Very high | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 174.5 | -75.3 | 172.7 | -13.3 | 0 | 0 | 111.2 | L82 K83 K88 Q89 E90 | L82-Q86 WeakPolarHBondContact O-CB 3.46Å; L82-Q86 VanDerWaalsContact O-CG 3.32Å; L82-Q86 WeakPolarHBondContact O-CG 3.34Å; L82-Q86 PolarHBondContact O-N 3.36Å; K83-Q86 PolarHBondContact O-N 3.45Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.22Å; Q86-Q89 WeakPolarHBondContact O-CA 3.43Å; Q86-Q89 WeakPolarHBondContact O-CB 3.47Å; Q86-Q89 PolarHBondContact O-N 3.05Å; Q86-E90 WeakPolarHBondContact O-CG 3.45Å; Q86-E90 PolarHBondContact O-N 2.68Å |
| 87 | L | 93.9 | Very high | 93.6 | Very high | 93 Ų | 93 | 108.5 Ų | 108.5 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 176.6 | -73.1 | 170.5 | 0 | 0 | 0 | 111.6 | K83 Q89 E90 E91 | K83-L87 WeakPolarHBondContact O-CB 3.41Å; K83-L87 VanDerWaalsContact O-CG 3.31Å; K83-L87 WeakPolarHBondContact O-CG 3.43Å; K83-L87 PolarHBondContact O-N 3.38Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.33Å; L87-E90 PolarHBondContact O-N 2.82Å; L87-E91 WeakPolarHBondContact O-CB 3.49Å; L87-E91 VanDerWaalsContact O-CG 3.29Å; L87-E91 WeakPolarHBondContact O-CG 3.17Å; L87-E91 PolarHBondContact O-N 3.29Å |
| 88 | K | 94.8 | Very high | 93.7 | Very high | 111 Ų | 111 | 106.8 Ų | 106.8 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -34.9 | 175.6 | -75.7 | 167.4 | -179.1 | 165.2 | 0 | 112.8 | E84 L85 Q86 K92 | E84-K88 WeakPolarHBondContact O-CB 3.31Å; E84-K88 WeakPolarHBondContact O-CD 3.27Å; E84-K88 VanDerWaalsContact O-CG 3.24Å; E84-K88 WeakPolarHBondContact O-CG 3.31Å; E84-K88 PolarHBondContact O-N 3.48Å; L85-K88 PolarHBondContact O-N 2.86Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.22Å; K88-K92 WeakPolarHBondContact O-CB 3.27Å; K88-K92 VanDerWaalsContact O-CG 3.23Å; K88-K92 WeakPolarHBondContact O-CG 3.28Å; K88-K92 PolarHBondContact O-N 3.31Å; K88-K92 VanDerWaalsContact O-N 3.17Å |
| 89 | Q | 92.3 | Very high | 93.9 | Very high | 132 Ų | 132 | 106.4 Ų | 106.4 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.8 | -43 | 175.2 | -73.4 | 175.4 | -1.2 | 0 | 0 | 111.3 | L85 Q86 L87 K92 L93 | L85-Q89 WeakPolarHBondContact O-CG 3.27Å; L85-Q89 PolarHBondContact O-N 3.46Å; Q86-Q89 WeakPolarHBondContact O-CA 3.43Å; Q86-Q89 WeakPolarHBondContact O-CB 3.47Å; Q86-Q89 PolarHBondContact O-N 3.05Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.33Å; Q89-K92 PolarHBondContact O-N 3.01Å; Q89-L93 WeakPolarHBondContact O-CB 3.4Å; Q89-L93 PolarHBondContact O-N 3.32Å |
| 90 | E | 92.9 | Very high | 94 | Very high | 119 Ų | 119 | 107.1 Ų | 107.1 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 175.8 | -72.1 | 177.2 | 179.1 | 0 | 0 | 111.7 | Q86 L87 L93 A94 | Q86-E90 WeakPolarHBondContact O-CG 3.45Å; Q86-E90 PolarHBondContact O-N 2.68Å; L87-E90 PolarHBondContact O-N 2.82Å; E90-L93 PolarHBondContact O-N 3.46Å; E90-A94 VanDerWaalsContact O-CB 3.24Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.25Å |
| 91 | E | 93.9 | Very high | 94 | Very high | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 174.9 | -77.1 | 175.5 | 175.8 | 0 | 0 | 111.5 | L87 A94 M95 | L87-E91 WeakPolarHBondContact O-CB 3.49Å; L87-E91 VanDerWaalsContact O-CG 3.29Å; L87-E91 WeakPolarHBondContact O-CG 3.17Å; L87-E91 PolarHBondContact O-N 3.29Å; E91-A94 PolarHBondContact O-N 2.99Å; E91-M95 WeakPolarHBondContact O-CB 3.44Å; E91-M95 WeakPolarHBondContact O-CG 3.18Å; E91-M95 PolarHBondContact O-N 3.38Å |
| 92 | K | 95.2 | Very high | 94 | Very high | 137 Ų | 137 | 105.2 Ų | 105.2 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.4 | -46.3 | 174.5 | -76.3 | 174.4 | -177.3 | -176.3 | 0 | 111.2 | K88 Q89 A94 M95 E96 | K88-K92 WeakPolarHBondContact O-CB 3.27Å; K88-K92 VanDerWaalsContact O-CG 3.23Å; K88-K92 WeakPolarHBondContact O-CG 3.28Å; K88-K92 PolarHBondContact O-N 3.31Å; K88-K92 VanDerWaalsContact O-N 3.17Å; Q89-K92 PolarHBondContact O-N 3.01Å; K92-A94 VanDerWaalsContact C-N 3.35Å; K92-M95 HydrophobicContact CG-CE 4.29Å; K92-M95 PolarHBondContact O-N 2.98Å; K92-E96 WeakPolarHBondContact O-CG 3.36Å; K92-E96 PolarHBondContact O-N 3.45Å |
| 93 | L | 94.1 | Very high | 94.1 | Very high | 108 Ų | 108 | 105.7 Ų | 105.7 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 177.7 | -174.9 | 66.1 | 0 | 0 | 0 | 111.1 | Q89 E90 M95 E96 L97 | Q89-L93 WeakPolarHBondContact O-CB 3.4Å; Q89-L93 PolarHBondContact O-N 3.32Å; E90-L93 PolarHBondContact O-N 3.46Å; L93-M95 VanDerWaalsContact C-N 3.34Å; L93-M95 PolarHBondContact O-N 3.05Å; L93-E96 PolarHBondContact O-N 3.31Å; L93-L97 HydrophobicContact CG-CD1 4.06Å; L93-L97 HydrophobicContact CG-CG 4.43Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 3.44Å |
| 94 | A | 94.6 | Very high | 94 | Very high | 56 Ų | 56 | 101.9 Ų | 101.9 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E90 E91 K92 A98 | E90-A94 VanDerWaalsContact O-CB 3.24Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.25Å; E91-A94 PolarHBondContact O-N 2.99Å; K92-A94 VanDerWaalsContact C-N 3.35Å; A94-A98 VanDerWaalsContact O-CB 3.25Å; A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 3.44Å |
| 95 | M | 94.6 | Very high | 94 | Very high | 106 Ų | 106 | 101.3 Ų | 101.3 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 174.4 | -77.1 | -171.7 | -71.9 | 0 | 0 | 112 | E91 K92 L93 A98 K99 | E91-M95 WeakPolarHBondContact O-CB 3.44Å; E91-M95 WeakPolarHBondContact O-CG 3.18Å; E91-M95 PolarHBondContact O-N 3.38Å; K92-M95 HydrophobicContact CG-CE 4.29Å; K92-M95 PolarHBondContact O-N 2.98Å; L93-M95 VanDerWaalsContact C-N 3.34Å; L93-M95 PolarHBondContact O-N 3.05Å; M95-A98 PolarHBondContact O-N 3.02Å; M95-K99 WeakPolarHBondContact O-CG 3.44Å; M95-K99 PolarHBondContact O-N 3.47Å |
| 96 | E | 94.2 | Very high | 93.9 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177 | -68.4 | -53.9 | 140.9 | 0 | 0 | 111.6 | K92 L93 A98 K99 L100 | K92-E96 WeakPolarHBondContact O-CG 3.36Å; K92-E96 PolarHBondContact O-N 3.45Å; L93-E96 PolarHBondContact O-N 3.31Å; E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 2.7Å; E96-K99 PolarHBondContact O-N 2.85Å; E96-K99 IonicContact OE1-NZ 3.32Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 IonicContact OE2-NZ 3.72Å; E96-L100 WeakPolarHBondContact O-CG 3.33Å; E96-L100 PolarHBondContact O-N 3.47Å |
| 97 | L | 93.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 101.2 Ų | 101.2 | 45% | 0.45 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 173 | -72.3 | 173.7 | 0 | 0 | 0 | 112 | L93 K101 | L93-L97 HydrophobicContact CG-CD1 4.06Å; L93-L97 HydrophobicContact CG-CG 4.43Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 3.44Å; L97-K101 WeakPolarHBondContact O-CB 3.22Å; L97-K101 VanDerWaalsContact O-CG 3.26Å; L97-K101 WeakPolarHBondContact O-CG 3.29Å; L97-K101 PolarHBondContact O-N 2.86Å |
| 98 | A | 94.5 | Very high | 93.6 | Very high | 56 Ų | 56 | 101.8 Ų | 101.8 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A94 M95 E96 K101 H102 | A94-A98 VanDerWaalsContact O-CB 3.25Å; A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 3.44Å; M95-A98 PolarHBondContact O-N 3.02Å; E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 2.7Å; A98-K101 PolarHBondContact O-N 3.19Å; A98-H102 VanDerWaalsContact O-CB 3.26Å; A98-H102 WeakPolarHBondContact O-CB 3.37Å; A98-H102 PolarHBondContact O-N 3.25Å |
| 99 | K | 95.5 | Very high | 93.5 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 173.7 | -71.9 | 173.5 | -170.8 | 170.3 | 0 | 111.2 | M95 E96 K101 H102 E103 | M95-K99 WeakPolarHBondContact O-CG 3.44Å; M95-K99 PolarHBondContact O-N 3.47Å; E96-K99 PolarHBondContact O-N 2.85Å; E96-K99 IonicContact OE1-NZ 3.32Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 IonicContact OE2-NZ 3.72Å; K99-K101 VanDerWaalsContact C-N 3.33Å; K99-K101 PolarHBondContact O-N 3.49Å; K99-H102 WeakPolarHBondContact O-CB 3.26Å; K99-H102 PolarHBondContact O-N 2.91Å; K99-E103 WeakPolarHBondContact O-CG 3.26Å; K99-E103 PolarHBondContact O-N 3.2Å |
| 100 | L | 95.2 | Very high | 93.4 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 177.8 | -72.1 | 173 | 0 | 0 | 0 | 111.9 | E96 H102 E103 S104 | E96-L100 WeakPolarHBondContact O-CG 3.33Å; E96-L100 PolarHBondContact O-N 3.47Å; L100-H102 VanDerWaalsContact C-N 3.31Å; L100-H102 PolarHBondContact O-N 3.37Å; L100-E103 PolarHBondContact O-N 2.97Å; L100-S104 WeakPolarHBondContact O-CB 3.39Å; L100-S104 PolarHBondContact O-N 2.86Å; L100-S104 PolarHBondContact O-OG 3.43Å |
| 101 | K | 93.9 | Very high | 93.2 | Very high | 140 Ų | 140 | 97.2 Ų | 97.2 | 61% | 0.609 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -37.7 | 174.3 | -75.7 | 176.8 | -179.8 | -178.1 | 0 | 112.4 | L97 A98 K99 S104 L105 | L97-K101 WeakPolarHBondContact O-CB 3.22Å; L97-K101 VanDerWaalsContact O-CG 3.26Å; L97-K101 WeakPolarHBondContact O-CG 3.29Å; L97-K101 PolarHBondContact O-N 2.86Å; A98-K101 PolarHBondContact O-N 3.19Å; K99-K101 VanDerWaalsContact C-N 3.33Å; K99-K101 PolarHBondContact O-N 3.49Å; K101-S104 WeakPolarHBondContact CA-OG 3.45Å; K101-S104 PolarHBondContact O-OG 2.71Å; K101-L105 WeakPolarHBondContact O-CB 3.48Å; K101-L105 WeakPolarHBondContact O-CG 3.26Å; K101-L105 PolarHBondContact O-N 3.42Å |
| 102 | H | 94.4 | Very high | 92.9 | Very high | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.3 | -38.9 | 179.5 | -174.7 | 59.6 | 0 | 0 | 0 | 111.8 | A98 K99 L100 L105 K106 | A98-H102 VanDerWaalsContact O-CB 3.26Å; A98-H102 WeakPolarHBondContact O-CB 3.37Å; A98-H102 PolarHBondContact O-N 3.25Å; K99-H102 WeakPolarHBondContact O-CB 3.26Å; K99-H102 PolarHBondContact O-N 2.91Å; L100-H102 VanDerWaalsContact C-N 3.31Å; L100-H102 PolarHBondContact O-N 3.37Å; H102-L105 PolarHBondContact O-N 2.94Å; H102-K106 PolarHBondContact CD2-NZ 2.9Å; H102-K106 WeakPolarHBondContact NE2-CE 3.42Å; H102-K106 PolarHBondContact NE2-NZ 3.32Å; H102-K106 WeakPolarHBondContact O-CB 3.25Å; H102-K106 WeakPolarHBondContact O-CG 3.42Å; H102-K106 PolarHBondContact O-N 2.83Å |
| 103 | E | 93.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 94.1 Ų | 94.1 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 172.6 | -73 | 172.1 | 179.6 | 0 | 0 | 111 | K99 L100 L105 K106 D107 | K99-E103 WeakPolarHBondContact O-CG 3.26Å; K99-E103 PolarHBondContact O-N 3.2Å; L100-E103 PolarHBondContact O-N 2.97Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 3.33Å; E103-K106 WeakPolarHBondContact O-CB 3.34Å; E103-K106 PolarHBondContact O-N 3.37Å; E103-K106 VanDerWaalsContact O-N 3.15Å; E103-D107 PolarHBondContact O-N 3.15Å |
| 104 | S | 93.1 | Very high | 92.4 | Very high | 53 Ų | 53 | 89.7 Ų | 89.7 | 37% | 0.371 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 176.1 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | L100 K101 D107 E108 | L100-S104 WeakPolarHBondContact O-CB 3.39Å; L100-S104 PolarHBondContact O-N 2.86Å; L100-S104 PolarHBondContact O-OG 3.43Å; K101-S104 WeakPolarHBondContact CA-OG 3.45Å; K101-S104 PolarHBondContact O-OG 2.71Å; S104-D107 PolarHBondContact O-N 2.92Å; S104-E108 WeakPolarHBondContact O-CB 3.48Å; S104-E108 WeakPolarHBondContact O-CG 3.48Å; S104-E108 PolarHBondContact O-N 3.37Å |
| 105 | L | 92.8 | Very high | 92 | Very high | 92 Ų | 92 | 90.9 Ų | 90.9 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 175.9 | -75.8 | 172.3 | 0 | 0 | 0 | 112.5 | K101 H102 E103 K109 | K101-L105 WeakPolarHBondContact O-CB 3.48Å; K101-L105 WeakPolarHBondContact O-CG 3.26Å; K101-L105 PolarHBondContact O-N 3.42Å; H102-L105 PolarHBondContact O-N 2.94Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 3.33Å; L105-K109 VanDerWaalsContact O-CB 3.29Å; L105-K109 WeakPolarHBondContact O-CB 3.24Å; L105-K109 WeakPolarHBondContact O-CG 3.38Å; L105-K109 PolarHBondContact O-N 3.42Å |
| 106 | K | 93.1 | Very high | 91.6 | Very high | 118 Ų | 118 | 92 Ų | 92 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 173.6 | -82.5 | 174.1 | 170.8 | 163.6 | 0 | 110.8 | H102 E103 K109 M110 | H102-K106 PolarHBondContact CD2-NZ 2.9Å; H102-K106 WeakPolarHBondContact NE2-CE 3.42Å; H102-K106 PolarHBondContact NE2-NZ 3.32Å; H102-K106 WeakPolarHBondContact O-CB 3.25Å; H102-K106 WeakPolarHBondContact O-CG 3.42Å; H102-K106 PolarHBondContact O-N 2.83Å; E103-K106 WeakPolarHBondContact O-CB 3.34Å; E103-K106 PolarHBondContact O-N 3.37Å; E103-K106 VanDerWaalsContact O-N 3.15Å; K106-K109 PolarHBondContact O-N 3.35Å; K106-M110 VanDerWaalsContact O-CB 3.3Å; K106-M110 WeakPolarHBondContact O-CB 3.3Å; K106-M110 PolarHBondContact O-N 3.48Å |
| 107 | D | 89.6 | Confident | 91.3 | Very high | 85 Ų | 85 | 93.2 Ų | 93.2 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 179.5 | -71.9 | -12.1 | 0 | 0 | 0 | 111.6 | E103 S104 M110 R111 | E103-D107 PolarHBondContact O-N 3.15Å; S104-D107 PolarHBondContact O-N 2.92Å; D107-M110 PolarHBondContact O-N 3.04Å; D107-R111 WeakPolarHBondContact O-CB 3.23Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.37Å; D107-R111 PolarHBondContact O-N 2.76Å |
| 108 | E | 89.8 | Confident | 91.2 | Very high | 106 Ų | 106 | 89.7 Ų | 89.7 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.3 | -76.5 | 175.6 | -172.1 | 0 | 0 | 112.2 | S104 R111 Q112 | S104-E108 WeakPolarHBondContact O-CB 3.48Å; S104-E108 WeakPolarHBondContact O-CG 3.48Å; S104-E108 PolarHBondContact O-N 3.37Å; E108-R111 PolarHBondContact O-N 2.91Å; E108-Q112 WeakPolarHBondContact O-CB 3.5Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 3.37Å |
| 109 | K | 92.3 | Very high | 90.8 | Very high | 123 Ų | 123 | 92.4 Ų | 92.4 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 178.1 | -74 | -74.5 | 165.6 | -160.2 | 0 | 111.9 | L105 K106 Q112 Q113 | L105-K109 VanDerWaalsContact O-CB 3.29Å; L105-K109 WeakPolarHBondContact O-CB 3.24Å; L105-K109 WeakPolarHBondContact O-CG 3.38Å; L105-K109 PolarHBondContact O-N 3.42Å; K106-K109 PolarHBondContact O-N 3.35Å; K109-Q112 WeakPolarHBondContact O-CB 3.42Å; K109-Q112 PolarHBondContact O-N 2.83Å; K109-Q113 WeakPolarHBondContact O-CG 3.33Å; K109-Q113 PolarHBondContact O-N 2.88Å |
| 110 | M | 89.3 | Confident | 90.5 | Very high | 73 Ų | 73 | 91.7 Ų | 91.7 | 36% | 0.36 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 172.4 | 179.3 | -170.6 | 61.7 | 0 | 0 | 110.6 | K106 D107 Q112 Q113 V114 I443 | K106-M110 VanDerWaalsContact O-CB 3.3Å; K106-M110 WeakPolarHBondContact O-CB 3.3Å; K106-M110 PolarHBondContact O-N 3.48Å; D107-M110 PolarHBondContact O-N 3.04Å; M110-Q112 VanDerWaalsContact C-N 3.33Å; M110-Q112 PolarHBondContact O-N 3.39Å; M110-Q113 WeakPolarHBondContact O-CB 3.22Å; M110-Q113 PolarHBondContact O-N 3.27Å; M110-V114 WeakPolarHBondContact O-CG2 3.39Å; M110-V114 PolarHBondContact O-N 3.49Å; M110-I443 HydrophobicContact CE-CD1 3.56Å; M110-I443 HydrophobicContact SD-CD1 3.99Å |
| 111 | R | 89.5 | Confident | 90.2 | Very high | 69 Ų | 69 | 86.8 Ų | 86.8 | 26% | 0.26 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.2 | -73.6 | 169.9 | -176.5 | -82 | -3.9 | 111.8 | D107 E108 V114 R115 I443 E446 E447 | D107-R111 WeakPolarHBondContact O-CB 3.23Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.37Å; D107-R111 PolarHBondContact O-N 2.76Å; E108-R111 PolarHBondContact O-N 2.91Å; R111-V114 PolarHBondContact O-N 2.87Å; R111-R115 WeakPolarHBondContact O-CG 3.46Å; R111-R115 PolarHBondContact O-N 3.35Å; R111-I443 HydrophobicContact CG-CG2 3.96Å; R111-E446 IonicContact CZ-OE2 2.82Å; R111-E446 IonicContact NH1-OE2 3.74Å; R111-E446 PolarHBondContact NH1-OE2 3.46Å; R111-E446 IonicContact NH2-OE2 3.99Å; R111-E446 PolarHBondContact NH2-OE2 3.47Å; R111-E447 VanDerWaalsContact CD-OE1 3.27Å; R111-E447 WeakPolarHBondContact CD-OE1 3.49Å; R111-E447 IonicContact CZ-OE1 3.85Å; R111-E447 IonicContact NE-OE1 3.25Å; R111-E447 IonicContact NH1-OE1 3.32Å; R111-E447 PolarHBondContact NH1-OE1 2.85Å |
| 112 | Q | 88.4 | Confident | 90 | Very high | 71 Ų | 71 | 85.6 Ų | 85.6 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 172.8 | -76.8 | 170.5 | 12.3 | 0 | 0 | 111.4 | E108 K109 M110 V114 R115 E116 | E108-Q112 WeakPolarHBondContact O-CB 3.5Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.38Å; E108-Q112 PolarHBondContact O-N 3.37Å; K109-Q112 WeakPolarHBondContact O-CB 3.42Å; K109-Q112 PolarHBondContact O-N 2.83Å; M110-Q112 VanDerWaalsContact C-N 3.33Å; M110-Q112 PolarHBondContact O-N 3.39Å; Q112-V114 VanDerWaalsContact C-N 3.3Å; Q112-V114 PolarHBondContact O-N 3.39Å; Q112-R115 PolarHBondContact O-N 3.43Å; Q112-E116 WeakPolarHBondContact O-CG 3.34Å; Q112-E116 PolarHBondContact O-N 2.97Å |
| 113 | Q | 88.8 | Confident | 89.8 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.9 | -40.2 | 175.8 | -72 | 177.7 | -6.7 | 0 | 0 | 112.1 | K109 M110 E116 N117 | K109-Q113 WeakPolarHBondContact O-CG 3.33Å; K109-Q113 PolarHBondContact O-N 2.88Å; M110-Q113 WeakPolarHBondContact O-CB 3.22Å; M110-Q113 PolarHBondContact O-N 3.27Å; Q113-E116 PolarHBondContact O-N 3.49Å; Q113-N117 WeakPolarHBondContact O-CB 3.25Å; Q113-N117 VanDerWaalsContact O-CG 3.25Å; Q113-N117 PolarHBondContact O-N 2.82Å; Q113-N117 PolarHBondContact O-ND2 2.95Å |
| 114 | V | 89.3 | Confident | 89.5 | Confident | 15 Ų | 15 | 80.8 Ų | 80.8 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.3 | 173 | 0 | 0 | 0 | 0 | 111.2 | M110 R111 Q112 N117 S118 I440 I443 I444 | M110-V114 WeakPolarHBondContact O-CG2 3.39Å; M110-V114 PolarHBondContact O-N 3.49Å; R111-V114 PolarHBondContact O-N 2.87Å; Q112-V114 VanDerWaalsContact C-N 3.3Å; Q112-V114 PolarHBondContact O-N 3.39Å; V114-N117 PolarHBondContact O-N 2.82Å; V114-S118 WeakPolarHBondContact O-CB 3.37Å; V114-S118 PolarHBondContact O-N 3Å; V114-S118 PolarHBondContact O-OG 2.92Å; V114-I440 HydrophobicContact CG1-CG2 4.46Å; V114-I440 HydrophobicContact CG2-CG2 4.42Å; V114-I443 HydrophobicContact CB-CG2 4.36Å; V114-I443 HydrophobicContact CG1-CG2 4.12Å; V114-I443 HydrophobicContact CG2-CG2 4.38Å; V114-I444 HydrophobicContact CG1-CD1 4.26Å; V114-I444 HydrophobicContact CG1-CG1 3.44Å; V114-I444 VanDerWaalsContact CG1-CG1 3.44Å |
| 115 | R | 85.9 | Confident | 89.3 | Confident | 81 Ų | 81 | 81.3 Ų | 81.3 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.2 | -71.9 | 174.8 | -173.9 | -176.1 | 0.4 | 112.2 | R111 Q112 L121 E447 | R111-R115 WeakPolarHBondContact O-CG 3.46Å; R111-R115 PolarHBondContact O-N 3.35Å; Q112-R115 PolarHBondContact O-N 3.43Å; R115-L121 HydrophobicContact CB-CD1 4.46Å; R115-L121 HydrophobicContact CG-CD1 3.98Å; R115-E447 IonicContact CZ-OE2 2.79Å; R115-E447 IonicContact NE-OE2 2.82Å; R115-E447 PolarHBondContact NE-OE2 3.36Å; R115-E447 IonicContact NH2-OE1 2.82Å; R115-E447 IonicContact NH2-OE2 3.92Å; R115-E447 PolarHBondContact NH2-OE2 2.86Å |
| 116 | E | 86.4 | Confident | 89.3 | Confident | 130 Ų | 130 | 83.4 Ų | 83.4 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.9 | -41.8 | -179.9 | -72.3 | 175.3 | -176.4 | 0 | 0 | 112 | Q112 Q113 R122 | Q112-E116 WeakPolarHBondContact O-CG 3.34Å; Q112-E116 PolarHBondContact O-N 2.97Å; Q113-E116 PolarHBondContact O-N 3.49Å; E116-R122 PolarHBondContact O-NH2 3.15Å |
| 117 | N | 88.6 | Confident | 89.1 | Confident | 121 Ų | 121 | 81.2 Ų | 81.2 | 65% | 0.647 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -85.9 | -27.2 | -174.4 | -67.9 | -36.9 | 0 | 0 | 0 | 113.9 | Q113 V114 | Q113-N117 WeakPolarHBondContact O-CB 3.25Å; Q113-N117 VanDerWaalsContact O-CG 3.25Å; Q113-N117 PolarHBondContact O-N 2.82Å; Q113-N117 PolarHBondContact O-ND2 2.95Å; V114-N117 PolarHBondContact O-N 2.82Å |
| 118 | S | 90.4 | Very high | 89.1 | Confident | 12 Ų | 12 | 77.3 Ų | 77.3 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | trans | -75.3 | 129.2 | -179.7 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | V114 L121 R122 | V114-S118 WeakPolarHBondContact O-CB 3.37Å; V114-S118 PolarHBondContact O-N 3Å; V114-S118 PolarHBondContact O-OG 2.92Å; S118-L121 VanDerWaalsContact OG-CB 3.31Å; S118-L121 WeakPolarHBondContact OG-CB 3.42Å; S118-L121 VanDerWaalsContact OG-CD1 3.31Å; S118-L121 WeakPolarHBondContact OG-CD1 3.43Å; S118-L121 VanDerWaalsContact OG-CG 3.27Å; S118-L121 WeakPolarHBondContact OG-CG 3.4Å; S118-R122 PolarHBondContact O-N 2.68Å | ||
| 119 | I | 87.8 | Confident | 89.2 | Confident | 112 Ų | 112 | 78.6 Ų | 78.6 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -69.6 | -39.8 | 178 | -63.8 | 166.9 | 0 | 0 | 0 | 109.9 | L121 R122 E123 | I119-L121 PolarHBondContact O-N 2.99Å; I119-R122 PolarHBondContact O-N 3.16Å; I119-E123 HydrophobicContact CG2-CG 4.25Å; I119-E123 WeakPolarHBondContact CG2-OE1 3.46Å; I119-E123 WeakPolarHBondContact O-CG 3.43Å; I119-E123 PolarHBondContact O-N 3.21Å |
| 120 | E | 87.7 | Confident | 89.1 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | -176.6 | -58.1 | -170.5 | 173.1 | 0 | 0 | 113.3 | R122 E123 L124 K469 | E120-R122 VanDerWaalsContact C-N 3.33Å; E120-E123 PolarHBondContact O-N 3.01Å; E120-L124 WeakPolarHBondContact O-CB 3.31Å; E120-L124 PolarHBondContact O-N 3.49Å; E120-K469 IonicContact OE1-NZ 3.52Å; E120-K469 IonicContact OE2-NZ 2.73Å; E120-K469 PolarHBondContact OE2-NZ 3.45Å |
| 121 | L | 88.6 | Confident | 89.2 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 178.7 | -62.2 | 179.5 | 0 | 0 | 0 | 110.8 | R115 S118 I119 E123 L124 E125 I444 E447 R448 L451 | R115-L121 HydrophobicContact CB-CD1 4.46Å; R115-L121 HydrophobicContact CG-CD1 3.98Å; S118-L121 VanDerWaalsContact OG-CB 3.31Å; S118-L121 WeakPolarHBondContact OG-CB 3.42Å; S118-L121 VanDerWaalsContact OG-CD1 3.31Å; S118-L121 WeakPolarHBondContact OG-CD1 3.43Å; S118-L121 VanDerWaalsContact OG-CG 3.27Å; S118-L121 WeakPolarHBondContact OG-CG 3.4Å; I119-L121 PolarHBondContact O-N 2.99Å; L121-E123 PolarHBondContact O-N 3.1Å; L121-L124 PolarHBondContact O-N 3.36Å; L121-E125 WeakPolarHBondContact O-CG 3.36Å; L121-E125 PolarHBondContact O-N 3.48Å; L121-I444 HydrophobicContact CD2-CG2 4.31Å; L121-I444 HydrophobicContact CG-CG2 4.21Å; L121-E447 HydrophobicContact CD1-CB 3.8Å; L121-E447 HydrophobicContact CD2-CB 4.26Å; L121-R448 HydrophobicContact CD2-CB 3.82Å; L121-L451 HydrophobicContact CD2-CD1 4.2Å |
| 122 | R | 89.9 | Confident | 89.3 | Confident | 115 Ų | 115 | 71 Ų | 71 | 43% | 0.434 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 176 | -163.5 | -170.8 | -59.6 | 170.4 | -0.2 | 112.2 | E116 S118 I119 E120 K126 | E116-R122 PolarHBondContact O-NH2 3.15Å; S118-R122 PolarHBondContact O-N 2.68Å; I119-R122 PolarHBondContact O-N 3.16Å; E120-R122 VanDerWaalsContact C-N 3.33Å; R122-K126 VanDerWaalsContact O-CG 3.29Å; R122-K126 WeakPolarHBondContact O-CG 3.44Å; R122-K126 PolarHBondContact O-N 3.44Å |
| 123 | E | 89.9 | Confident | 89.4 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 174.5 | -75.5 | -178 | -177.6 | 0 | 0 | 112 | I119 E120 L121 K126 K127 | I119-E123 HydrophobicContact CG2-CG 4.25Å; I119-E123 WeakPolarHBondContact CG2-OE1 3.46Å; I119-E123 WeakPolarHBondContact O-CG 3.43Å; I119-E123 PolarHBondContact O-N 3.21Å; E120-E123 PolarHBondContact O-N 3.01Å; L121-E123 PolarHBondContact O-N 3.1Å; E123-K126 PolarHBondContact O-N 3.21Å; E123-K127 WeakPolarHBondContact O-CG 3.38Å; E123-K127 PolarHBondContact O-N 3.3Å |
| 124 | L | 89.2 | Confident | 89.5 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.1 | 178.4 | 62 | 0 | 0 | 0 | 110.9 | E120 L121 K126 K127 L128 R448 L451 L452 V467 | E120-L124 WeakPolarHBondContact O-CB 3.31Å; E120-L124 PolarHBondContact O-N 3.49Å; L121-L124 PolarHBondContact O-N 3.36Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 3.43Å; L124-K127 WeakPolarHBondContact O-CB 3.26Å; L124-K127 PolarHBondContact O-N 3.47Å; L124-K127 VanDerWaalsContact O-N 3.13Å; L124-L128 HydrophobicContact CD1-CD1 4.26Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 3.98Å; L124-L128 HydrophobicContact CG-CG 4.38Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 3.04Å; L124-R448 HydrophobicContact CD2-CB 4.48Å; L124-R448 HydrophobicContact CD2-CG 3.78Å; L124-L451 HydrophobicContact CD2-CB 4.12Å; L124-L451 HydrophobicContact CD2-CD1 4.28Å; L124-L452 HydrophobicContact CD1-CD2 3.96Å; L124-L452 HydrophobicContact CD2-CD2 4.4Å; L124-L452 HydrophobicContact CD2-CG 4.25Å; L124-V467 HydrophobicContact CD1-CG1 3.73Å |
| 125 | E | 89.2 | Confident | 89.7 | Confident | 63 Ų | 63 | 74.7 Ų | 74.7 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 175.5 | -80.8 | -171.6 | -174.1 | 0 | 0 | 112.3 | L121 L128 K129 L451 | L121-E125 WeakPolarHBondContact O-CG 3.36Å; L121-E125 PolarHBondContact O-N 3.48Å; E125-L128 PolarHBondContact O-N 3.48Å; E125-K129 WeakPolarHBondContact O-CB 3.24Å; E125-K129 VanDerWaalsContact O-CG 3.31Å; E125-K129 WeakPolarHBondContact O-CG 3.39Å; E125-K129 PolarHBondContact O-N 2.81Å; E125-K129 IonicContact OE2-NZ 2.95Å; E125-L451 HydrophobicContact CG-CD1 4.31Å |
| 126 | K | 90.9 | Very high | 89.9 | Confident | 137 Ų | 137 | 76 Ų | 76 | 60% | 0.596 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 175.2 | -75.8 | 173.7 | -178.7 | -178.4 | 0 | 111.5 | R122 E123 L124 K129 A130 | R122-K126 VanDerWaalsContact O-CG 3.29Å; R122-K126 WeakPolarHBondContact O-CG 3.44Å; R122-K126 PolarHBondContact O-N 3.44Å; E123-K126 PolarHBondContact O-N 3.21Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 3.43Å; K126-K129 PolarHBondContact O-N 2.96Å; K126-A130 WeakPolarHBondContact O-CB 3.45Å; K126-A130 PolarHBondContact O-N 3.23Å |
| 127 | K | 90.2 | Very high | 90.2 | Very high | 71 Ų | 71 | 77.6 Ų | 77.6 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 175.8 | -73.8 | 172.7 | 178.7 | 170.8 | 0 | 111.4 | E123 L124 A130 A131 P464 G466 V467 | E123-K127 WeakPolarHBondContact O-CG 3.38Å; E123-K127 PolarHBondContact O-N 3.3Å; L124-K127 WeakPolarHBondContact O-CB 3.26Å; L124-K127 PolarHBondContact O-N 3.47Å; L124-K127 VanDerWaalsContact O-N 3.13Å; K127-A130 PolarHBondContact O-N 3Å; K127-A131 PolarHBondContact O-N 3.08Å; K127-P464 HydrophobicContact CB-CG 4.23Å; K127-P464 WeakPolarHBondContact O-CG 3.49Å; K127-G466 PolarHBondContact NZ-O 2.99Å; K127-V467 HydrophobicContact CB-CG2 4.17Å; K127-V467 HydrophobicContact CD-CG2 3.99Å |
| 128 | L | 89.8 | Confident | 90.3 | Very high | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.7 | -44 | 177 | -68 | 171.9 | 0 | 0 | 0 | 111.8 | L124 E125 A130 A131 Y132 L451 H455 L459 L463 | L124-L128 HydrophobicContact CD1-CD1 4.26Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 3.98Å; L124-L128 HydrophobicContact CG-CG 4.38Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 3.04Å; E125-L128 PolarHBondContact O-N 3.48Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 2.92Å; L128-A131 VanDerWaalsContact O-CB 3.25Å; L128-A131 WeakPolarHBondContact O-CB 3.5Å; L128-A131 PolarHBondContact O-N 3.02Å; L128-A131 VanDerWaalsContact O-N 3.11Å; L128-Y132 VanDerWaalsContact O-CD2 3.23Å; L128-Y132 WeakPolarHBondContact O-CD2 3.31Å; L128-Y132 PolarHBondContact O-N 3Å; L128-L451 HydrophobicContact CD1-CB 4.4Å; L128-H455 HydrophobicContact CD1-CB 4.17Å; L128-H455 HydrophobicContact CD2-CB 3.96Å; L128-L459 HydrophobicContact CB-CD1 4.46Å; L128-L459 HydrophobicContact CD2-CD1 3.77Å; L128-L463 HydrophobicContact CD2-CD2 3.77Å |
| 129 | K | 91.4 | Very high | 90.4 | Very high | 132 Ų | 132 | 75.6 Ų | 75.6 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.7 | -45.5 | 173.4 | -74.4 | 171.5 | -177.4 | 167.7 | 0 | 111.3 | E125 K126 A131 Y132 M133 | E125-K129 WeakPolarHBondContact O-CB 3.24Å; E125-K129 VanDerWaalsContact O-CG 3.31Å; E125-K129 WeakPolarHBondContact O-CG 3.39Å; E125-K129 PolarHBondContact O-N 2.81Å; E125-K129 IonicContact OE2-NZ 2.95Å; K126-K129 PolarHBondContact O-N 2.96Å; K129-A131 VanDerWaalsContact C-N 3.28Å; K129-A131 PolarHBondContact O-N 2.9Å; K129-Y132 PolarHBondContact O-N 2.89Å; K129-M133 WeakPolarHBondContact O-CG 3.36Å; K129-M133 PolarHBondContact O-N 2.97Å |
| 130 | A | 90.6 | Very high | 90.6 | Very high | 43 Ų | 43 | 76 Ų | 76 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K126 K127 L128 M133 N134 | K126-A130 WeakPolarHBondContact O-CB 3.45Å; K126-A130 PolarHBondContact O-N 3.23Å; K127-A130 PolarHBondContact O-N 3Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 2.92Å; A130-M133 PolarHBondContact O-N 2.88Å; A130-N134 WeakPolarHBondContact O-CB 3.32Å; A130-N134 VanDerWaalsContact O-CG 3.22Å; A130-N134 PolarHBondContact O-N 2.89Å; A130-N134 PolarHBondContact O-ND2 3.46Å |
| 131 | A | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | K127 L128 K129 N134 K135 L459 Y462 | K127-A131 PolarHBondContact O-N 3.08Å; L128-A131 VanDerWaalsContact O-CB 3.25Å; L128-A131 WeakPolarHBondContact O-CB 3.5Å; L128-A131 PolarHBondContact O-N 3.02Å; L128-A131 VanDerWaalsContact O-N 3.11Å; K129-A131 VanDerWaalsContact C-N 3.28Å; K129-A131 PolarHBondContact O-N 2.9Å; A131-N134 PolarHBondContact O-N 3.24Å; A131-K135 PolarHBondContact O-N 3.48Å; A131-L459 HydrophobicContact CB-CD1 3.63Å; A131-L459 HydrophobicContact CB-CD2 3.75Å; A131-L459 HydrophobicContact CB-CG 4.18Å; A131-Y462 VanDerWaalsContact CB-O 3.32Å; A131-Y462 WeakPolarHBondContact CB-O 3.49Å |
| 132 | Y | 91.6 | Very high | 91.1 | Very high | 62 Ų | 62 | 78.5 Ų | 78.5 | 24% | 0.243 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.7 | -80.5 | -73.6 | 0 | 0 | 0 | 111.4 | L128 K129 N134 K135 E136 H455 N458 L459 | L128-Y132 VanDerWaalsContact O-CD2 3.23Å; L128-Y132 WeakPolarHBondContact O-CD2 3.31Å; L128-Y132 PolarHBondContact O-N 3Å; K129-Y132 PolarHBondContact O-N 2.89Å; Y132-N134 VanDerWaalsContact C-N 3.26Å; Y132-N134 PolarHBondContact O-N 2.85Å; Y132-K135 WeakPolarHBondContact O-CB 3.48Å; Y132-K135 PolarHBondContact O-N 3.42Å; Y132-K135 VanDerWaalsContact O-N 3.13Å; Y132-E136 WeakPolarHBondContact O-CG 3.31Å; Y132-E136 PolarHBondContact O-N 2.92Å; Y132-H455 HydrophobicContact CE2-CB 4.37Å; Y132-H455 AromaticContact CE2-ND1 3.67Å; Y132-H455 AromaticContact CZ-ND1 3.84Å; Y132-H455 PolarHBondContact OH-ND1 3.13Å; Y132-H455 VanDerWaalsContact OH-ND1 3.15Å; Y132-N458 HydrophobicContact CE1-CB 4.15Å; Y132-N458 WeakPolarHBondContact OH-CB 3.49Å; Y132-L459 HydrophobicContact CD1-CD2 3.65Å; Y132-L459 HydrophobicContact CD1-CG 4.38Å; Y132-L459 HydrophobicContact CD2-CD1 3.89Å; Y132-L459 HydrophobicContact CD2-CD2 3.92Å; Y132-L459 HydrophobicContact CD2-CG 4.23Å; Y132-L459 HydrophobicContact CE1-CD2 3.78Å; Y132-L459 HydrophobicContact CE1-CG 4.05Å; Y132-L459 HydrophobicContact CE2-CD1 3.54Å; Y132-L459 HydrophobicContact CE2-CD2 4.03Å; Y132-L459 HydrophobicContact CE2-CG 3.87Å; Y132-L459 HydrophobicContact CG-CD2 3.7Å; Y132-L459 HydrophobicContact CG-CG 4.45Å |
| 133 | M | 90.6 | Very high | 91.2 | Very high | 120 Ų | 120 | 79 Ų | 79 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.9 | -38.8 | 175.7 | -62.9 | -60.9 | -65.7 | 0 | 0 | 111.9 | K129 A130 R137 | K129-M133 WeakPolarHBondContact O-CG 3.36Å; K129-M133 PolarHBondContact O-N 2.97Å; A130-M133 PolarHBondContact O-N 2.88Å; M133-R137 VanDerWaalsContact O-CB 3.29Å; M133-R137 WeakPolarHBondContact O-CB 3.41Å; M133-R137 PolarHBondContact O-N 3.25Å |
| 134 | N | 91.4 | Very high | 91.4 | Very high | 80 Ų | 80 | 80.6 Ų | 80.6 | 43% | 0.428 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.8 | -73.5 | -21.4 | 0 | 0 | 0 | 112.4 | A130 A131 Y132 R137 A138 | A130-N134 WeakPolarHBondContact O-CB 3.32Å; A130-N134 VanDerWaalsContact O-CG 3.22Å; A130-N134 PolarHBondContact O-N 2.89Å; A130-N134 PolarHBondContact O-ND2 3.46Å; A131-N134 PolarHBondContact O-N 3.24Å; Y132-N134 VanDerWaalsContact C-N 3.26Å; Y132-N134 PolarHBondContact O-N 2.85Å; N134-R137 PolarHBondContact O-N 3.31Å; N134-A138 WeakPolarHBondContact O-CB 3.31Å; N134-A138 PolarHBondContact O-N 2.84Å |
| 135 | K | 92.6 | Very high | 91.6 | Very high | 83 Ų | 83 | 83 Ų | 83 | 36% | 0.361 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 174.3 | -177 | -178.4 | 178.5 | -177.1 | 0 | 111.1 | A131 Y132 A138 A139 N458 Y462 | A131-K135 PolarHBondContact O-N 3.48Å; Y132-K135 WeakPolarHBondContact O-CB 3.48Å; Y132-K135 PolarHBondContact O-N 3.42Å; Y132-K135 VanDerWaalsContact O-N 3.13Å; K135-A138 PolarHBondContact O-N 3.47Å; K135-A139 PolarHBondContact O-N 3.34Å; K135-N458 WeakPolarHBondContact CD-O 3.49Å; K135-N458 PolarHBondContact NZ-O 3.39Å; K135-Y462 HydrophobicContact CB-CD1 4.18Å; K135-Y462 HydrophobicContact CB-CD2 4.02Å; K135-Y462 HydrophobicContact CB-CE2 4.42Å; K135-Y462 HydrophobicContact CB-CG 3.89Å; K135-Y462 HydrophobicContact CD-CD2 4.31Å; K135-Y462 HydrophobicContact CG-CD2 3.9Å; K135-Y462 HydrophobicContact CG-CE2 3.96Å; K135-Y462 HydrophobicContact CG-CG 4.29Å |
| 136 | E | 91.3 | Very high | 91.7 | Very high | 110 Ų | 110 | 82.3 Ų | 82.3 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.6 | -72.8 | -179.3 | 178.1 | 0 | 0 | 111.6 | Y132 A138 A139 Q140 | Y132-E136 WeakPolarHBondContact O-CG 3.31Å; Y132-E136 PolarHBondContact O-N 2.92Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 3.34Å; E136-A139 WeakPolarHBondContact O-CB 3.45Å; E136-A139 PolarHBondContact O-N 3.17Å; E136-Q140 WeakPolarHBondContact O-CG 3.42Å; E136-Q140 PolarHBondContact O-N 3.35Å |
| 137 | R | 91.1 | Very high | 91.9 | Very high | 163 Ų | 163 | 79.5 Ų | 79.5 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.5 | -40.8 | 175.9 | -174.1 | 178.1 | -178.3 | -178.2 | 1.4 | 112.1 | M133 N134 A139 Q140 I141 | M133-R137 VanDerWaalsContact O-CB 3.29Å; M133-R137 WeakPolarHBondContact O-CB 3.41Å; M133-R137 PolarHBondContact O-N 3.25Å; N134-R137 PolarHBondContact O-N 3.31Å; R137-A139 VanDerWaalsContact C-N 3.35Å; R137-Q140 PolarHBondContact O-N 3.36Å; R137-I141 HydrophobicContact CG-CD1 4.15Å; R137-I141 VanDerWaalsContact O-CG1 3.3Å; R137-I141 WeakPolarHBondContact O-CG1 3.5Å; R137-I141 PolarHBondContact O-N 3.04Å |
| 138 | A | 91.2 | Very high | 92 | Very high | 31 Ų | 31 | 80.4 Ų | 80.4 | 26% | 0.256 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | N134 K135 E136 I141 A142 Y462 | N134-A138 WeakPolarHBondContact O-CB 3.31Å; N134-A138 PolarHBondContact O-N 2.84Å; K135-A138 PolarHBondContact O-N 3.47Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 3.34Å; A138-I141 PolarHBondContact O-N 3Å; A138-A142 PolarHBondContact O-N 3.36Å; A138-Y462 HydrophobicContact CB-CE1 3.57Å |
| 139 | A | 92.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 88.5 Ų | 88.5 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | K135 E136 R137 I141 A142 E143 | K135-A139 PolarHBondContact O-N 3.34Å; E136-A139 WeakPolarHBondContact O-CB 3.45Å; E136-A139 PolarHBondContact O-N 3.17Å; R137-A139 VanDerWaalsContact C-N 3.35Å; A139-I141 PolarHBondContact O-N 2.99Å; A139-A142 PolarHBondContact O-N 2.93Å; A139-E143 WeakPolarHBondContact O-CB 3.46Å; A139-E143 PolarHBondContact O-N 2.84Å |
| 140 | Q | 93 | Very high | 92.2 | Very high | 120 Ų | 120 | 87.3 Ų | 87.3 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 175.9 | -71.8 | 175.5 | 3.2 | 0 | 0 | 112.9 | E136 R137 E143 K144 | E136-Q140 WeakPolarHBondContact O-CG 3.42Å; E136-Q140 PolarHBondContact O-N 3.35Å; R137-Q140 PolarHBondContact O-N 3.36Å; Q140-E143 PolarHBondContact O-N 2.85Å; Q140-K144 VanDerWaalsContact O-CB 3.32Å; Q140-K144 WeakPolarHBondContact O-CB 3.46Å; Q140-K144 PolarHBondContact O-N 3.13Å |
| 141 | I | 92.5 | Very high | 92.3 | Very high | 85 Ų | 85 | 90 Ų | 90 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65 | -46.6 | 175.7 | -69.6 | 165.8 | 0 | 0 | 0 | 109.9 | R137 A138 A139 E143 K144 D145 | R137-I141 HydrophobicContact CG-CD1 4.15Å; R137-I141 VanDerWaalsContact O-CG1 3.3Å; R137-I141 WeakPolarHBondContact O-CG1 3.5Å; R137-I141 PolarHBondContact O-N 3.04Å; A138-I141 PolarHBondContact O-N 3Å; A139-I141 PolarHBondContact O-N 2.99Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.4Å; I141-K144 PolarHBondContact O-N 3.3Å; I141-D145 WeakPolarHBondContact O-CB 3.32Å; I141-D145 PolarHBondContact O-N 3.5Å |
| 142 | A | 93.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 96 Ų | 96 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A138 A139 D145 A146 | A138-A142 PolarHBondContact O-N 3.36Å; A139-A142 PolarHBondContact O-N 2.93Å; A142-D145 PolarHBondContact O-N 2.64Å; A142-A146 WeakPolarHBondContact O-CB 3.33Å; A142-A146 PolarHBondContact O-N 3.3Å |
| 143 | E | 92.1 | Very high | 92.4 | Very high | 124 Ų | 124 | 99.6 Ų | 99.6 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -48.3 | 174.1 | -175.1 | -175.8 | 177.2 | 0 | 0 | 111.3 | A139 Q140 I141 D145 A146 I147 | A139-E143 WeakPolarHBondContact O-CB 3.46Å; A139-E143 PolarHBondContact O-N 2.84Å; Q140-E143 PolarHBondContact O-N 2.85Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.4Å; E143-D145 VanDerWaalsContact C-N 3.29Å; E143-D145 PolarHBondContact O-N 2.82Å; E143-A146 WeakPolarHBondContact O-CB 3.49Å; E143-A146 PolarHBondContact O-N 3.37Å; E143-I147 HydrophobicContact CG-CD1 4.12Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.41Å; E143-I147 PolarHBondContact O-N 3.42Å |
| 144 | K | 94.6 | Very high | 92.5 | Very high | 132 Ų | 132 | 100.5 Ų | 100.5 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.3 | -40.7 | 177.6 | -174.7 | 178.4 | -178.4 | 176.4 | 0 | 111.7 | Q140 I141 I147 K148 | Q140-K144 VanDerWaalsContact O-CB 3.32Å; Q140-K144 WeakPolarHBondContact O-CB 3.46Å; Q140-K144 PolarHBondContact O-N 3.13Å; I141-K144 PolarHBondContact O-N 3.3Å; K144-I147 PolarHBondContact O-N 2.92Å; K144-K148 WeakPolarHBondContact O-CG 3.3Å; K144-K148 PolarHBondContact O-N 3.34Å |
| 145 | D | 92.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 101.5 Ų | 101.5 | 33% | 0.326 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 178.1 | -70.9 | -21.3 | 0 | 0 | 0 | 111.3 | I141 A142 E143 I147 K148 Y149 | I141-D145 WeakPolarHBondContact O-CB 3.32Å; I141-D145 PolarHBondContact O-N 3.5Å; A142-D145 PolarHBondContact O-N 2.64Å; E143-D145 VanDerWaalsContact C-N 3.29Å; E143-D145 PolarHBondContact O-N 2.82Å; D145-I147 VanDerWaalsContact C-N 3.33Å; D145-I147 PolarHBondContact O-N 2.91Å; D145-K148 WeakPolarHBondContact O-CB 3.12Å; D145-K148 PolarHBondContact O-N 2.97Å; D145-K148 IonicContact OD1-NZ 3.16Å; D145-K148 PolarHBondContact OD1-NZ 3.33Å; D145-Y149 WeakPolarHBondContact O-CD2 3.43Å; D145-Y149 PolarHBondContact O-N 2.93Å |
| 146 | A | 93.1 | Very high | 92.6 | Very high | 50 Ų | 50 | 99.9 Ų | 99.9 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A142 E143 K148 Y149 E150 | A142-A146 WeakPolarHBondContact O-CB 3.33Å; A142-A146 PolarHBondContact O-N 3.3Å; E143-A146 WeakPolarHBondContact O-CB 3.49Å; E143-A146 PolarHBondContact O-N 3.37Å; A146-K148 PolarHBondContact O-N 3.4Å; A146-Y149 PolarHBondContact O-N 3.48Å; A146-E150 PolarHBondContact O-N 2.86Å |
| 147 | I | 93.8 | Very high | 92.7 | Very high | 77 Ų | 77 | 99.4 Ų | 99.4 | 40% | 0.395 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.2 | -68.1 | 165.6 | 0 | 0 | 0 | 111.1 | E143 K144 D145 Y149 E150 Q151 | E143-I147 HydrophobicContact CG-CD1 4.12Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.41Å; E143-I147 PolarHBondContact O-N 3.42Å; K144-I147 PolarHBondContact O-N 2.92Å; D145-I147 VanDerWaalsContact C-N 3.33Å; D145-I147 PolarHBondContact O-N 2.91Å; I147-Y149 PolarHBondContact O-N 2.83Å; I147-E150 PolarHBondContact O-N 2.88Å; I147-Q151 HydrophobicContact CG2-CG 4.49Å; I147-Q151 WeakPolarHBondContact O-CG 2.93Å; I147-Q151 PolarHBondContact O-N 3.43Å |
| 148 | K | 93.7 | Very high | 92.8 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 175.5 | -71.5 | 173.9 | -166.1 | 155.4 | 0 | 111.7 | K144 D145 A146 E150 Q151 M152 | K144-K148 WeakPolarHBondContact O-CG 3.3Å; K144-K148 PolarHBondContact O-N 3.34Å; D145-K148 WeakPolarHBondContact O-CB 3.12Å; D145-K148 PolarHBondContact O-N 2.97Å; D145-K148 IonicContact OD1-NZ 3.16Å; D145-K148 PolarHBondContact OD1-NZ 3.33Å; A146-K148 PolarHBondContact O-N 3.4Å; K148-E150 VanDerWaalsContact C-N 3.31Å; K148-E150 PolarHBondContact O-N 3.47Å; K148-Q151 WeakPolarHBondContact O-CB 3.5Å; K148-Q151 PolarHBondContact O-N 2.98Å; K148-M152 WeakPolarHBondContact O-CG 3.36Å; K148-M152 PolarHBondContact O-N 2.89Å |
| 149 | Y | 91.9 | Very high | 92.9 | Very high | 174 Ų | 174 | 96.5 Ų | 96.5 | 68% | 0.682 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 176.9 | -83.7 | -68 | 0 | 0 | 0 | 111.6 | D145 A146 I147 M152 K153 | D145-Y149 WeakPolarHBondContact O-CD2 3.43Å; D145-Y149 PolarHBondContact O-N 2.93Å; A146-Y149 PolarHBondContact O-N 3.48Å; I147-Y149 PolarHBondContact O-N 2.83Å; Y149-M152 PolarHBondContact O-N 3.31Å; Y149-K153 WeakPolarHBondContact O-CB 3.43Å; Y149-K153 PolarHBondContact O-N 3.35Å |
| 150 | E | 92.3 | Very high | 92.9 | Very high | 106 Ų | 106 | 100.1 Ų | 100.1 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 173 | -72.6 | -169.9 | -174.7 | 0 | 0 | 112.6 | A146 I147 K148 K153 R154 | A146-E150 PolarHBondContact O-N 2.86Å; I147-E150 PolarHBondContact O-N 2.88Å; K148-E150 VanDerWaalsContact C-N 3.31Å; K148-E150 PolarHBondContact O-N 3.47Å; E150-K153 WeakPolarHBondContact O-CB 3.33Å; E150-K153 PolarHBondContact O-N 3.36Å; E150-R154 WeakPolarHBondContact O-CG 3.46Å; E150-R154 PolarHBondContact O-N 3.46Å; E150-R154 IonicContact OE2-CZ 3.61Å; E150-R154 IonicContact OE2-NH2 2.74Å; E150-R154 PolarHBondContact OE2-NH2 2.9Å |
| 151 | Q | 92.5 | Very high | 92.9 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.9 | -74.3 | 173.6 | -11.7 | 0 | 0 | 111.3 | I147 K148 K153 R154 D155 | I147-Q151 HydrophobicContact CG2-CG 4.49Å; I147-Q151 WeakPolarHBondContact O-CG 2.93Å; I147-Q151 PolarHBondContact O-N 3.43Å; K148-Q151 WeakPolarHBondContact O-CB 3.5Å; K148-Q151 PolarHBondContact O-N 2.98Å; Q151-K153 PolarHBondContact O-N 3.42Å; Q151-R154 PolarHBondContact O-N 3.39Å; Q151-R154 VanDerWaalsContact O-N 3.07Å; Q151-D155 PolarHBondContact O-N 3.19Å |
| 152 | M | 92.6 | Very high | 92.7 | Very high | 127 Ų | 127 | 98.2 Ų | 98.2 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.6 | -37.1 | 176.3 | -70 | -177.8 | 81.1 | 0 | 0 | 112 | K148 Y149 A156 | K148-M152 WeakPolarHBondContact O-CG 3.36Å; K148-M152 PolarHBondContact O-N 2.89Å; Y149-M152 PolarHBondContact O-N 3.31Å; M152-A156 VanDerWaalsContact O-CB 3.25Å; M152-A156 WeakPolarHBondContact O-CB 3.38Å; M152-A156 PolarHBondContact O-N 3.02Å |
| 153 | K | 92.6 | Very high | 92.5 | Very high | 138 Ų | 138 | 100.9 Ų | 100.9 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 174.9 | -171.5 | -175.6 | 174.5 | -171.7 | 0 | 111.5 | Y149 E150 Q151 A156 E157 | Y149-K153 WeakPolarHBondContact O-CB 3.43Å; Y149-K153 PolarHBondContact O-N 3.35Å; E150-K153 WeakPolarHBondContact O-CB 3.33Å; E150-K153 PolarHBondContact O-N 3.36Å; Q151-K153 PolarHBondContact O-N 3.42Å; K153-A156 PolarHBondContact O-N 2.7Å; K153-E157 WeakPolarHBondContact CE-OE1 3.13Å; K153-E157 WeakPolarHBondContact O-CG 3.19Å; K153-E157 PolarHBondContact O-N 2.82Å |
| 154 | R | 91.9 | Very high | 92.5 | Very high | 138 Ų | 138 | 100 Ų | 100 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.6 | -68.1 | 174.6 | -160.5 | 164.4 | 9.3 | 111.6 | E150 Q151 A156 E157 I158 | E150-R154 WeakPolarHBondContact O-CG 3.46Å; E150-R154 PolarHBondContact O-N 3.46Å; E150-R154 IonicContact OE2-CZ 3.61Å; E150-R154 IonicContact OE2-NH2 2.74Å; E150-R154 PolarHBondContact OE2-NH2 2.9Å; Q151-R154 PolarHBondContact O-N 3.39Å; Q151-R154 VanDerWaalsContact O-N 3.07Å; R154-A156 VanDerWaalsContact C-N 3.31Å; R154-A156 PolarHBondContact O-N 2.79Å; R154-E157 WeakPolarHBondContact O-CB 3.2Å; R154-E157 PolarHBondContact O-N 3.46Å; R154-E157 VanDerWaalsContact O-N 3.12Å; R154-I158 WeakPolarHBondContact O-CG1 3.46Å; R154-I158 PolarHBondContact O-N 3.16Å |
| 155 | D | 92.3 | Very high | 92.2 | Very high | 101 Ų | 101 | 98.9 Ų | 98.9 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 178.1 | -68.6 | -17.4 | 0 | 0 | 0 | 111.4 | Q151 E157 I158 A159 | Q151-D155 PolarHBondContact O-N 3.19Å; D155-E157 VanDerWaalsContact C-N 3.35Å; D155-I158 PolarHBondContact O-N 2.81Å; D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 3.34Å |
| 156 | A | 94 | Very high | 91.9 | Very high | 50 Ų | 50 | 101.6 Ų | 101.6 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M152 K153 R154 K160 | M152-A156 VanDerWaalsContact O-CB 3.25Å; M152-A156 WeakPolarHBondContact O-CB 3.38Å; M152-A156 PolarHBondContact O-N 3.02Å; K153-A156 PolarHBondContact O-N 2.7Å; R154-A156 VanDerWaalsContact C-N 3.31Å; R154-A156 PolarHBondContact O-N 2.79Å; A156-K160 WeakPolarHBondContact O-CG 3.34Å; A156-K160 PolarHBondContact O-N 3.49Å; A156-K160 VanDerWaalsContact O-N 3.08Å |
| 157 | E | 94.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 105.4 Ų | 105.4 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 173.3 | -73.1 | 168.5 | -170.5 | 0 | 0 | 111.2 | K153 R154 D155 A159 K160 T161 | K153-E157 WeakPolarHBondContact CE-OE1 3.13Å; K153-E157 WeakPolarHBondContact O-CG 3.19Å; K153-E157 PolarHBondContact O-N 2.82Å; R154-E157 WeakPolarHBondContact O-CB 3.2Å; R154-E157 PolarHBondContact O-N 3.46Å; R154-E157 VanDerWaalsContact O-N 3.12Å; D155-E157 VanDerWaalsContact C-N 3.35Å; E157-A159 PolarHBondContact O-N 3.19Å; E157-K160 WeakPolarHBondContact O-CB 3.14Å; E157-K160 PolarHBondContact O-N 3.17Å; E157-T161 PolarHBondContact O-N 3.18Å |
| 158 | I | 92.6 | Very high | 91.6 | Very high | 89 Ų | 89 | 109.6 Ų | 109.6 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -43 | 175 | -65.3 | 165 | 0 | 0 | 0 | 110.9 | R154 D155 K160 T161 M162 | R154-I158 WeakPolarHBondContact O-CG1 3.46Å; R154-I158 PolarHBondContact O-N 3.16Å; D155-I158 PolarHBondContact O-N 2.81Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 3.37Å; I158-T161 PolarHBondContact O-N 3.18Å; I158-T161 PolarHBondContact O-OG1 3.01Å; I158-M162 HydrophobicContact CG2-CE 4.43Å; I158-M162 HydrophobicContact CG2-CG 4.23Å; I158-M162 WeakPolarHBondContact O-CB 3.25Å; I158-M162 WeakPolarHBondContact O-CG 3.41Å; I158-M162 PolarHBondContact O-N 3.44Å |
| 159 | A | 93.1 | Very high | 91.4 | Very high | 44 Ų | 44 | 109.2 Ų | 109.2 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D155 E157 M163 | D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 3.34Å; E157-A159 PolarHBondContact O-N 3.19Å; A159-M163 WeakPolarHBondContact O-CB 3.47Å; A159-M163 VanDerWaalsContact O-CG 3.24Å; A159-M163 WeakPolarHBondContact O-CG 3.31Å; A159-M163 PolarHBondContact O-N 2.99Å |
| 160 | K | 92.7 | Very high | 91.3 | Very high | 136 Ų | 136 | 105 Ų | 105 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 174.7 | -75.4 | 173.6 | -177.3 | 179.4 | 0 | 111.8 | A156 E157 I158 M162 M163 E164 | A156-K160 WeakPolarHBondContact O-CG 3.34Å; A156-K160 PolarHBondContact O-N 3.49Å; A156-K160 VanDerWaalsContact O-N 3.08Å; E157-K160 WeakPolarHBondContact O-CB 3.14Å; E157-K160 PolarHBondContact O-N 3.17Å; I158-K160 VanDerWaalsContact C-N 3.28Å; I158-K160 PolarHBondContact O-N 3.37Å; K160-M162 PolarHBondContact O-N 2.75Å; K160-M163 PolarHBondContact O-N 2.79Å; K160-E164 WeakPolarHBondContact O-CG 3.22Å; K160-E164 PolarHBondContact O-N 2.82Å |
| 161 | T | 92.2 | Very high | 91.2 | Very high | 70 Ų | 70 | 107.3 Ų | 107.3 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 178.4 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | E157 I158 M163 E164 E165 | E157-T161 PolarHBondContact O-N 3.18Å; I158-T161 PolarHBondContact O-N 3.18Å; I158-T161 PolarHBondContact O-OG1 3.01Å; T161-M163 PolarHBondContact O-N 3.26Å; T161-E164 WeakPolarHBondContact O-CB 3.27Å; T161-E164 PolarHBondContact O-N 3.33Å; T161-E164 VanDerWaalsContact O-N 3.15Å; T161-E165 WeakPolarHBondContact O-CG 3.24Å; T161-E165 PolarHBondContact O-N 2.85Å |
| 162 | M | 88.6 | Confident | 91 | Very high | 94 Ų | 94 | 109.2 Ų | 109.2 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.2 | -69.3 | -70.6 | 177.2 | 0 | 0 | 112.1 | I158 K160 E164 E165 H166 | I158-M162 HydrophobicContact CG2-CE 4.43Å; I158-M162 HydrophobicContact CG2-CG 4.23Å; I158-M162 WeakPolarHBondContact O-CB 3.25Å; I158-M162 WeakPolarHBondContact O-CG 3.41Å; I158-M162 PolarHBondContact O-N 3.44Å; K160-M162 PolarHBondContact O-N 2.75Å; M162-E164 VanDerWaalsContact C-N 3.33Å; M162-E164 PolarHBondContact O-N 3.29Å; M162-E165 PolarHBondContact O-N 3.29Å; M162-H166 WeakPolarHBondContact O-CB 3.22Å; M162-H166 PolarHBondContact O-CD2 2.88Å; M162-H166 PolarHBondContact O-N 3.28Å |
| 163 | M | 89.4 | Confident | 90.7 | Very high | 118 Ų | 118 | 109 Ų | 109 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -38.4 | 175.2 | -77 | -177.8 | -172.2 | 0 | 0 | 112.4 | A159 K160 T161 K167 | A159-M163 WeakPolarHBondContact O-CB 3.47Å; A159-M163 VanDerWaalsContact O-CG 3.24Å; A159-M163 WeakPolarHBondContact O-CG 3.31Å; A159-M163 PolarHBondContact O-N 2.99Å; K160-M163 PolarHBondContact O-N 2.79Å; T161-M163 PolarHBondContact O-N 3.26Å; M163-K167 WeakPolarHBondContact O-CB 3.37Å; M163-K167 WeakPolarHBondContact O-CG 3.32Å; M163-K167 PolarHBondContact O-N 3.25Å |
| 164 | E | 91.4 | Very high | 90.3 | Very high | 106 Ų | 106 | 106.3 Ų | 106.3 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175.7 | -73.6 | 175.8 | -170.4 | 0 | 0 | 111.8 | K160 T161 M162 K167 R168 | K160-E164 WeakPolarHBondContact O-CG 3.22Å; K160-E164 PolarHBondContact O-N 2.82Å; T161-E164 WeakPolarHBondContact O-CB 3.27Å; T161-E164 PolarHBondContact O-N 3.33Å; T161-E164 VanDerWaalsContact O-N 3.15Å; M162-E164 VanDerWaalsContact C-N 3.33Å; M162-E164 PolarHBondContact O-N 3.29Å; E164-K167 PolarHBondContact O-N 2.97Å; E164-R168 WeakPolarHBondContact O-CG 3.45Å; E164-R168 PolarHBondContact O-N 3.45Å |
| 165 | E | 89.3 | Confident | 90.3 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 174.8 | -71.4 | -177.9 | 170.4 | 0 | 0 | 111.8 | T161 M162 K167 R168 I169 | T161-E165 WeakPolarHBondContact O-CG 3.24Å; T161-E165 PolarHBondContact O-N 2.85Å; M162-E165 PolarHBondContact O-N 3.29Å; E165-K167 VanDerWaalsContact C-N 3.29Å; E165-K167 PolarHBondContact O-N 3.47Å; E165-R168 WeakPolarHBondContact O-CA 3.49Å; E165-R168 WeakPolarHBondContact O-CB 3.42Å; E165-R168 PolarHBondContact O-N 2.94Å; E165-I169 WeakPolarHBondContact O-CG1 3.25Å; E165-I169 PolarHBondContact O-N 3.22Å |
| 166 | H | 85.5 | Confident | 90.1 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.546 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 173.7 | -86.1 | -65.2 | 0 | 0 | 0 | 112.3 | M162 R168 I169 I170 | M162-H166 WeakPolarHBondContact O-CB 3.22Å; M162-H166 PolarHBondContact O-CD2 2.88Å; M162-H166 PolarHBondContact O-N 3.28Å; H166-R168 VanDerWaalsContact C-N 3.29Å; H166-R168 PolarHBondContact O-N 3.37Å; H166-I169 PolarHBondContact O-N 3.22Å; H166-I170 VanDerWaalsContact O-CG1 3.3Å; H166-I170 WeakPolarHBondContact O-CG1 3.35Å; H166-I170 PolarHBondContact O-N 3.43Å |
| 167 | K | 91 | Very high | 89.7 | Confident | 131 Ų | 131 | 102 Ų | 102 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -33.8 | 174.9 | -76.8 | 171.8 | -176 | 176.4 | 0 | 112.4 | M163 E164 E165 K171 | M163-K167 WeakPolarHBondContact O-CB 3.37Å; M163-K167 WeakPolarHBondContact O-CG 3.32Å; M163-K167 PolarHBondContact O-N 3.25Å; E164-K167 PolarHBondContact O-N 2.97Å; E165-K167 VanDerWaalsContact C-N 3.29Å; E165-K167 PolarHBondContact O-N 3.47Å; K167-K171 VanDerWaalsContact O-CG 3.27Å; K167-K171 WeakPolarHBondContact O-CG 3.37Å; K167-K171 PolarHBondContact O-N 2.88Å; K167-K171 VanDerWaalsContact O-N 3.16Å |
| 168 | R | 90.3 | Very high | 89.3 | Confident | 164 Ų | 164 | 101.7 Ų | 101.7 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.2 | -47 | 174.4 | -69.8 | 174.4 | -171.7 | -169.4 | 4.7 | 110.7 | E164 E165 H166 I170 K171 E172 | E164-R168 WeakPolarHBondContact O-CG 3.45Å; E164-R168 PolarHBondContact O-N 3.45Å; E165-R168 WeakPolarHBondContact O-CA 3.49Å; E165-R168 WeakPolarHBondContact O-CB 3.42Å; E165-R168 PolarHBondContact O-N 2.94Å; H166-R168 VanDerWaalsContact C-N 3.29Å; H166-R168 PolarHBondContact O-N 3.37Å; R168-I170 PolarHBondContact O-N 2.83Å; R168-K171 WeakPolarHBondContact O-CB 3.36Å; R168-K171 PolarHBondContact O-N 2.83Å; R168-K171 VanDerWaalsContact O-N 3.17Å; R168-E172 WeakPolarHBondContact O-CG 3.25Å; R168-E172 PolarHBondContact O-N 2.91Å |
| 169 | I | 89.5 | Confident | 89.1 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 177.4 | -65 | 168.5 | 0 | 0 | 0 | 110.7 | E165 H166 K171 E172 E173 | E165-I169 WeakPolarHBondContact O-CG1 3.25Å; E165-I169 PolarHBondContact O-N 3.22Å; H166-I169 PolarHBondContact O-N 3.22Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.49Å; I169-E172 WeakPolarHBondContact O-CB 3.23Å; I169-E172 PolarHBondContact O-N 2.86Å; I169-E173 HydrophobicContact CG2-CG 4.39Å; I169-E173 PolarHBondContact O-N 2.93Å |
| 170 | I | 90 | Very high | 88.9 | Confident | 86 Ų | 86 | 111 Ų | 111 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -39.9 | 178.5 | -68.3 | 165.8 | 0 | 0 | 0 | 111.5 | H166 R168 E172 E173 N174 | H166-I170 VanDerWaalsContact O-CG1 3.3Å; H166-I170 WeakPolarHBondContact O-CG1 3.35Å; H166-I170 PolarHBondContact O-N 3.43Å; R168-I170 PolarHBondContact O-N 2.83Å; I170-E172 VanDerWaalsContact C-N 3.34Å; I170-E173 PolarHBondContact O-N 3.39Å; I170-N174 WeakPolarHBondContact O-CB 3.28Å; I170-N174 PolarHBondContact O-N 3.32Å; I170-N174 PolarHBondContact O-ND2 3.15Å |
| 171 | K | 89.5 | Confident | 88.6 | Confident | 155 Ų | 155 | 107.9 Ų | 107.9 | 67% | 0.674 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 176.1 | -76.8 | 175.2 | 179.1 | -175.9 | 0 | 112.1 | K167 R168 I169 A175 | K167-K171 VanDerWaalsContact O-CG 3.27Å; K167-K171 WeakPolarHBondContact O-CG 3.37Å; K167-K171 PolarHBondContact O-N 2.88Å; K167-K171 VanDerWaalsContact O-N 3.16Å; R168-K171 WeakPolarHBondContact O-CB 3.36Å; R168-K171 PolarHBondContact O-N 2.83Å; R168-K171 VanDerWaalsContact O-N 3.17Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.49Å; K171-A175 WeakPolarHBondContact O-CB 3.32Å; K171-A175 PolarHBondContact O-N 3.34Å |
| 172 | E | 88 | Confident | 88.4 | Confident | 139 Ų | 139 | 111.2 Ų | 111.2 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -42.4 | 176.9 | -71.7 | 176.4 | -173.5 | 0 | 0 | 111.9 | R168 I169 I170 A175 A176 | R168-E172 WeakPolarHBondContact O-CG 3.25Å; R168-E172 PolarHBondContact O-N 2.91Å; I169-E172 WeakPolarHBondContact O-CB 3.23Å; I169-E172 PolarHBondContact O-N 2.86Å; I170-E172 VanDerWaalsContact C-N 3.34Å; E172-A175 PolarHBondContact O-N 2.95Å; E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.16Å |
| 173 | E | 85.8 | Confident | 88.5 | Confident | 122 Ų | 122 | 111.2 Ų | 111.2 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.6 | -48.7 | 174.5 | -73.3 | -175.1 | 156.8 | 0 | 0 | 111.7 | I169 I170 A175 A176 E177 | I169-E173 HydrophobicContact CG2-CG 4.39Å; I169-E173 PolarHBondContact O-N 2.93Å; I170-E173 PolarHBondContact O-N 3.39Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.38Å; E173-A176 WeakPolarHBondContact O-CB 3.37Å; E173-A176 PolarHBondContact O-N 3.12Å; E173-A176 VanDerWaalsContact O-N 3.1Å; E173-E177 WeakPolarHBondContact O-CB 3.45Å; E173-E177 PolarHBondContact O-N 3.23Å |
| 174 | N | 85.5 | Confident | 88.4 | Confident | 82 Ų | 82 | 111.3 Ų | 111.3 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 175.8 | -72.4 | -18.9 | 0 | 0 | 0 | 111.3 | I170 A176 E177 D178 | I170-N174 WeakPolarHBondContact O-CB 3.28Å; I170-N174 PolarHBondContact O-N 3.32Å; I170-N174 PolarHBondContact O-ND2 3.15Å; N174-A176 VanDerWaalsContact C-N 3.32Å; N174-A176 PolarHBondContact O-N 2.99Å; N174-E177 PolarHBondContact O-N 3.25Å; N174-D178 WeakPolarHBondContact O-CB 2.99Å; N174-D178 PolarHBondContact O-N 3.22Å |
| 175 | A | 91 | Very high | 88.3 | Confident | 44 Ų | 44 | 108.6 Ų | 108.6 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K171 E172 E173 K179 | K171-A175 WeakPolarHBondContact O-CB 3.32Å; K171-A175 PolarHBondContact O-N 3.34Å; E172-A175 PolarHBondContact O-N 2.95Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.38Å; A175-K179 VanDerWaalsContact O-CG 3.31Å; A175-K179 WeakPolarHBondContact O-CG 3.4Å; A175-K179 PolarHBondContact O-N 3.41Å |
| 176 | A | 88.8 | Confident | 88.1 | Confident | 45 Ų | 45 | 109.1 Ų | 109.1 | 37% | 0.372 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E172 E173 N174 K179 R180 | E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.16Å; E173-A176 WeakPolarHBondContact O-CB 3.37Å; E173-A176 PolarHBondContact O-N 3.12Å; E173-A176 VanDerWaalsContact O-N 3.1Å; N174-A176 VanDerWaalsContact C-N 3.32Å; N174-A176 PolarHBondContact O-N 2.99Å; A176-K179 WeakPolarHBondContact O-CB 3.4Å; A176-K179 PolarHBondContact O-N 2.76Å; A176-R180 WeakPolarHBondContact O-CG 3.4Å; A176-R180 PolarHBondContact O-N 3.42Å |
| 177 | E | 85.1 | Confident | 88.2 | Confident | 110 Ų | 110 | 110.8 Ų | 110.8 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.1 | -171.6 | 162.6 | -153.3 | 0 | 0 | 111.7 | E173 N174 K179 R180 N181 | E173-E177 WeakPolarHBondContact O-CB 3.45Å; E173-E177 PolarHBondContact O-N 3.23Å; N174-E177 PolarHBondContact O-N 3.25Å; E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 3.24Å; E177-R180 CarbonylContact O-C 3.59Å; E177-R180 WeakPolarHBondContact O-CB 3.36Å; E177-R180 PolarHBondContact O-N 2.99Å; E177-N181 WeakPolarHBondContact O-CB 3.19Å; E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3.26Å; E177-N181 PolarHBondContact O-ND2 3.39Å |
| 178 | D | 86.8 | Confident | 87.9 | Confident | 93 Ų | 93 | 111.8 Ų | 111.8 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 173.5 | -77.4 | -21.8 | 0 | 0 | 0 | 112.1 | N174 N181 K182 | N174-D178 WeakPolarHBondContact O-CB 2.99Å; N174-D178 PolarHBondContact O-N 3.22Å; D178-N181 PolarHBondContact O-N 2.92Å; D178-K182 VanDerWaalsContact O-CG 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 3.41Å |
| 179 | K | 88.1 | Confident | 87.8 | Confident | 146 Ų | 146 | 108.6 Ų | 108.6 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 174 | -72.8 | 171 | -174.1 | 176.8 | 0 | 111.3 | A175 A176 E177 N181 K182 V183 | A175-K179 VanDerWaalsContact O-CG 3.31Å; A175-K179 WeakPolarHBondContact O-CG 3.4Å; A175-K179 PolarHBondContact O-N 3.41Å; A176-K179 WeakPolarHBondContact O-CB 3.4Å; A176-K179 PolarHBondContact O-N 2.76Å; E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 3.24Å; K179-N181 VanDerWaalsContact C-N 3.33Å; K179-N181 PolarHBondContact O-N 3.03Å; K179-K182 PolarHBondContact O-N 3.36Å; K179-V183 WeakPolarHBondContact O-CG2 3.5Å; K179-V183 PolarHBondContact O-N 3.25Å; K179-V183 VanDerWaalsContact O-N 3.09Å |
| 180 | R | 87.6 | Confident | 87.7 | Confident | 182 Ų | 182 | 108.5 Ų | 108.5 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 175.8 | -70.3 | 174.4 | 178.2 | -176.4 | 0.7 | 111.4 | A176 E177 V183 K184 | A176-R180 WeakPolarHBondContact O-CG 3.4Å; A176-R180 PolarHBondContact O-N 3.42Å; E177-R180 CarbonylContact O-C 3.59Å; E177-R180 WeakPolarHBondContact O-CB 3.36Å; E177-R180 PolarHBondContact O-N 2.99Å; R180-V183 PolarHBondContact O-N 3.25Å; R180-K184 WeakPolarHBondContact O-CG 3.27Å; R180-K184 PolarHBondContact O-N 3.28Å |
| 181 | N | 87.3 | Confident | 87.6 | Confident | 70 Ų | 70 | 107.6 Ų | 107.6 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 178.5 | -70.2 | -19.8 | 0 | 0 | 0 | 111.7 | E177 D178 K179 K184 A185 | E177-N181 WeakPolarHBondContact O-CB 3.19Å; E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3.26Å; E177-N181 PolarHBondContact O-ND2 3.39Å; D178-N181 PolarHBondContact O-N 2.92Å; K179-N181 VanDerWaalsContact C-N 3.33Å; K179-N181 PolarHBondContact O-N 3.03Å; N181-K184 PolarHBondContact O-N 3.41Å; N181-A185 WeakPolarHBondContact O-CB 3.32Å; N181-A185 PolarHBondContact O-N 3.13Å |
| 182 | K | 88.9 | Confident | 87.4 | Confident | 141 Ų | 141 | 105.6 Ų | 105.6 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 172.6 | -74 | 172.1 | -175.3 | 179 | 0 | 112.4 | D178 K179 A185 Q186 | D178-K182 VanDerWaalsContact O-CG 3.29Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 3.41Å; K179-K182 PolarHBondContact O-N 3.36Å; K182-A185 PolarHBondContact O-N 3Å; K182-Q186 WeakPolarHBondContact O-CG 3.34Å; K182-Q186 PolarHBondContact O-N 3.11Å |
| 183 | V | 90.4 | Very high | 87.5 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | K179 R180 A185 Q186 Y187 | K179-V183 WeakPolarHBondContact O-CG2 3.5Å; K179-V183 PolarHBondContact O-N 3.25Å; K179-V183 VanDerWaalsContact O-N 3.09Å; R180-V183 PolarHBondContact O-N 3.25Å; V183-A185 PolarHBondContact O-N 3.09Å; V183-Q186 PolarHBondContact O-N 3.42Å; V183-Y187 PolarHBondContact O-N 3.25Å |
| 184 | K | 86.4 | Confident | 87.5 | Confident | 120 Ų | 120 | 104 Ų | 104 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.3 | -72.7 | 176.4 | -177.9 | 176.5 | 0 | 111.9 | R180 N181 Q186 Y187 Y188 | R180-K184 WeakPolarHBondContact O-CG 3.27Å; R180-K184 PolarHBondContact O-N 3.28Å; N181-K184 PolarHBondContact O-N 3.41Å; K184-Q186 VanDerWaalsContact C-N 3.34Å; K184-Q186 PolarHBondContact O-N 3.31Å; K184-Y187 WeakPolarHBondContact O-CB 3.39Å; K184-Y187 PolarHBondContact O-N 3.3Å; K184-Y188 WeakPolarHBondContact O-CD2 3.43Å; K184-Y188 PolarHBondContact O-N 3.2Å |
| 185 | A | 89.4 | Confident | 87.4 | Confident | 49 Ų | 49 | 104.5 Ų | 104.5 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N181 K182 V183 Y188 L189 | N181-A185 WeakPolarHBondContact O-CB 3.32Å; N181-A185 PolarHBondContact O-N 3.13Å; K182-A185 PolarHBondContact O-N 3Å; V183-A185 PolarHBondContact O-N 3.09Å; A185-Y188 PolarHBondContact O-N 2.86Å; A185-L189 WeakPolarHBondContact O-CG 3.44Å; A185-L189 PolarHBondContact O-N 3.28Å |
| 186 | Q | 85.8 | Confident | 87.1 | Confident | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 173.6 | -72.3 | 175.5 | -18.9 | 0 | 0 | 111.8 | K182 V183 K184 Y188 L189 D190 | K182-Q186 WeakPolarHBondContact O-CG 3.34Å; K182-Q186 PolarHBondContact O-N 3.11Å; V183-Q186 PolarHBondContact O-N 3.42Å; K184-Q186 VanDerWaalsContact C-N 3.34Å; K184-Q186 PolarHBondContact O-N 3.31Å; Q186-Y188 VanDerWaalsContact C-N 3.34Å; Q186-Y188 PolarHBondContact O-N 3.36Å; Q186-L189 PolarHBondContact O-N 2.93Å; Q186-D190 PolarHBondContact O-N 3.43Å |
| 187 | Y | 87.6 | Confident | 86.9 | Confident | 152 Ų | 152 | 110.1 Ų | 110.1 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 175.8 | 176.9 | -102.6 | 0 | 0 | 0 | 112.8 | V183 K184 D190 L191 | V183-Y187 PolarHBondContact O-N 3.25Å; K184-Y187 WeakPolarHBondContact O-CB 3.39Å; K184-Y187 PolarHBondContact O-N 3.3Å; Y187-D190 PolarHBondContact O-N 2.89Å; Y187-L191 PolarHBondContact O-N 3.49Å |
| 188 | Y | 83.4 | Confident | 86.6 | Confident | 153 Ų | 153 | 110 Ų | 110 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 175.2 | -77.3 | -63.9 | 0 | 0 | 0 | 112.6 | K184 A185 Q186 D190 L191 E192 | K184-Y188 WeakPolarHBondContact O-CD2 3.43Å; K184-Y188 PolarHBondContact O-N 3.2Å; A185-Y188 PolarHBondContact O-N 2.86Å; Q186-Y188 VanDerWaalsContact C-N 3.34Å; Q186-Y188 PolarHBondContact O-N 3.36Å; Y188-D190 VanDerWaalsContact C-N 3.27Å; Y188-D190 PolarHBondContact O-N 3.14Å; Y188-L191 PolarHBondContact O-N 2.88Å; Y188-E192 WeakPolarHBondContact O-CB 3.38Å; Y188-E192 PolarHBondContact O-N 3.24Å |
| 189 | L | 88.9 | Confident | 86.4 | Confident | 96 Ų | 96 | 111.2 Ų | 111.2 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 175.8 | -71.7 | 170.2 | 0 | 0 | 0 | 112 | A185 Q186 K193 | A185-L189 WeakPolarHBondContact O-CG 3.44Å; A185-L189 PolarHBondContact O-N 3.28Å; Q186-L189 PolarHBondContact O-N 2.93Å; L189-K193 WeakPolarHBondContact O-CG 3.27Å; L189-K193 PolarHBondContact O-N 3.46Å; L189-K193 VanDerWaalsContact O-N 3.16Å |
| 190 | D | 88.2 | Confident | 86.2 | Confident | 82 Ų | 82 | 109.8 Ų | 109.8 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.5 | -35.8 | 177.5 | -69.3 | -22.2 | 0 | 0 | 0 | 112 | Q186 Y187 Y188 K193 Q194 | Q186-D190 PolarHBondContact O-N 3.43Å; Y187-D190 PolarHBondContact O-N 2.89Å; Y188-D190 VanDerWaalsContact C-N 3.27Å; Y188-D190 PolarHBondContact O-N 3.14Å; D190-K193 PolarHBondContact O-N 2.88Å; D190-K193 IonicContact OD1-NZ 3.3Å; D190-Q194 WeakPolarHBondContact O-CG 3.49Å; D190-Q194 PolarHBondContact O-N 2.96Å; D190-Q194 VanDerWaalsContact O-N 3.11Å |
| 191 | L | 87.6 | Confident | 86 | Confident | 67 Ų | 67 | 107.6 Ų | 107.6 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 173.5 | -173.1 | 67.6 | 0 | 0 | 0 | 111.7 | Y187 Y188 Q194 L195 | Y187-L191 PolarHBondContact O-N 3.49Å; Y188-L191 PolarHBondContact O-N 2.88Å; L191-Q194 WeakPolarHBondContact O-CB 3.39Å; L191-Q194 PolarHBondContact O-N 2.88Å; L191-L195 WeakPolarHBondContact O-CG 3.44Å; L191-L195 PolarHBondContact O-N 3.42Å |
| 192 | E | 86 | Confident | 85.8 | Confident | 113 Ų | 113 | 111 Ų | 111 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 176.7 | -167.9 | 167.3 | -154.7 | 0 | 0 | 111 | Y188 Q194 L195 E196 | Y188-E192 WeakPolarHBondContact O-CB 3.38Å; Y188-E192 PolarHBondContact O-N 3.24Å; E192-Q194 VanDerWaalsContact C-N 3.33Å; E192-Q194 PolarHBondContact O-N 2.91Å; E192-L195 WeakPolarHBondContact O-CB 3.13Å; E192-L195 PolarHBondContact O-N 2.81Å; E192-L195 VanDerWaalsContact O-N 3.14Å; E192-E196 WeakPolarHBondContact O-CG 3.29Å; E192-E196 PolarHBondContact O-N 2.86Å |
| 193 | K | 88.1 | Confident | 85.3 | Confident | 114 Ų | 114 | 110 Ų | 110 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 172.5 | -70.8 | 171.5 | -171.2 | 164.5 | 0 | 113 | L189 D190 L195 E196 E197 | L189-K193 WeakPolarHBondContact O-CG 3.27Å; L189-K193 PolarHBondContact O-N 3.46Å; L189-K193 VanDerWaalsContact O-N 3.16Å; D190-K193 PolarHBondContact O-N 2.88Å; D190-K193 IonicContact OD1-NZ 3.3Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 3.39Å; K193-E196 PolarHBondContact O-N 2.92Å; K193-E197 WeakPolarHBondContact O-CG 3.48Å; K193-E197 PolarHBondContact O-N 3.37Å |
| 194 | Q | 87.5 | Confident | 84.9 | Confident | 112 Ų | 112 | 111 Ų | 111 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.5 | -72.1 | 176.9 | 4.9 | 0 | 0 | 112 | D190 L191 E192 E197 Q198 | D190-Q194 WeakPolarHBondContact O-CG 3.49Å; D190-Q194 PolarHBondContact O-N 2.96Å; D190-Q194 VanDerWaalsContact O-N 3.11Å; L191-Q194 WeakPolarHBondContact O-CB 3.39Å; L191-Q194 PolarHBondContact O-N 2.88Å; E192-Q194 VanDerWaalsContact C-N 3.33Å; E192-Q194 PolarHBondContact O-N 2.91Å; Q194-E197 PolarHBondContact O-N 3.32Å; Q194-Q198 WeakPolarHBondContact O-CG 3.5Å; Q194-Q198 PolarHBondContact O-N 3.33Å |
| 195 | L | 83.3 | Confident | 84.7 | Confident | 94 Ų | 94 | 107.7 Ų | 107.7 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 175 | -69.4 | 173.3 | 0 | 0 | 0 | 111.3 | L191 E192 K193 E197 Q198 E199 | L191-L195 WeakPolarHBondContact O-CG 3.44Å; L191-L195 PolarHBondContact O-N 3.42Å; E192-L195 WeakPolarHBondContact O-CB 3.13Å; E192-L195 PolarHBondContact O-N 2.81Å; E192-L195 VanDerWaalsContact O-N 3.14Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 3.39Å; L195-E197 VanDerWaalsContact C-N 3.29Å; L195-E197 PolarHBondContact O-N 3.04Å; L195-Q198 PolarHBondContact O-N 3.42Å; L195-Q198 VanDerWaalsContact O-N 3.1Å; L195-E199 WeakPolarHBondContact O-CG 3.35Å; L195-E199 PolarHBondContact O-N 3.37Å |
| 196 | E | 84.4 | Confident | 84.3 | Confident | 97 Ų | 97 | 112.8 Ų | 112.8 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 174.2 | -71.5 | -178.2 | 177.9 | 0 | 0 | 112 | E192 K193 E199 K200 | E192-E196 WeakPolarHBondContact O-CG 3.29Å; E192-E196 PolarHBondContact O-N 2.86Å; K193-E196 PolarHBondContact O-N 2.92Å; E196-E199 PolarHBondContact O-N 3.02Å; E196-K200 WeakPolarHBondContact O-CG 3.47Å; E196-K200 PolarHBondContact O-N 2.9Å |
| 197 | E | 84.6 | Confident | 84.1 | Confident | 109 Ų | 109 | 112.5 Ų | 112.5 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 175.4 | -75.9 | 178.2 | -171.9 | 0 | 0 | 112.6 | K193 Q194 L195 K201 | K193-E197 WeakPolarHBondContact O-CG 3.48Å; K193-E197 PolarHBondContact O-N 3.37Å; Q194-E197 PolarHBondContact O-N 3.32Å; L195-E197 VanDerWaalsContact C-N 3.29Å; L195-E197 PolarHBondContact O-N 3.04Å; E197-K201 WeakPolarHBondContact O-CG 3.48Å; E197-K201 PolarHBondContact O-N 3.39Å |
| 198 | Q | 79.3 | Confident | 83.7 | Confident | 108 Ų | 108 | 110.8 Ų | 110.8 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 174.4 | -74.6 | -172.4 | 10.8 | 0 | 0 | 112.1 | Q194 L195 K201 K202 | Q194-Q198 WeakPolarHBondContact O-CG 3.5Å; Q194-Q198 PolarHBondContact O-N 3.33Å; L195-Q198 PolarHBondContact O-N 3.42Å; L195-Q198 VanDerWaalsContact O-N 3.1Å; Q198-K201 PolarHBondContact O-N 3.45Å; Q198-K202 WeakPolarHBondContact O-CG 3.45Å; Q198-K202 PolarHBondContact O-N 3.21Å |
| 199 | E | 81 | Confident | 83.5 | Confident | 118 Ų | 118 | 108.3 Ų | 108.3 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 176.1 | -72.8 | -173.1 | 170.2 | 0 | 0 | 111.9 | L195 E196 K201 K202 Q203 | L195-E199 WeakPolarHBondContact O-CG 3.35Å; L195-E199 PolarHBondContact O-N 3.37Å; E196-E199 PolarHBondContact O-N 3.02Å; E199-K201 PolarHBondContact O-N 3.11Å; E199-K202 WeakPolarHBondContact O-CB 3.34Å; E199-K202 PolarHBondContact O-N 3.26Å; E199-K202 VanDerWaalsContact O-N 3.17Å; E199-Q203 WeakPolarHBondContact O-CG 3.43Å; E199-Q203 PolarHBondContact O-N 3.3Å |
| 200 | K | 83.8 | Confident | 83.2 | Confident | 117 Ų | 117 | 107.6 Ų | 107.6 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 173 | -74.1 | 173.1 | -177.1 | 168.4 | 0 | 112 | E196 K202 Q203 E204 | E196-K200 WeakPolarHBondContact O-CG 3.47Å; E196-K200 PolarHBondContact O-N 2.9Å; K200-K202 VanDerWaalsContact C-N 3.3Å; K200-K202 PolarHBondContact O-N 3.42Å; K200-Q203 WeakPolarHBondContact O-CB 3.47Å; K200-Q203 PolarHBondContact O-N 3.4Å; K200-Q203 VanDerWaalsContact O-N 3.12Å; K200-E204 WeakPolarHBondContact O-CG 3.5Å; K200-E204 PolarHBondContact O-N 3.15Å |
| 201 | K | 84.3 | Confident | 82.8 | Confident | 136 Ų | 136 | 110.2 Ų | 110.2 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -37.5 | 175.3 | -74.2 | 173.3 | -177.9 | 171.7 | 0 | 112.6 | E197 Q198 E199 A205 | E197-K201 WeakPolarHBondContact O-CG 3.48Å; E197-K201 PolarHBondContact O-N 3.39Å; Q198-K201 PolarHBondContact O-N 3.45Å; E199-K201 PolarHBondContact O-N 3.11Å; K201-A205 WeakPolarHBondContact O-CB 3.47Å; K201-A205 PolarHBondContact O-N 2.77Å |
| 202 | K | 83.3 | Confident | 82.3 | Confident | 141 Ų | 141 | 112.7 Ų | 112.7 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 174.3 | -73.6 | 174.6 | -178.1 | 174.1 | 0 | 111.7 | Q198 E199 K200 A205 Y206 | Q198-K202 WeakPolarHBondContact O-CG 3.45Å; Q198-K202 PolarHBondContact O-N 3.21Å; E199-K202 WeakPolarHBondContact O-CB 3.34Å; E199-K202 PolarHBondContact O-N 3.26Å; E199-K202 VanDerWaalsContact O-N 3.17Å; K200-K202 VanDerWaalsContact C-N 3.3Å; K200-K202 PolarHBondContact O-N 3.42Å; K202-A205 PolarHBondContact O-N 3.17Å; K202-Y206 WeakPolarHBondContact O-CB 3.27Å; K202-Y206 PolarHBondContact O-N 3.48Å |
| 203 | Q | 78.3 | Confident | 82.1 | Confident | 121 Ų | 121 | 112.7 Ų | 112.7 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -47.3 | 175.7 | -69.9 | 171.5 | 1.1 | 0 | 0 | 111.1 | E199 K200 A205 Y206 E207 | E199-Q203 WeakPolarHBondContact O-CG 3.43Å; E199-Q203 PolarHBondContact O-N 3.3Å; K200-Q203 WeakPolarHBondContact O-CB 3.47Å; K200-Q203 PolarHBondContact O-N 3.4Å; K200-Q203 VanDerWaalsContact O-N 3.12Å; Q203-A205 PolarHBondContact O-N 3.09Å; Q203-Y206 WeakPolarHBondContact O-CB 3.3Å; Q203-Y206 PolarHBondContact O-N 3.17Å; Q203-Y206 VanDerWaalsContact O-N 3.17Å; Q203-E207 WeakPolarHBondContact O-CG 3.27Å; Q203-E207 PolarHBondContact O-N 3.03Å |
| 204 | E | 82.3 | Confident | 81.6 | Confident | 113 Ų | 113 | 112.2 Ų | 112.2 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.4 | -70.1 | 171.9 | -178.2 | 0 | 0 | 112.2 | K200 Y206 E207 Q208 | K200-E204 WeakPolarHBondContact O-CG 3.5Å; K200-E204 PolarHBondContact O-N 3.15Å; E204-Y206 VanDerWaalsContact C-N 3.34Å; E204-Y206 PolarHBondContact O-N 3.43Å; E204-E207 PolarHBondContact O-N 2.88Å; E204-Q208 WeakPolarHBondContact O-CG 3.41Å; E204-Q208 PolarHBondContact O-N 2.84Å; E204-Q208 VanDerWaalsContact O-N 3.07Å |
| 205 | A | 81.9 | Confident | 80.8 | Confident | 51 Ų | 51 | 113 Ų | 113 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K201 K202 Q203 Q208 L209 | K201-A205 WeakPolarHBondContact O-CB 3.47Å; K201-A205 PolarHBondContact O-N 2.77Å; K202-A205 PolarHBondContact O-N 3.17Å; Q203-A205 PolarHBondContact O-N 3.09Å; A205-Q208 PolarHBondContact O-N 2.86Å; A205-L209 PolarHBondContact O-N 3.17Å |
| 206 | Y | 80.3 | Confident | 80.4 | Confident | 155 Ų | 155 | 113.1 Ų | 113.1 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.1 | -40 | 175.8 | -178.3 | -99.6 | 0 | 0 | 0 | 112 | K202 Q203 E204 Q208 L209 L210 | K202-Y206 WeakPolarHBondContact O-CB 3.27Å; K202-Y206 PolarHBondContact O-N 3.48Å; Q203-Y206 WeakPolarHBondContact O-CB 3.3Å; Q203-Y206 PolarHBondContact O-N 3.17Å; Q203-Y206 VanDerWaalsContact O-N 3.17Å; E204-Y206 VanDerWaalsContact C-N 3.34Å; E204-Y206 PolarHBondContact O-N 3.43Å; Y206-Q208 VanDerWaalsContact C-N 3.33Å; Y206-Q208 PolarHBondContact O-N 3.27Å; Y206-L209 PolarHBondContact O-N 3.4Å; Y206-L210 PolarHBondContact O-N 2.95Å |
| 207 | E | 81.4 | Confident | 80 | Confident | 113 Ų | 113 | 112.4 Ų | 112.4 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 173.9 | -71.6 | -177.8 | -179.5 | 0 | 0 | 112.5 | Q203 E204 L210 K211 | Q203-E207 WeakPolarHBondContact O-CG 3.27Å; Q203-E207 PolarHBondContact O-N 3.03Å; E204-E207 PolarHBondContact O-N 2.88Å; E207-L210 PolarHBondContact O-N 3.28Å; E207-K211 WeakPolarHBondContact O-CG 3.26Å; E207-K211 PolarHBondContact O-N 2.89Å; E207-K211 VanDerWaalsContact O-N 3.17Å |
| 208 | Q | 78.9 | Confident | 79.6 | Confident | 117 Ų | 117 | 113 Ų | 113 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 174.2 | -70.8 | 175.2 | 7.5 | 0 | 0 | 111.3 | E204 A205 Y206 L210 K211 E212 | E204-Q208 WeakPolarHBondContact O-CG 3.41Å; E204-Q208 PolarHBondContact O-N 2.84Å; E204-Q208 VanDerWaalsContact O-N 3.07Å; A205-Q208 PolarHBondContact O-N 2.86Å; Y206-Q208 VanDerWaalsContact C-N 3.33Å; Y206-Q208 PolarHBondContact O-N 3.27Å; Q208-L210 VanDerWaalsContact C-N 3.27Å; Q208-L210 PolarHBondContact O-N 3.05Å; Q208-K211 WeakPolarHBondContact O-CB 3.42Å; Q208-K211 PolarHBondContact O-N 3.34Å; Q208-K211 VanDerWaalsContact O-N 3.1Å; Q208-E212 PolarHBondContact O-N 3.38Å |
| 209 | L | 80.9 | Confident | 79.3 | Confident | 101 Ų | 101 | 112.5 Ų | 112.5 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 176.7 | -171.4 | 152.4 | 0 | 0 | 0 | 111.8 | A205 Y206 E212 K213 | A205-L209 PolarHBondContact O-N 3.17Å; Y206-L209 PolarHBondContact O-N 3.4Å; L209-E212 PolarHBondContact O-N 2.91Å; L209-K213 WeakPolarHBondContact O-CB 3.39Å; L209-K213 PolarHBondContact O-N 3.42Å |
| 210 | L | 82.4 | Confident | 79 | Confident | 80 Ų | 80 | 109.8 Ų | 109.8 | 42% | 0.419 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 177 | -168.9 | 67.5 | 0 | 0 | 0 | 112.1 | Y206 E207 Q208 K213 L214 | Y206-L210 PolarHBondContact O-N 2.95Å; E207-L210 PolarHBondContact O-N 3.28Å; Q208-L210 VanDerWaalsContact C-N 3.27Å; Q208-L210 PolarHBondContact O-N 3.05Å; L210-K213 PolarHBondContact O-N 3.36Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 2.9Å; L210-L214 VanDerWaalsContact O-N 3.1Å |
| 211 | K | 78.8 | Confident | 78.7 | Confident | 137 Ų | 137 | 113 Ų | 113 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 174.2 | -69.7 | 170.8 | -174.4 | 170.6 | 0 | 111.5 | E207 Q208 L214 M215 | E207-K211 WeakPolarHBondContact O-CG 3.26Å; E207-K211 PolarHBondContact O-N 2.89Å; E207-K211 VanDerWaalsContact O-N 3.17Å; Q208-K211 WeakPolarHBondContact O-CB 3.42Å; Q208-K211 PolarHBondContact O-N 3.34Å; Q208-K211 VanDerWaalsContact O-N 3.1Å; K211-L214 PolarHBondContact O-N 3.47Å; K211-M215 PolarHBondContact O-N 2.93Å; K211-M215 VanDerWaalsContact O-N 3.09Å |
| 212 | E | 78.1 | Confident | 78.2 | Confident | 119 Ų | 119 | 112.6 Ų | 112.6 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 175.3 | -71.4 | 179.1 | 177.7 | 0 | 0 | 111.7 | Q208 L209 L214 M215 I216 | Q208-E212 PolarHBondContact O-N 3.38Å; L209-E212 PolarHBondContact O-N 2.91Å; E212-L214 PolarHBondContact O-N 2.87Å; E212-M215 WeakPolarHBondContact O-CB 3.4Å; E212-M215 PolarHBondContact O-N 3.34Å; E212-I216 VanDerWaalsContact O-CG1 3.26Å; E212-I216 WeakPolarHBondContact O-CG1 3.3Å; E212-I216 PolarHBondContact O-N 2.93Å |
| 213 | K | 81.1 | Confident | 77.5 | Confident | 114 Ų | 114 | 109.8 Ų | 109.8 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 175.6 | -173.1 | -166 | 172.5 | -171 | 0 | 111.6 | L209 L210 M215 I216 D217 | L209-K213 WeakPolarHBondContact O-CB 3.39Å; L209-K213 PolarHBondContact O-N 3.42Å; L210-K213 PolarHBondContact O-N 3.36Å; K213-M215 VanDerWaalsContact C-N 3.32Å; K213-M215 PolarHBondContact O-N 2.8Å; K213-I216 PolarHBondContact O-N 3.2Å; K213-D217 WeakPolarHBondContact O-CB 3.45Å; K213-D217 PolarHBondContact O-N 2.84Å |
| 214 | L | 77.6 | Confident | 77.3 | Confident | 103 Ų | 103 | 111.8 Ų | 111.8 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 177.4 | -71.2 | 170.9 | 0 | 0 | 0 | 111.8 | L210 K211 E212 D217 E218 | L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 2.9Å; L210-L214 VanDerWaalsContact O-N 3.1Å; K211-L214 PolarHBondContact O-N 3.47Å; E212-L214 PolarHBondContact O-N 2.87Å; L214-D217 PolarHBondContact O-N 3.48Å; L214-E218 PolarHBondContact O-N 3.13Å; L214-E218 VanDerWaalsContact O-N 3.1Å |
| 215 | M | 71.3 | Confident | 76.9 | Confident | 129 Ų | 129 | 112.1 Ų | 112.1 | 64% | 0.635 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | 173.3 | -85.2 | -177.1 | 146.2 | 0 | 0 | 112.7 | K211 E212 K213 E218 I219 | K211-M215 PolarHBondContact O-N 2.93Å; K211-M215 VanDerWaalsContact O-N 3.09Å; E212-M215 WeakPolarHBondContact O-CB 3.4Å; E212-M215 PolarHBondContact O-N 3.34Å; K213-M215 VanDerWaalsContact C-N 3.32Å; K213-M215 PolarHBondContact O-N 2.8Å; M215-E218 WeakPolarHBondContact O-CB 3.45Å; M215-E218 PolarHBondContact O-N 3.36Å; M215-I219 WeakPolarHBondContact O-CG1 3.46Å; M215-I219 PolarHBondContact O-N 3.32Å; M215-I219 VanDerWaalsContact O-N 3.08Å |
| 216 | I | 73.6 | Confident | 76.3 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 176.9 | -68.3 | 164.4 | 0 | 0 | 0 | 110.2 | E212 K213 E218 I219 V220 | E212-I216 VanDerWaalsContact O-CG1 3.26Å; E212-I216 WeakPolarHBondContact O-CG1 3.3Å; E212-I216 PolarHBondContact O-N 2.93Å; K213-I216 PolarHBondContact O-N 3.2Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 2.9Å; I216-I219 PolarHBondContact O-N 2.66Å; I216-I219 VanDerWaalsContact O-N 3.11Å; I216-V220 HydrophobicContact CG2-CG2 4.26Å; I216-V220 WeakPolarHBondContact O-CG2 3.2Å; I216-V220 PolarHBondContact O-N 2.92Å |
| 217 | D | 77.4 | Confident | 75.8 | Confident | 82 Ų | 82 | 111.9 Ų | 111.9 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 177.2 | -73 | -24.6 | 0 | 0 | 0 | 111.4 | K213 L214 R221 | K213-D217 WeakPolarHBondContact O-CB 3.45Å; K213-D217 PolarHBondContact O-N 2.84Å; L214-D217 PolarHBondContact O-N 3.48Å; D217-R221 WeakPolarHBondContact O-CB 2.92Å; D217-R221 PolarHBondContact O-N 3.39Å |
| 218 | E | 75.9 | Confident | 75.2 | Confident | 122 Ų | 122 | 115 Ų | 115 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 172.2 | -74.1 | -179.8 | -176.4 | 0 | 0 | 113.2 | L214 M215 I216 R221 K222 | L214-E218 PolarHBondContact O-N 3.13Å; L214-E218 VanDerWaalsContact O-N 3.1Å; M215-E218 WeakPolarHBondContact O-CB 3.45Å; M215-E218 PolarHBondContact O-N 3.36Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 2.9Å; E218-R221 PolarHBondContact O-N 3.29Å; E218-K222 WeakPolarHBondContact O-CG 3.43Å; E218-K222 PolarHBondContact O-N 2.91Å; E218-K222 VanDerWaalsContact O-N 3.15Å |
| 219 | I | 71.8 | Confident | 74.8 | Confident | 97 Ų | 97 | 114.5 Ų | 114.5 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 176.2 | -66.9 | 166.5 | 0 | 0 | 0 | 110.2 | M215 I216 R221 K222 I223 | M215-I219 WeakPolarHBondContact O-CG1 3.46Å; M215-I219 PolarHBondContact O-N 3.32Å; M215-I219 VanDerWaalsContact O-N 3.08Å; I216-I219 PolarHBondContact O-N 2.66Å; I216-I219 VanDerWaalsContact O-N 3.11Å; I219-R221 VanDerWaalsContact C-N 3.26Å; I219-R221 PolarHBondContact O-N 3.41Å; I219-K222 WeakPolarHBondContact O-CB 2.97Å; I219-K222 PolarHBondContact O-N 3.01Å; I219-K222 VanDerWaalsContact O-N 3.13Å; I219-I223 HydrophobicContact CG2-CD1 4.07Å; I219-I223 WeakPolarHBondContact O-CG1 3.34Å; I219-I223 PolarHBondContact O-N 2.73Å |
| 220 | V | 75.6 | Confident | 74.2 | Confident | 60 Ų | 60 | 113.9 Ų | 113.9 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | I216 K222 I223 Y224 | I216-V220 HydrophobicContact CG2-CG2 4.26Å; I216-V220 WeakPolarHBondContact O-CG2 3.2Å; I216-V220 PolarHBondContact O-N 2.92Å; V220-K222 PolarHBondContact O-N 3.13Å; V220-I223 PolarHBondContact O-N 3.14Å; V220-Y224 HydrophobicContact CG1-CD2 3.67Å; V220-Y224 HydrophobicContact CG1-CE2 3.48Å; V220-Y224 VanDerWaalsContact CG1-CE2 3.48Å; V220-Y224 VanDerWaalsContact O-CD2 3.24Å; V220-Y224 WeakPolarHBondContact O-CD2 3.12Å; V220-Y224 PolarHBondContact O-N 3.17Å |
| 221 | R | 78.3 | Confident | 73.6 | Confident | 184 Ų | 184 | 116.5 Ų | 116.5 | 69% | 0.694 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 175.7 | -142.9 | 176.4 | -171.8 | 179.9 | 1.5 | 112.4 | D217 E218 I219 Y224 E225 | D217-R221 WeakPolarHBondContact O-CB 2.92Å; D217-R221 PolarHBondContact O-N 3.39Å; E218-R221 PolarHBondContact O-N 3.29Å; I219-R221 VanDerWaalsContact C-N 3.26Å; I219-R221 PolarHBondContact O-N 3.41Å; R221-Y224 PolarHBondContact O-N 3.47Å; R221-E225 WeakPolarHBondContact O-CG 3.4Å; R221-E225 PolarHBondContact O-N 3.05Å; R221-E225 VanDerWaalsContact O-N 3.14Å |
| 222 | K | 73.4 | Confident | 73 | Confident | 128 Ų | 128 | 114.9 Ų | 114.9 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 175.3 | -70.9 | 175.1 | -179 | 173.3 | 0 | 112.2 | E218 I219 V220 Y224 E225 E226 | E218-K222 WeakPolarHBondContact O-CG 3.43Å; E218-K222 PolarHBondContact O-N 2.91Å; E218-K222 VanDerWaalsContact O-N 3.15Å; I219-K222 WeakPolarHBondContact O-CB 2.97Å; I219-K222 PolarHBondContact O-N 3.01Å; I219-K222 VanDerWaalsContact O-N 3.13Å; V220-K222 PolarHBondContact O-N 3.13Å; K222-Y224 PolarHBondContact O-N 3.21Å; K222-E225 PolarHBondContact O-N 3.13Å; K222-E226 PolarHBondContact O-N 3.42Å |
| 223 | I | 68.6 | Low | 72.4 | Confident | 83 Ų | 83 | 114.7 Ų | 114.7 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 175.3 | -65.9 | 169 | 0 | 0 | 0 | 110.7 | I219 V220 E225 E226 D227 | I219-I223 HydrophobicContact CG2-CD1 4.07Å; I219-I223 WeakPolarHBondContact O-CG1 3.34Å; I219-I223 PolarHBondContact O-N 2.73Å; V220-I223 PolarHBondContact O-N 3.14Å; I223-E225 VanDerWaalsContact C-N 3.29Å; I223-E225 PolarHBondContact O-N 3.31Å; I223-E226 PolarHBondContact O-N 3.28Å; I223-D227 WeakPolarHBondContact O-CB 3.41Å; I223-D227 PolarHBondContact O-N 3.37Å |
| 224 | Y | 73.3 | Confident | 71.8 | Confident | 163 Ų | 163 | 114.7 Ų | 114.7 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63 | -34.2 | 177.5 | -85.8 | -69.1 | 0 | 0 | 0 | 113.2 | V220 R221 K222 R228 | V220-Y224 HydrophobicContact CG1-CD2 3.67Å; V220-Y224 HydrophobicContact CG1-CE2 3.48Å; V220-Y224 VanDerWaalsContact CG1-CE2 3.48Å; V220-Y224 VanDerWaalsContact O-CD2 3.24Å; V220-Y224 WeakPolarHBondContact O-CD2 3.12Å; V220-Y224 PolarHBondContact O-N 3.17Å; R221-Y224 PolarHBondContact O-N 3.47Å; K222-Y224 PolarHBondContact O-N 3.21Å; Y224-R228 VanDerWaalsContact O-CB 3.31Å; Y224-R228 WeakPolarHBondContact O-CB 3.42Å; Y224-R228 PolarHBondContact O-N 2.92Å; Y224-R228 VanDerWaalsContact O-N 3.13Å |
| 225 | E | 74.1 | Confident | 71.4 | Confident | 120 Ų | 120 | 114.6 Ų | 114.6 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.8 | -42.6 | 176 | -72.4 | 172.4 | -173.4 | 0 | 0 | 111.8 | R221 K222 I223 R228 L229 | R221-E225 WeakPolarHBondContact O-CG 3.4Å; R221-E225 PolarHBondContact O-N 3.05Å; R221-E225 VanDerWaalsContact O-N 3.14Å; K222-E225 PolarHBondContact O-N 3.13Å; I223-E225 VanDerWaalsContact C-N 3.29Å; I223-E225 PolarHBondContact O-N 3.31Å; E225-R228 PolarHBondContact O-N 2.91Å; E225-L229 PolarHBondContact O-N 2.84Å |
| 226 | E | 69.4 | Low | 71.1 | Confident | 134 Ų | 134 | 115.2 Ų | 115.2 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -46.1 | 174.8 | -72.5 | 179.5 | 178.3 | 0 | 0 | 112.1 | K222 I223 R228 L229 E230 | K222-E226 PolarHBondContact O-N 3.42Å; I223-E226 PolarHBondContact O-N 3.28Å; E226-R228 VanDerWaalsContact C-N 3.25Å; E226-R228 PolarHBondContact O-N 3.24Å; E226-L229 PolarHBondContact O-N 3.4Å; E226-E230 PolarHBondContact O-N 3.15Å |
| 227 | D | 69 | Low | 70.7 | Confident | 67 Ų | 67 | 118.2 Ų | 118.2 | 36% | 0.358 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 176.4 | -88 | -6.9 | 0 | 0 | 0 | 112.4 | I223 E230 K231 | I223-D227 WeakPolarHBondContact O-CB 3.41Å; I223-D227 PolarHBondContact O-N 3.37Å; D227-E230 PolarHBondContact O-N 2.86Å; D227-K231 WeakPolarHBondContact O-CB 3.42Å; D227-K231 VanDerWaalsContact O-CG 3.31Å; D227-K231 WeakPolarHBondContact O-CG 3.26Å; D227-K231 PolarHBondContact O-N 3.41Å |
| 228 | R | 69.2 | Low | 69.9 | Low | 179 Ų | 179 | 119.9 Ų | 119.9 | 68% | 0.675 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.4 | -39.7 | 178.3 | -169.9 | 178.9 | 172.6 | -169.2 | -2.7 | 111.4 | Y224 E225 E226 Q232 | Y224-R228 VanDerWaalsContact O-CB 3.31Å; Y224-R228 WeakPolarHBondContact O-CB 3.42Å; Y224-R228 PolarHBondContact O-N 2.92Å; Y224-R228 VanDerWaalsContact O-N 3.13Å; E225-R228 PolarHBondContact O-N 2.91Å; E226-R228 VanDerWaalsContact C-N 3.25Å; E226-R228 PolarHBondContact O-N 3.24Å; R228-Q232 WeakPolarHBondContact O-CG 3.46Å; R228-Q232 PolarHBondContact O-N 3.49Å |
| 229 | L | 70.3 | Confident | 69.5 | Low | 105 Ų | 105 | 117.7 Ų | 117.7 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 174.1 | -72.5 | 165.2 | 0 | 0 | 0 | 111.2 | E225 E226 K231 Q232 Q233 | E225-L229 PolarHBondContact O-N 2.84Å; E226-L229 PolarHBondContact O-N 3.4Å; L229-K231 PolarHBondContact O-N 2.91Å; L229-Q232 PolarHBondContact O-N 2.8Å; L229-Q233 PolarHBondContact O-N 3.38Å |
| 230 | E | 69.1 | Low | 69.1 | Low | 89 Ų | 89 | 115.8 Ų | 115.8 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.5 | -151.9 | -154.7 | -178.9 | 0 | 0 | 112.2 | E226 D227 Q232 Q233 K234 | E226-E230 PolarHBondContact O-N 3.15Å; D227-E230 PolarHBondContact O-N 2.86Å; E230-Q232 PolarHBondContact O-N 3.17Å; E230-Q233 PolarHBondContact O-N 3.48Å; E230-K234 WeakPolarHBondContact O-CG 3.3Å; E230-K234 PolarHBondContact O-N 3.13Å; E230-K234 WeakPolarHBondContact OE1-CE 3.45Å; E230-K234 IonicContact OE1-NZ 3.01Å; E230-K234 PolarHBondContact OE1-NZ 3.34Å; E230-K234 IonicContact OE2-NZ 3.49Å; E230-K234 PolarHBondContact OE2-NZ 2.95Å |
| 231 | K | 69.8 | Low | 68.2 | Low | 134 Ų | 134 | 119 Ų | 119 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.8 | -38.1 | 174.6 | -78.9 | 173.7 | -176.1 | 169.3 | 0 | 112.9 | D227 L229 K234 L235 | D227-K231 WeakPolarHBondContact O-CB 3.42Å; D227-K231 VanDerWaalsContact O-CG 3.31Å; D227-K231 WeakPolarHBondContact O-CG 3.26Å; D227-K231 PolarHBondContact O-N 3.41Å; L229-K231 PolarHBondContact O-N 2.91Å; K231-K234 PolarHBondContact O-N 2.99Å; K231-L235 PolarHBondContact O-N 3.45Å |
| 232 | Q | 67.2 | Low | 67.7 | Low | 103 Ų | 103 | 116.7 Ų | 116.7 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 177.1 | -74.3 | 176.6 | -16.4 | 0 | 0 | 111.5 | R228 L229 E230 K234 L235 E236 | R228-Q232 WeakPolarHBondContact O-CG 3.46Å; R228-Q232 PolarHBondContact O-N 3.49Å; L229-Q232 PolarHBondContact O-N 2.8Å; E230-Q232 PolarHBondContact O-N 3.17Å; Q232-K234 PolarHBondContact O-N 3.28Å; Q232-L235 PolarHBondContact O-N 3.35Å; Q232-E236 PolarHBondContact O-N 2.89Å |
| 233 | Q | 65.3 | Low | 67.2 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 54% | 0.537 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | 175.9 | -66.3 | -179.8 | 3.9 | 0 | 0 | 113 | L229 E230 K237 | L229-Q233 PolarHBondContact O-N 3.38Å; E230-Q233 PolarHBondContact O-N 3.48Å; Q233-K237 WeakPolarHBondContact O-CG 3.41Å; Q233-K237 PolarHBondContact O-N 3.17Å |
| 234 | K | 68.6 | Low | 66.8 | Low | 115 Ų | 115 | 124.2 Ų | 124.2 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.2 | -39.2 | 174.2 | -76 | 173.4 | -178.8 | 160.5 | 0 | 112 | E230 K231 Q232 K237 M238 | E230-K234 WeakPolarHBondContact O-CG 3.3Å; E230-K234 PolarHBondContact O-N 3.13Å; E230-K234 WeakPolarHBondContact OE1-CE 3.45Å; E230-K234 IonicContact OE1-NZ 3.01Å; E230-K234 PolarHBondContact OE1-NZ 3.34Å; E230-K234 IonicContact OE2-NZ 3.49Å; E230-K234 PolarHBondContact OE2-NZ 2.95Å; K231-K234 PolarHBondContact O-N 2.99Å; Q232-K234 PolarHBondContact O-N 3.28Å; K234-K237 PolarHBondContact O-N 3.36Å; K234-M238 VanDerWaalsContact O-CB 3.31Å; K234-M238 WeakPolarHBondContact O-CB 3.44Å; K234-M238 PolarHBondContact O-N 3.43Å |
| 235 | L | 67.8 | Low | 66.5 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 53% | 0.529 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 177.6 | -110.1 | 144.6 | 0 | 0 | 0 | 112.7 | K231 Q232 M238 N239 | K231-L235 PolarHBondContact O-N 3.45Å; Q232-L235 PolarHBondContact O-N 3.35Å; L235-M238 PolarHBondContact O-N 3.17Å; L235-N239 WeakPolarHBondContact O-CB 3.22Å; L235-N239 VanDerWaalsContact O-CG 3.3Å; L235-N239 PolarHBondContact O-N 3.15Å; L235-N239 PolarHBondContact O-ND2 3.04Å |
| 236 | E | 64.9 | Low | 66.3 | Low | 142 Ų | 142 | 118.6 Ų | 118.6 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 176.2 | -70.4 | 178.8 | 169.7 | 0 | 0 | 112.2 | Q232 A240 | Q232-E236 PolarHBondContact O-N 2.89Å; E236-A240 PolarHBondContact O-N 3.18Å |
| 237 | K | 66.4 | Low | 65.9 | Low | 159 Ų | 159 | 118.7 Ų | 118.7 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -38.4 | 174.2 | -69 | 177.5 | -177.7 | 176.8 | 0 | 112.4 | Q233 K234 A240 M241 | Q233-K237 WeakPolarHBondContact O-CG 3.41Å; Q233-K237 PolarHBondContact O-N 3.17Å; K234-K237 PolarHBondContact O-N 3.36Å; K237-A240 PolarHBondContact O-N 3.2Å; K237-M241 PolarHBondContact O-N 2.78Å; K237-M241 VanDerWaalsContact O-N 3.13Å |
| 238 | M | 60 | Low | 65.6 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 58% | 0.576 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.5 | -38.9 | 178 | -170.8 | -175.1 | 168.3 | 0 | 0 | 112.1 | K234 L235 A240 M241 R242 | K234-M238 VanDerWaalsContact O-CB 3.31Å; K234-M238 WeakPolarHBondContact O-CB 3.44Å; K234-M238 PolarHBondContact O-N 3.43Å; L235-M238 PolarHBondContact O-N 3.17Å; M238-A240 VanDerWaalsContact C-N 3.35Å; M238-A240 PolarHBondContact O-N 3.43Å; M238-M241 PolarHBondContact O-N 2.81Å; M238-R242 VanDerWaalsContact O-CB 3.24Å; M238-R242 WeakPolarHBondContact O-CB 3.32Å; M238-R242 PolarHBondContact O-N 3.02Å |
| 239 | N | 68.2 | Low | 65.3 | Low | 76 Ų | 76 | 117.6 Ų | 117.6 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -33.6 | 177.8 | -75 | -25.2 | 0 | 0 | 0 | 112.8 | L235 R243 | L235-N239 WeakPolarHBondContact O-CB 3.22Å; L235-N239 VanDerWaalsContact O-CG 3.3Å; L235-N239 PolarHBondContact O-N 3.15Å; L235-N239 PolarHBondContact O-ND2 3.04Å; N239-R243 PolarHBondContact O-N 3.27Å |
| 240 | A | 62.7 | Low | 65 | Low | 57 Ų | 57 | 120.4 Ų | 120.4 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -43.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | E236 K237 M238 Y244 | E236-A240 PolarHBondContact O-N 3.18Å; K237-A240 PolarHBondContact O-N 3.2Å; M238-A240 VanDerWaalsContact C-N 3.35Å; M238-A240 PolarHBondContact O-N 3.43Å; A240-Y244 WeakPolarHBondContact O-CD2 3.49Å |
| 241 | M | 56.8 | Low | 64.3 | Low | 127 Ų | 127 | 123.1 Ų | 123.1 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69 | -35.1 | 177.7 | -162.7 | 120.2 | 177.4 | 0 | 0 | 112.7 | K237 M238 R243 Y244 I245 | K237-M241 PolarHBondContact O-N 2.78Å; K237-M241 VanDerWaalsContact O-N 3.13Å; M238-M241 PolarHBondContact O-N 2.81Å; M241-R243 PolarHBondContact O-N 3.26Å; M241-Y244 PolarHBondContact O-N 3.03Å; M241-I245 HydrophobicContact CG-CD1 3.7Å; M241-I245 HydrophobicContact CG-CG1 4.37Å; M241-I245 WeakPolarHBondContact O-CB 3.44Å; M241-I245 VanDerWaalsContact O-CG1 3.24Å; M241-I245 WeakPolarHBondContact O-CG1 3.45Å; M241-I245 PolarHBondContact O-N 2.95Å |
| 242 | R | 66.8 | Low | 63.6 | Low | 137 Ų | 137 | 120 Ų | 120 | 52% | 0.517 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.2 | -36.1 | 179.5 | -170.7 | 175.6 | -178.6 | 167.1 | 7 | 112.9 | M238 I245 E246 | M238-R242 VanDerWaalsContact O-CB 3.24Å; M238-R242 WeakPolarHBondContact O-CB 3.32Å; M238-R242 PolarHBondContact O-N 3.02Å; R242-I245 PolarHBondContact O-N 2.78Å; R242-E246 IonicContact NE-OE1 2.74Å; R242-E246 PolarHBondContact NE-OE1 3.07Å; R242-E246 WeakPolarHBondContact O-CB 3.41Å; R242-E246 WeakPolarHBondContact O-CG 3.44Å; R242-E246 PolarHBondContact O-N 3.28Å |
| 243 | R | 63.4 | Low | 63.2 | Low | 189 Ų | 189 | 117.7 Ų | 117.7 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 175.1 | -69.7 | 179.6 | -175.2 | 176 | 2.1 | 112.1 | N239 M241 | N239-R243 PolarHBondContact O-N 3.27Å; M241-R243 PolarHBondContact O-N 3.26Å |
| 244 | Y | 60.7 | Low | 62.9 | Low | 179 Ų | 179 | 118.9 Ų | 118.9 | 70% | 0.702 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69 | -33.4 | 174 | -79.5 | -73.9 | 0 | 0 | 0 | 113 | A240 M241 F248 | A240-Y244 WeakPolarHBondContact O-CD2 3.49Å; M241-Y244 PolarHBondContact O-N 3.03Å; Y244-F248 PolarHBondContact O-N 2.83Å |
| 245 | I | 67.6 | Low | 62.2 | Low | 70 Ų | 70 | 121.6 Ų | 121.6 | 36% | 0.359 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.6 | -36.5 | 177.7 | -70.2 | 166.6 | 0 | 0 | 0 | 112 | M241 R242 E247 F248 Q249 | M241-I245 HydrophobicContact CG-CD1 3.7Å; M241-I245 HydrophobicContact CG-CG1 4.37Å; M241-I245 WeakPolarHBondContact O-CB 3.44Å; M241-I245 VanDerWaalsContact O-CG1 3.24Å; M241-I245 WeakPolarHBondContact O-CG1 3.45Å; M241-I245 PolarHBondContact O-N 2.95Å; R242-I245 PolarHBondContact O-N 2.78Å; I245-E247 VanDerWaalsContact C-N 3.3Å; I245-E247 PolarHBondContact O-N 2.77Å; I245-F248 PolarHBondContact O-N 2.78Å; I245-Q249 HydrophobicContact CG2-CG 3.84Å; I245-Q249 VanDerWaalsContact CG2-NE2 3.26Å; I245-Q249 VanDerWaalsContact O-CB 3.26Å; I245-Q249 WeakPolarHBondContact O-CB 3.41Å; I245-Q249 VanDerWaalsContact O-CG 3.27Å; I245-Q249 WeakPolarHBondContact O-CG 3.46Å; I245-Q249 PolarHBondContact O-N 2.84Å |
| 246 | E | 70.2 | Confident | 61.6 | Low | 95 Ų | 95 | 122.4 Ų | 122.4 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.4 | -30.7 | 178.3 | -79.8 | 173.3 | -171.7 | 0 | 0 | 112.7 | R242 K250 | R242-E246 IonicContact NE-OE1 2.74Å; R242-E246 PolarHBondContact NE-OE1 3.07Å; R242-E246 WeakPolarHBondContact O-CB 3.41Å; R242-E246 WeakPolarHBondContact O-CG 3.44Å; R242-E246 PolarHBondContact O-N 3.28Å; E246-K250 WeakPolarHBondContact O-CG 3.22Å |
| 247 | E | 60.9 | Low | 61.4 | Low | 136 Ų | 136 | 123.2 Ų | 123.2 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.2 | -43.3 | 172.3 | -69.7 | 177.9 | 170.1 | 0 | 0 | 111.4 | I245 | I245-E247 VanDerWaalsContact C-N 3.3Å; I245-E247 PolarHBondContact O-N 2.77Å |
| 248 | F | 62.3 | Low | 60.8 | Low | 123 Ų | 123 | 123.9 Ų | 123.9 | 54% | 0.539 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.2 | -30.8 | 177.7 | -162.1 | -103 | 0 | 0 | 0 | 113.8 | Y244 I245 E251 Q252 | Y244-F248 PolarHBondContact O-N 2.83Å; I245-F248 PolarHBondContact O-N 2.78Å; F248-E251 PolarHBondContact O-N 3.23Å; F248-Q252 HydrophobicContact CE1-CG 4.26Å; F248-Q252 PolarHBondContact O-N 2.9Å; F248-Q252 VanDerWaalsContact O-N 3.14Å |
| 249 | Q | 61.9 | Low | 60.6 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.5 | -27.7 | 179.6 | -80.5 | -176 | 2.3 | 0 | 0 | 113.5 | I245 E251 Q252 A253 | I245-Q249 HydrophobicContact CG2-CG 3.84Å; I245-Q249 VanDerWaalsContact CG2-NE2 3.26Å; I245-Q249 VanDerWaalsContact O-CB 3.26Å; I245-Q249 WeakPolarHBondContact O-CB 3.41Å; I245-Q249 VanDerWaalsContact O-CG 3.27Å; I245-Q249 WeakPolarHBondContact O-CG 3.46Å; I245-Q249 PolarHBondContact O-N 2.84Å; Q249-E251 VanDerWaalsContact C-N 3.28Å; Q249-E251 PolarHBondContact O-N 3.36Å; Q249-Q252 PolarHBondContact O-N 3.42Å; Q249-A253 VanDerWaalsContact O-CB 3.25Å; Q249-A253 WeakPolarHBondContact O-CB 3.08Å; Q249-A253 PolarHBondContact O-N 3.5Å |
| 250 | K | 64.4 | Low | 59.8 | Low | 163 Ų | 163 | 126.4 Ų | 126.4 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.9 | -35.9 | 172.5 | -75.2 | 175.2 | -176.8 | 173.4 | 0 | 111.4 | E246 | E246-K250 WeakPolarHBondContact O-CG 3.22Å |
| 251 | E | 53.8 | Low | 59.6 | Low | 147 Ų | 147 | 130.9 Ų | 130.9 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.8 | -36.9 | 177 | -66.4 | -176.6 | 158.2 | 0 | 0 | 112.6 | F248 Q249 | F248-E251 PolarHBondContact O-N 3.23Å; Q249-E251 VanDerWaalsContact C-N 3.28Å; Q249-E251 PolarHBondContact O-N 3.36Å |
| 252 | Q | 55.9 | Low | 59.5 | Low | 67 Ų | 67 | 130.1 Ų | 130.1 | 31% | 0.313 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.8 | -28.4 | 174.5 | -88.4 | -166.1 | -13.1 | 0 | 0 | 114.9 | F248 Q249 L254 W255 R256 | F248-Q252 HydrophobicContact CE1-CG 4.26Å; F248-Q252 PolarHBondContact O-N 2.9Å; F248-Q252 VanDerWaalsContact O-N 3.14Å; Q249-Q252 PolarHBondContact O-N 3.42Å; Q252-L254 VanDerWaalsContact C-N 3.27Å; Q252-L254 PolarHBondContact O-N 3.43Å; Q252-W255 WeakPolarHBondContact O-CB 3.24Å; Q252-W255 PolarHBondContact O-N 2.88Å; Q252-W255 VanDerWaalsContact O-N 3.07Å; Q252-R256 PolarHBondContact O-N 2.89Å |
| 253 | A | 59.4 | Low | 58.6 | Low | 55 Ų | 55 | 128.7 Ų | 128.7 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.2 | -30.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q249 W255 K257 | Q249-A253 VanDerWaalsContact O-CB 3.25Å; Q249-A253 WeakPolarHBondContact O-CB 3.08Å; Q249-A253 PolarHBondContact O-N 3.5Å; A253-W255 VanDerWaalsContact C-N 3.35Å; A253-K257 PolarHBondContact O-N 3.07Å |
| 254 | L | 58.7 | Low | 58.3 | Low | 141 Ų | 141 | 126.2 Ų | 126.2 | 74% | 0.738 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.2 | -32.5 | 171.9 | -78.1 | 162 | 0 | 0 | 0 | 112.2 | Q252 | Q252-L254 VanDerWaalsContact C-N 3.27Å; Q252-L254 PolarHBondContact O-N 3.43Å |
| 255 | W | 52.9 | Low | 58.1 | Low | 172 Ų | 172 | 125 Ų | 125 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -77.7 | -39.8 | 177.3 | -171.9 | 84.1 | 0 | 0 | 0 | 112.6 | Q252 A253 K257 K258 | Q252-W255 WeakPolarHBondContact O-CB 3.24Å; Q252-W255 PolarHBondContact O-N 2.88Å; Q252-W255 VanDerWaalsContact O-N 3.07Å; A253-W255 VanDerWaalsContact C-N 3.35Å; W255-K257 PolarHBondContact O-N 3Å; W255-K258 PolarHBondContact O-N 3.48Å |
| 256 | R | 56.4 | Low | 57.5 | Low | 118 Ų | 118 | 127.7 Ų | 127.7 | 45% | 0.445 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.3 | -20.2 | -178.5 | -67.9 | -172.5 | -152.9 | 170.9 | 5.2 | 115.4 | Q252 K258 R260 | Q252-R256 PolarHBondContact O-N 2.89Å; R256-K258 VanDerWaalsContact C-N 3.32Å; R256-R260 PolarHBondContact O-N 3.03Å |
| 257 | K | 60 | Low | 56.9 | Low | 159 Ų | 159 | 128.3 Ų | 128.3 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.6 | -36.7 | 172.2 | -89.6 | -174.8 | 173.6 | -176.5 | 0 | 111.5 | A253 W255 K259 | A253-K257 PolarHBondContact O-N 3.07Å; W255-K257 PolarHBondContact O-N 3Å; K257-K259 PolarHBondContact O-N 3.13Å |
| 258 | K | 54.7 | Low | 56.9 | Low | 173 Ų | 173 | 131.1 Ų | 131.1 | 75% | 0.752 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.4 | -25.3 | 177.7 | -81.8 | -178 | 171.2 | -178.9 | 0 | 114.6 | W255 R256 | W255-K258 PolarHBondContact O-N 3.48Å; R256-K258 VanDerWaalsContact C-N 3.32Å |
| 259 | K | 54.2 | Low | 56.6 | Low | 100 Ų | 100 | 133.1 Ų | 133.1 | 44% | 0.435 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -91.5 | -17.4 | -177.6 | -117.6 | -68.4 | 179.7 | -155.7 | 0 | 114.2 | K257 E262 | K257-K259 PolarHBondContact O-N 3.13Å; K259-E262 WeakPolarHBondContact CD-OE2 3.4Å; K259-E262 WeakPolarHBondContact CE-OE2 3.48Å; K259-E262 IonicContact NZ-OE2 2.85Å; K259-E262 PolarHBondContact NZ-OE2 3.47Å |
| 260 | R | 53 | Low | 56.3 | Low | 146 Ų | 146 | 133.9 Ų | 133.9 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -79.9 | -30.2 | -174.5 | -125.5 | -179.3 | -65.1 | 166.1 | -1.9 | 113.4 | R256 E262 M263 | R256-R260 PolarHBondContact O-N 3.03Å; R260-E262 PolarHBondContact O-N 3.29Å; R260-M263 PolarHBondContact O-N 3.24Å |
| 261 | E | 57 | Low | 56 | Low | 150 Ų | 150 | 131.9 Ų | 131.9 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.7 | -27.9 | 173.7 | -69.9 | 173.1 | 168.4 | 0 | 0 | 111.9 | ||
| 262 | E | 54.5 | Low | 56.1 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 52% | 0.519 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -78.5 | -24.1 | 177.9 | -63.9 | 179.3 | 167.5 | 0 | 0 | 113.9 | K259 R260 | K259-E262 WeakPolarHBondContact CD-OE2 3.4Å; K259-E262 WeakPolarHBondContact CE-OE2 3.48Å; K259-E262 IonicContact NZ-OE2 2.85Å; K259-E262 PolarHBondContact NZ-OE2 3.47Å; R260-E262 PolarHBondContact O-N 3.29Å |
| 263 | M | 48.6 | Very low | 55.9 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 53% | 0.527 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -89.9 | -21.1 | -175 | -72.1 | -75.6 | -64.6 | 0 | 0 | 113.7 | R260 E265 E266 N267 | R260-M263 PolarHBondContact O-N 3.24Å; M263-E265 PolarHBondContact O-N 3.45Å; M263-E266 PolarHBondContact O-N 3.44Å; M263-N267 PolarHBondContact O-N 3.11Å |
| 264 | E | 57.4 | Low | 55.6 | Low | 138 Ų | 138 | 137.1 Ų | 137.1 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -19.4 | 179 | -72.9 | 179.3 | 177.9 | 0 | 0 | 112.6 | ||
| 265 | E | 57.1 | Low | 55.6 | Low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -29 | 174.5 | -63 | -170.3 | 157.6 | 0 | 0 | 113 | M263 | M263-E265 PolarHBondContact O-N 3.45Š|
| 266 | E | 53.3 | Low | 55.6 | Low | 127 Ų | 127 | 132.6 Ų | 132.6 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -80.1 | -28.6 | -179.7 | -64.3 | -172.3 | 163.6 | 0 | 0 | 112.6 | M263 R268 K269 | M263-E266 PolarHBondContact O-N 3.44Å; E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 2.88Å; E266-K269 PolarHBondContact O-N 3.26Å |
| 267 | N | 57.9 | Low | 55.3 | Low | 108 Ų | 108 | 133 Ų | 133 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -72.7 | -10.7 | -178.3 | -115 | -4.9 | 0 | 0 | 0 | 114.7 | M263 K269 | M263-N267 PolarHBondContact O-N 3.11Å; N267-K269 VanDerWaalsContact C-N 3.33Å |
| 268 | R | 61.1 | Low | 55 | Low | 196 Ų | 196 | 132.1 Ų | 132.1 | 74% | 0.74 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -72.6 | -24.4 | 174.3 | -67.3 | -175.7 | -177.5 | -178.3 | 2 | 113 | E266 | E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 2.88Å |
| 269 | K | 57.2 | Low | 55 | Low | 165 Ų | 165 | 130 Ų | 130 | 72% | 0.717 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -83 | -12.8 | -176.9 | -67.3 | 176.4 | -178.8 | 171 | 0 | 114.2 | E266 N267 | E266-K269 PolarHBondContact O-N 3.26Å; N267-K269 VanDerWaalsContact C-N 3.33Å |
| 270 | I | 55.4 | Low | 54.9 | Low | 116 Ų | 116 | 133 Ų | 133 | 60% | 0.595 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -85 | -23.7 | -177.1 | -63.6 | 179.1 | 0 | 0 | 0 | 112.1 | E272 | I270-E272 VanDerWaalsContact C-N 3.35Å; I270-E272 PolarHBondContact O-N 3.47Å |
| 271 | I | 57.4 | Low | 54.9 | Low | 121 Ų | 121 | 133.3 Ų | 133.3 | 62% | 0.621 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.4 | -28.9 | -178.4 | -64.7 | 171.6 | 0 | 0 | 0 | 112.1 | F273 A274 | I271-F273 VanDerWaalsContact C-N 3.3Å; I271-F273 PolarHBondContact O-N 3.08Å; I271-A274 PolarHBondContact O-N 3.06Å |
| 272 | E | 56.1 | Low | 54.7 | Low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71 | -21.8 | -178.6 | -65.8 | 177.5 | 168.8 | 0 | 0 | 113.4 | I270 | I270-E272 VanDerWaalsContact C-N 3.35Å; I270-E272 PolarHBondContact O-N 3.47Å |
| 273 | F | 52.3 | Low | 54.8 | Low | 171 Ų | 171 | 133.5 Ų | 133.5 | 75% | 0.75 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.6 | -24.1 | 179.1 | -165.1 | -101.3 | 0 | 0 | 0 | 113.3 | I271 | I271-F273 VanDerWaalsContact C-N 3.3Å; I271-F273 PolarHBondContact O-N 3.08Å |
| 274 | A | 53.7 | Low | 55.2 | Low | 63 Ų | 63 | 138.3 Ų | 138.3 | 52% | 0.521 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.2 | -30 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I271 M276 | I271-A274 PolarHBondContact O-N 3.06Å; A274-M276 VanDerWaalsContact C-N 3.31Å; A274-M276 PolarHBondContact O-N 3.3Å |
| 275 | N | 56.8 | Low | 54.8 | Low | 106 Ų | 106 | 138.3 Ų | 138.3 | 57% | 0.567 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.9 | -17.3 | -179.5 | -73.7 | -18.5 | 0 | 0 | 0 | 113.9 | ||
| 276 | M | 53.4 | Low | 54.9 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -85 | -6.5 | -178.3 | -69.1 | -65.1 | -70.2 | 0 | 0 | 114.5 | A274 | A274-M276 VanDerWaalsContact C-N 3.31Å; A274-M276 PolarHBondContact O-N 3.3Å |
| 277 | Q | 51.3 | Low | 55.2 | Low | 127 Ų | 127 | 135.4 Ų | 135.4 | 59% | 0.593 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -91.8 | -32.8 | 176.3 | -95.6 | -91.6 | -67.7 | 0 | 0 | 112.8 | R280 | Q277-R280 PolarHBondContact O-N 2.89Å |
| 278 | Q | 53.2 | Low | 55.3 | Low | 140 Ų | 140 | 134.5 Ų | 134.5 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.5 | -30.6 | -178.2 | -70.9 | -177.7 | -24.7 | 0 | 0 | 113.5 | R280 | Q278-R280 VanDerWaalsContact C-N 3.26Å; Q278-R280 PolarHBondContact O-N 3.34Å |
| 279 | Q | 54.6 | Low | 55 | Low | 127 Ų | 127 | 131.5 Ų | 131.5 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.6 | -13.2 | 177.7 | -68.9 | -172.8 | -16.8 | 0 | 0 | 114.6 | ||
| 280 | R | 51.5 | Low | 55 | Low | 163 Ų | 163 | 128.5 Ų | 128.5 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -88.5 | -15.3 | -179.7 | -76.6 | -172.2 | -118.5 | -177.1 | -3.5 | 114.5 | Q277 Q278 | Q277-R280 PolarHBondContact O-N 2.89Å; Q278-R280 VanDerWaalsContact C-N 3.26Å; Q278-R280 PolarHBondContact O-N 3.34Å |
| 281 | E | 53.2 | Low | 55.2 | Low | 153 Ų | 153 | 128.3 Ų | 128.3 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -86.7 | -30.3 | 176.1 | -71.4 | -164.7 | 147.6 | 0 | 0 | 112.4 | R284 | E281-R284 PolarHBondContact O-N 3.35Å |
| 282 | E | 52.3 | Low | 55.1 | Low | 145 Ų | 145 | 129 Ų | 129 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.6 | -34.9 | 179.3 | -68.1 | 178.2 | 158.3 | 0 | 0 | 112.7 | R284 M285 | E282-R284 VanDerWaalsContact C-N 3.29Å; E282-R284 PolarHBondContact O-N 2.91Å; E282-M285 PolarHBondContact O-N 3.49Å |
| 283 | D | 57.6 | Low | 55.4 | Low | 121 Ų | 121 | 128 Ų | 128 | 65% | 0.647 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.7 | -17.8 | 178.4 | -77.3 | -23.1 | 0 | 0 | 0 | 114.6 | ||
| 284 | R | 56.7 | Low | 55.9 | Low | 208 Ų | 208 | 125.1 Ų | 125.1 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.6 | -31.3 | 177.4 | -85.1 | -178 | 171.4 | 178.9 | -2.1 | 112.7 | E281 E282 | E281-R284 PolarHBondContact O-N 3.35Å; E282-R284 VanDerWaalsContact C-N 3.29Å; E282-R284 PolarHBondContact O-N 2.91Å |
| 285 | M | 48.2 | Very low | 56.3 | Low | 138 Ų | 138 | 131.7 Ų | 131.7 | 68% | 0.68 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78.6 | -26.1 | -177.4 | -67.6 | -63.8 | -74.1 | 0 | 0 | 112.8 | E282 | E282-M285 PolarHBondContact O-N 3.49Å |
| 286 | A | 60.4 | Low | 56.5 | Low | 63 Ų | 63 | 131.6 Ų | 131.6 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.9 | -29.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | V288 | A286-V288 PolarHBondContact O-N 3.02Å |
| 287 | K | 59 | Low | 57.2 | Low | 154 Ų | 154 | 132.9 Ų | 132.9 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.2 | -16.1 | -177.4 | -78.6 | -179.7 | 177.5 | 173.8 | 0 | 115 | N291 | K287-N291 PolarHBondContact O-ND2 2.91Å |
| 288 | V | 59.8 | Low | 57.8 | Low | 89 Ų | 89 | 132.7 Ų | 132.7 | 54% | 0.539 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -80.7 | -37.6 | 179.5 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | A286 N291 | A286-V288 PolarHBondContact O-N 3.02Å; V288-N291 PolarHBondContact O-N 3.48Å |
| 289 | Q | 54.9 | Low | 58.1 | Low | 133 Ų | 133 | 132 Ų | 132 | 62% | 0.621 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70 | -33.6 | -178 | -65.6 | -178.1 | -12.3 | 0 | 0 | 113 | N291 E292 | Q289-N291 VanDerWaalsContact C-N 3.27Å; Q289-N291 PolarHBondContact O-N 3.21Å; Q289-E292 PolarHBondContact O-N 3.42Å |
| 290 | E | 58.3 | Low | 58.7 | Low | 103 Ų | 103 | 130.4 Ų | 130.4 | 48% | 0.481 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.4 | -22 | 179.7 | -152.6 | -164.1 | 146.9 | 0 | 0 | 114 | K294 | E290-K294 IonicContact OE1-NZ 3.93Å; E290-K294 PolarHBondContact OE1-NZ 3.35Å |
| 291 | N | 57.8 | Low | 59.5 | Low | 112 Ų | 112 | 125 Ų | 125 | 60% | 0.599 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -87.6 | -24 | -179 | -74.8 | -38.9 | 0 | 0 | 0 | 113.2 | K287 V288 Q289 | K287-N291 PolarHBondContact O-ND2 2.91Å; V288-N291 PolarHBondContact O-N 3.48Å; Q289-N291 VanDerWaalsContact C-N 3.27Å; Q289-N291 PolarHBondContact O-N 3.21Å |
| 292 | E | 56.1 | Low | 60 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.7 | -35.4 | 176.1 | -71.4 | -174.7 | 151 | 0 | 0 | 112 | Q289 K294 R295 L296 | Q289-E292 PolarHBondContact O-N 3.42Å; E292-K294 PolarHBondContact O-N 3.47Å; E292-R295 PolarHBondContact O-N 2.84Å; E292-L296 PolarHBondContact O-N 3.48Å |
| 293 | E | 61.5 | Low | 60.7 | Low | 127 Ų | 127 | 119.6 Ų | 119.6 | 59% | 0.593 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.7 | -36 | 178 | -68.4 | -176.2 | 161.7 | 0 | 0 | 113.1 | R295 L296 Q297 | E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.22Å; E293-L296 PolarHBondContact O-N 2.9Å; E293-Q297 WeakPolarHBondContact O-CG 3.48Å; E293-Q297 PolarHBondContact O-N 3.48Å |
| 294 | K | 63.9 | Low | 61.3 | Low | 109 Ų | 109 | 119.8 Ų | 119.8 | 47% | 0.474 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.1 | -27.4 | 178.2 | -68.5 | 173.4 | -171.7 | 166.2 | 0 | 112.9 | E290 E292 | E290-K294 IonicContact OE1-NZ 3.93Å; E290-K294 PolarHBondContact OE1-NZ 3.35Å; E292-K294 PolarHBondContact O-N 3.47Å |
| 295 | R | 61.6 | Low | 61.9 | Low | 202 Ų | 202 | 116.9 Ų | 116.9 | 76% | 0.762 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.7 | -35.9 | 178.7 | -172.7 | 178.1 | 153.5 | -168.8 | -7.7 | 112.1 | E292 E293 Q299 | E292-R295 PolarHBondContact O-N 2.84Å; E293-R295 VanDerWaalsContact C-N 3.32Å; E293-R295 PolarHBondContact O-N 3.22Å; R295-Q299 PolarHBondContact O-N 3.41Å |
| 296 | L | 61.7 | Low | 62.5 | Low | 104 Ų | 104 | 115.8 Ų | 115.8 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70 | -34.7 | 176.3 | -82.9 | 155.4 | 0 | 0 | 0 | 112.7 | E292 E293 Q299 N300 | E292-L296 PolarHBondContact O-N 3.48Å; E293-L296 PolarHBondContact O-N 2.9Å; L296-Q299 PolarHBondContact O-N 2.95Å; L296-N300 PolarHBondContact O-N 2.96Å; L296-N300 PolarHBondContact O-ND2 3.45Å |
| 297 | Q | 67.4 | Low | 62.6 | Low | 138 Ų | 138 | 119 Ų | 119 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.7 | -34.1 | 177.3 | -70.3 | 175.6 | 0.9 | 0 | 0 | 113.1 | E293 A301 | E293-Q297 WeakPolarHBondContact O-CG 3.48Å; E293-Q297 PolarHBondContact O-N 3.48Å; Q297-A301 PolarHBondContact O-N 3.19Å |
| 298 | L | 64.1 | Low | 63.1 | Low | 124 Ų | 124 | 117.6 Ų | 117.6 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.6 | -34.5 | 178.2 | -148.2 | 94.6 | 0 | 0 | 0 | 112.4 | ||
| 299 | Q | 58.8 | Low | 63.2 | Low | 124 Ų | 124 | 119.2 Ų | 119.2 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.4 | -38 | -179.3 | -155.2 | 173.3 | 8.7 | 0 | 0 | 111.6 | R295 L296 L302 T303 | R295-Q299 PolarHBondContact O-N 3.41Å; L296-Q299 PolarHBondContact O-N 2.95Å; Q299-L302 PolarHBondContact O-N 3.22Å; Q299-T303 PolarHBondContact O-N 3.44Å; Q299-T303 PolarHBondContact O-OG1 3.21Å; Q299-T303 VanDerWaalsContact O-OG1 3.11Å |
| 300 | N | 67.8 | Low | 63.4 | Low | 95 Ų | 95 | 117.6 Ų | 117.6 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.1 | -29.1 | 177.6 | -71.1 | -21.7 | 0 | 0 | 0 | 113.7 | L296 T303 Q304 | L296-N300 PolarHBondContact O-N 2.96Å; L296-N300 PolarHBondContact O-ND2 3.45Å; N300-T303 WeakPolarHBondContact CA-OG1 3.49Å; N300-T303 PolarHBondContact O-OG1 2.89Å; N300-T303 VanDerWaalsContact O-OG1 3.11Å; N300-Q304 WeakPolarHBondContact O-CG 3.38Å; N300-Q304 PolarHBondContact O-N 2.9Å |
| 301 | A | 68.8 | Low | 63.6 | Low | 50 Ų | 50 | 121.4 Ų | 121.4 | 41% | 0.413 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.3 | -24.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q297 | Q297-A301 PolarHBondContact O-N 3.19Å |
| 302 | L | 63.6 | Low | 64 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -80.6 | -35.3 | 177.7 | -79.4 | 164.2 | 0 | 0 | 0 | 112.4 | Q299 L306 | Q299-L302 PolarHBondContact O-N 3.22Å; L302-L306 PolarHBondContact O-N 3.45Å |
| 303 | T | 67.7 | Low | 64.2 | Low | 75 Ų | 75 | 123.7 Ų | 123.7 | 46% | 0.46 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -41.3 | 175.3 | 25.8 | 0 | 0 | 0 | 0 | 112.4 | Q299 N300 K305 L306 E307 | Q299-T303 PolarHBondContact O-N 3.44Å; Q299-T303 PolarHBondContact O-OG1 3.21Å; Q299-T303 VanDerWaalsContact O-OG1 3.11Å; N300-T303 WeakPolarHBondContact CA-OG1 3.49Å; N300-T303 PolarHBondContact O-OG1 2.89Å; N300-T303 VanDerWaalsContact O-OG1 3.11Å; T303-K305 PolarHBondContact O-N 2.85Å; T303-L306 PolarHBondContact O-N 2.95Å; T303-E307 PolarHBondContact O-N 3.05Å; T303-E307 VanDerWaalsContact O-N 3.15Å |
| 304 | Q | 69.9 | Low | 64.2 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.3 | -38.2 | 177.6 | -71.4 | 176.4 | -9.6 | 0 | 0 | 112.9 | N300 L306 E307 E308 | N300-Q304 WeakPolarHBondContact O-CG 3.38Å; N300-Q304 PolarHBondContact O-N 2.9Å; Q304-L306 VanDerWaalsContact C-N 3.34Å; Q304-L306 PolarHBondContact O-N 3.2Å; Q304-E307 PolarHBondContact O-N 3.47Å; Q304-E308 WeakPolarHBondContact O-CG 3.39Å; Q304-E308 PolarHBondContact O-N 3.44Å; Q304-E308 VanDerWaalsContact O-N 3.17Å |
| 305 | K | 68.4 | Low | 64.2 | Low | 147 Ų | 147 | 122.4 Ų | 122.4 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.6 | -28.5 | 175.8 | -73.9 | -175.3 | 177.5 | -176.7 | 0 | 113.6 | T303 M309 | T303-K305 PolarHBondContact O-N 2.85Å; K305-M309 WeakPolarHBondContact O-CG 3.26Å; K305-M309 PolarHBondContact O-N 3.38Å |
| 306 | L | 60.5 | Low | 64.5 | Low | 115 Ų | 115 | 119 Ų | 119 | 60% | 0.602 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.4 | -38.5 | 175.3 | -95.6 | 158 | 0 | 0 | 0 | 111.8 | L302 T303 Q304 L310 | L302-L306 PolarHBondContact O-N 3.45Å; T303-L306 PolarHBondContact O-N 2.95Å; Q304-L306 VanDerWaalsContact C-N 3.34Å; Q304-L306 PolarHBondContact O-N 3.2Å; L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.11Å |
| 307 | E | 63.8 | Low | 64.5 | Low | 131 Ų | 131 | 119.5 Ų | 119.5 | 61% | 0.612 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.1 | -38.1 | 177 | -74.2 | 178.6 | 166.7 | 0 | 0 | 112.8 | T303 Q304 L310 R311 | T303-E307 PolarHBondContact O-N 3.05Å; T303-E307 VanDerWaalsContact O-N 3.15Å; Q304-E307 PolarHBondContact O-N 3.47Å; E307-L310 PolarHBondContact O-N 3.36Å; E307-R311 PolarHBondContact O-N 3.26Å; E307-R311 VanDerWaalsContact O-N 3.13Å |
| 308 | E | 67.9 | Low | 64.5 | Low | 124 Ų | 124 | 118.3 Ų | 118.3 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -38.3 | 175.7 | -72.8 | 176.1 | 169.7 | 0 | 0 | 112.6 | Q304 Q312 | Q304-E308 WeakPolarHBondContact O-CG 3.39Å; Q304-E308 PolarHBondContact O-N 3.44Å; Q304-E308 VanDerWaalsContact O-N 3.17Å; E308-Q312 WeakPolarHBondContact O-CG 3.28Å; E308-Q312 PolarHBondContact O-N 3.17Å; E308-Q312 VanDerWaalsContact O-N 3.14Å |
| 309 | M | 63.3 | Low | 64.8 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 61% | 0.611 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.5 | -32.1 | 177.3 | -73.3 | -71.8 | -66.3 | 0 | 0 | 113 | K305 R313 | K305-M309 WeakPolarHBondContact O-CG 3.26Å; K305-M309 PolarHBondContact O-N 3.38Å; M309-R313 PolarHBondContact O-N 3.5Å |
| 310 | L | 58.4 | Low | 65.2 | Low | 99 Ų | 99 | 120 Ų | 120 | 52% | 0.518 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.9 | -41.9 | 175.9 | -73.7 | 170.2 | 0 | 0 | 0 | 111.5 | L306 E307 Q312 R313 E314 | L306-L310 WeakPolarHBondContact O-CG 3.39Å; L306-L310 PolarHBondContact O-N 3.11Å; E307-L310 PolarHBondContact O-N 3.36Å; L310-Q312 PolarHBondContact O-N 3.36Å; L310-R313 WeakPolarHBondContact O-CB 3.45Å; L310-R313 PolarHBondContact O-N 3.16Å; L310-E314 WeakPolarHBondContact O-CG 3.48Å; L310-E314 PolarHBondContact O-N 3.21Å |
| 311 | R | 63.5 | Low | 65 | Low | 182 Ų | 182 | 121.1 Ų | 121.1 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.5 | -43.4 | 174.1 | -79.6 | -174.3 | 173.5 | 176.6 | 0.8 | 112.9 | E307 R313 E314 D315 | E307-R311 PolarHBondContact O-N 3.26Å; E307-R311 VanDerWaalsContact O-N 3.13Å; R311-R313 PolarHBondContact O-N 3.49Å; R311-E314 PolarHBondContact O-N 3.39Å; R311-D315 VanDerWaalsContact O-CG 3.24Å; R311-D315 PolarHBondContact O-N 2.98Å |
| 312 | Q | 64.6 | Low | 64.9 | Low | 117 Ų | 117 | 124.5 Ų | 124.5 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -26.8 | 177.5 | -71.3 | 176.3 | 2.6 | 0 | 0 | 113.3 | E308 L310 L316 | E308-Q312 WeakPolarHBondContact O-CG 3.28Å; E308-Q312 PolarHBondContact O-N 3.17Å; E308-Q312 VanDerWaalsContact O-N 3.14Å; L310-Q312 PolarHBondContact O-N 3.36Å; Q312-L316 WeakPolarHBondContact O-CD1 3.37Å; Q312-L316 WeakPolarHBondContact O-CG 3.2Å; Q312-L316 PolarHBondContact O-N 3.36Å |
| 313 | R | 61.7 | Low | 65 | Low | 178 Ų | 178 | 124.1 Ų | 124.1 | 67% | 0.672 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.7 | -42.4 | 173 | -105.3 | -173 | 176.8 | -169.6 | -0.7 | 112.2 | M309 L310 R311 L316 E317 | M309-R313 PolarHBondContact O-N 3.5Å; L310-R313 WeakPolarHBondContact O-CB 3.45Å; L310-R313 PolarHBondContact O-N 3.16Å; R311-R313 PolarHBondContact O-N 3.49Å; R313-L316 PolarHBondContact O-N 3.49Å; R313-E317 WeakPolarHBondContact O-CG 3.43Å; R313-E317 PolarHBondContact O-N 3.34Å |
| 314 | E | 61.8 | Low | 64.9 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -39.8 | 177.7 | -70.8 | 173.9 | 175.7 | 0 | 0 | 111.4 | L310 R311 E317 Q318 | L310-E314 WeakPolarHBondContact O-CG 3.48Å; L310-E314 PolarHBondContact O-N 3.21Å; R311-E314 PolarHBondContact O-N 3.39Å; E314-E317 PolarHBondContact O-N 3.18Å; E314-Q318 WeakPolarHBondContact O-CG 3.48Å; E314-Q318 PolarHBondContact O-N 3.25Å |
| 315 | D | 63.7 | Low | 64.8 | Low | 94 Ų | 94 | 128 Ų | 128 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -37 | 176.7 | -66 | -24 | 0 | 0 | 0 | 112.4 | R311 V319 | R311-D315 VanDerWaalsContact O-CG 3.24Å; R311-D315 PolarHBondContact O-N 2.98Å; D315-V319 WeakPolarHBondContact O-CG2 3.33Å; D315-V319 PolarHBondContact O-N 2.9Å |
| 316 | L | 66.4 | Low | 64.6 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.4 | -32.2 | 176 | -77.3 | 169.3 | 0 | 0 | 0 | 112.9 | Q312 R313 R320 | Q312-L316 WeakPolarHBondContact O-CD1 3.37Å; Q312-L316 WeakPolarHBondContact O-CG 3.2Å; Q312-L316 PolarHBondContact O-N 3.36Å; R313-L316 PolarHBondContact O-N 3.49Å; L316-R320 PolarHBondContact O-N 2.97Å |
| 317 | E | 63 | Low | 64.9 | Low | 115 Ų | 115 | 128 Ų | 128 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.4 | -34 | 176.4 | -75.9 | -179.2 | -179.5 | 0 | 0 | 112.2 | R313 E314 R320 Q321 | R313-E317 WeakPolarHBondContact O-CG 3.43Å; R313-E317 PolarHBondContact O-N 3.34Å; E314-E317 PolarHBondContact O-N 3.18Å; E317-R320 PolarHBondContact O-N 2.84Å; E317-Q321 WeakPolarHBondContact O-CG 3.48Å; E317-Q321 PolarHBondContact O-N 3.26Å; E317-Q321 VanDerWaalsContact O-N 3.11Å |
| 318 | Q | 66.5 | Low | 64.5 | Low | 113 Ų | 113 | 126 Ų | 126 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.4 | -46.6 | 173.2 | -75.3 | 178.9 | 8.1 | 0 | 0 | 112.1 | E314 R320 Q321 E322 | E314-Q318 WeakPolarHBondContact O-CG 3.48Å; E314-Q318 PolarHBondContact O-N 3.25Å; Q318-R320 VanDerWaalsContact C-N 3.26Å; Q318-R320 PolarHBondContact O-N 3.14Å; Q318-Q321 PolarHBondContact O-N 3.41Å; Q318-Q321 VanDerWaalsContact O-N 3.09Å; Q318-E322 WeakPolarHBondContact O-CG 3.31Å; Q318-E322 PolarHBondContact O-N 3.27Å |
| 319 | V | 71.5 | Confident | 64.5 | Low | 80 Ų | 80 | 122.4 Ų | 122.4 | 49% | 0.485 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -33.8 | 177.4 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | D315 L323 | D315-V319 WeakPolarHBondContact O-CG2 3.33Å; D315-V319 PolarHBondContact O-N 2.9Å; V319-L323 HydrophobicContact CG1-CD1 4.28Å; V319-L323 PolarHBondContact O-N 3.02Å |
| 320 | R | 66.9 | Low | 64.6 | Low | 203 Ų | 203 | 121.1 Ų | 121.1 | 77% | 0.766 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.6 | -34.2 | 175.8 | -167.4 | 179 | 179.7 | -176.7 | 0.3 | 112.5 | L316 E317 Q318 Y324 | L316-R320 PolarHBondContact O-N 2.97Å; E317-R320 PolarHBondContact O-N 2.84Å; Q318-R320 VanDerWaalsContact C-N 3.26Å; Q318-R320 PolarHBondContact O-N 3.14Å; R320-Y324 PolarHBondContact O-N 3.48Å |
| 321 | Q | 63.2 | Low | 65 | Low | 119 Ų | 119 | 120 Ų | 120 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.3 | -36 | 176.9 | -72.6 | 175.9 | 9 | 0 | 0 | 112 | E317 Q318 Q325 | E317-Q321 WeakPolarHBondContact O-CG 3.48Å; E317-Q321 PolarHBondContact O-N 3.26Å; E317-Q321 VanDerWaalsContact O-N 3.11Å; Q318-Q321 PolarHBondContact O-N 3.41Å; Q318-Q321 VanDerWaalsContact O-N 3.09Å; Q321-Q325 VanDerWaalsContact O-CG 3.31Å; Q321-Q325 WeakPolarHBondContact O-CG 3.12Å; Q321-Q325 PolarHBondContact O-N 3.25Å |
| 322 | E | 67.4 | Low | 65 | Low | 121 Ų | 121 | 119 Ų | 119 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.5 | -46.3 | 175.9 | -70.6 | 176 | 175.7 | 0 | 0 | 112.1 | Q318 Y324 Q325 E326 | Q318-E322 WeakPolarHBondContact O-CG 3.31Å; Q318-E322 PolarHBondContact O-N 3.27Å; E322-Y324 VanDerWaalsContact C-N 3.34Å; E322-Y324 PolarHBondContact O-N 2.84Å; E322-Q325 PolarHBondContact O-N 3.35Å; E322-E326 PolarHBondContact O-N 3.33Å |
| 323 | L | 64.1 | Low | 65.2 | Low | 100 Ų | 100 | 120 Ų | 120 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.1 | -39.6 | 175.8 | -92.1 | 157.3 | 0 | 0 | 0 | 113.1 | V319 E326 E327 | V319-L323 HydrophobicContact CG1-CD1 4.28Å; V319-L323 PolarHBondContact O-N 3.02Å; L323-E326 PolarHBondContact O-N 3.42Å; L323-E327 PolarHBondContact O-N 3.01Å |
| 324 | Y | 67 | Low | 65.4 | Low | 149 Ų | 149 | 119.3 Ų | 119.3 | 58% | 0.584 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.3 | -36.7 | 177.1 | -174 | -101.9 | 0 | 0 | 0 | 112.1 | R320 E322 Q328 | R320-Y324 PolarHBondContact O-N 3.48Å; E322-Y324 VanDerWaalsContact C-N 3.34Å; E322-Y324 PolarHBondContact O-N 2.84Å; Y324-Q328 HydrophobicContact CD1-CG 4.44Å; Y324-Q328 HydrophobicContact CE1-CG 4.14Å; Y324-Q328 VanDerWaalsContact O-CG 3.26Å; Y324-Q328 WeakPolarHBondContact O-CG 3.22Å; Y324-Q328 PolarHBondContact O-N 3.21Å |
| 325 | Q | 66.4 | Low | 65.6 | Low | 133 Ų | 133 | 119.5 Ų | 119.5 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.7 | -36.2 | 176.9 | -70.8 | 177.1 | 20 | 0 | 0 | 112 | Q321 E322 A329 | Q321-Q325 VanDerWaalsContact O-CG 3.31Å; Q321-Q325 WeakPolarHBondContact O-CG 3.12Å; Q321-Q325 PolarHBondContact O-N 3.25Å; E322-Q325 PolarHBondContact O-N 3.35Å; Q325-A329 WeakPolarHBondContact O-CB 3.19Å; Q325-A329 PolarHBondContact O-N 3.07Å; Q325-A329 VanDerWaalsContact O-N 3.08Å |
| 326 | E | 64.4 | Low | 65.6 | Low | 138 Ų | 138 | 119.7 Ų | 119.7 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.1 | -41.4 | 174.9 | -72.7 | -171.2 | 159.2 | 0 | 0 | 112.9 | E322 L323 Q328 A329 E330 | E322-E326 PolarHBondContact O-N 3.33Å; L323-E326 PolarHBondContact O-N 3.42Å; E326-Q328 PolarHBondContact O-N 2.99Å; E326-A329 PolarHBondContact O-N 3.08Å; E326-E330 PolarHBondContact O-N 3.46Å |
| 327 | E | 67.6 | Low | 65.7 | Low | 125 Ų | 125 | 121.1 Ų | 121.1 | 58% | 0.584 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.2 | -41.8 | 174.6 | -80.5 | -170.6 | 155.1 | 0 | 0 | 112.1 | L323 A329 E330 I331 | L323-E327 PolarHBondContact O-N 3.01Å; E327-A329 VanDerWaalsContact C-N 3.33Å; E327-A329 PolarHBondContact O-N 3.21Å; E327-E330 PolarHBondContact O-N 2.94Å; E327-I331 VanDerWaalsContact O-CG1 3.26Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 3.49Å |
| 328 | Q | 55.9 | Low | 65.9 | Low | 87 Ų | 87 | 120.9 Ų | 120.9 | 41% | 0.407 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.8 | -36.9 | 175.8 | -68.5 | -64.7 | -30.7 | 0 | 0 | 112 | Y324 E326 I331 Y332 | Y324-Q328 HydrophobicContact CD1-CG 4.44Å; Y324-Q328 HydrophobicContact CE1-CG 4.14Å; Y324-Q328 VanDerWaalsContact O-CG 3.26Å; Y324-Q328 WeakPolarHBondContact O-CG 3.22Å; Y324-Q328 PolarHBondContact O-N 3.21Å; E326-Q328 PolarHBondContact O-N 2.99Å; Q328-I331 PolarHBondContact O-N 3.42Å; Q328-Y332 PolarHBondContact O-N 2.97Å |
| 329 | A | 67.3 | Low | 66.1 | Low | 49 Ų | 49 | 120.9 Ų | 120.9 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.3 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q325 E326 E327 Y332 K333 | Q325-A329 WeakPolarHBondContact O-CB 3.19Å; Q325-A329 PolarHBondContact O-N 3.07Å; Q325-A329 VanDerWaalsContact O-N 3.08Å; E326-A329 PolarHBondContact O-N 3.08Å; E327-A329 VanDerWaalsContact C-N 3.33Å; E327-A329 PolarHBondContact O-N 3.21Å; A329-Y332 PolarHBondContact O-N 3.4Å; A329-K333 WeakPolarHBondContact O-CG 3.47Å; A329-K333 PolarHBondContact O-N 3.42Å |
| 330 | E | 64.5 | Low | 65.9 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 46% | 0.458 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.5 | -43.9 | 172.6 | -99.9 | -77.5 | 138.7 | 0 | 0 | 111.6 | E326 E327 Y332 K333 R334 | E326-E330 PolarHBondContact O-N 3.46Å; E327-E330 PolarHBondContact O-N 2.94Å; E330-Y332 VanDerWaalsContact C-N 3.34Å; E330-Y332 PolarHBondContact O-N 3.32Å; E330-K333 PolarHBondContact O-N 3.11Å; E330-R334 WeakPolarHBondContact O-CG 3.29Å; E330-R334 PolarHBondContact O-N 3.44Å; E330-R334 IonicContact OE2-CZ 2.68Å; E330-R334 IonicContact OE2-NE 2.82Å; E330-R334 PolarHBondContact OE2-NE 3.07Å; E330-R334 IonicContact OE2-NH2 3.65Å; E330-R334 PolarHBondContact OE2-NH2 3.26Å |
| 331 | I | 67 | Low | 66.1 | Low | 75 Ų | 75 | 114.9 Ų | 114.9 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.6 | -68.4 | 166.8 | 0 | 0 | 0 | 110.8 | E327 Q328 R334 K335 | E327-I331 VanDerWaalsContact O-CG1 3.26Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 3.49Å; Q328-I331 PolarHBondContact O-N 3.42Å; I331-R334 PolarHBondContact O-N 3.05Å; I331-K335 HydrophobicContact CG2-CD 4.27Å; I331-K335 WeakPolarHBondContact O-CG 3.47Å; I331-K335 PolarHBondContact O-N 3.44Å |
| 332 | Y | 63.7 | Low | 66.4 | Low | 162 Ų | 162 | 115.3 Ų | 115.3 | 64% | 0.635 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 178.1 | -135.4 | -87.3 | 0 | 0 | 0 | 112.2 | Q328 A329 E330 K335 L336 | Q328-Y332 PolarHBondContact O-N 2.97Å; A329-Y332 PolarHBondContact O-N 3.4Å; E330-Y332 VanDerWaalsContact C-N 3.34Å; E330-Y332 PolarHBondContact O-N 3.32Å; Y332-K335 PolarHBondContact O-N 3.21Å; Y332-L336 HydrophobicContact CD1-CD1 4.03Å; Y332-L336 PolarHBondContact O-N 2.91Å |
| 333 | K | 69 | Low | 66.5 | Low | 136 Ų | 136 | 116.4 Ų | 116.4 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -37.8 | 174.9 | -77.2 | 178.6 | -179.5 | 173.6 | 0 | 112.7 | A329 E330 K337 | A329-K333 WeakPolarHBondContact O-CG 3.47Å; A329-K333 PolarHBondContact O-N 3.42Å; E330-K333 PolarHBondContact O-N 3.11Å; K333-K337 WeakPolarHBondContact O-CG 3.35Å; K333-K337 PolarHBondContact O-N 3.3Å |
| 334 | R | 65.8 | Low | 66.6 | Low | 164 Ų | 164 | 117.2 Ų | 117.2 | 62% | 0.619 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 175 | -72.2 | -178.8 | -169.2 | -164.5 | 2.1 | 112 | E330 I331 L336 K337 E338 | E330-R334 WeakPolarHBondContact O-CG 3.29Å; E330-R334 PolarHBondContact O-N 3.44Å; E330-R334 IonicContact OE2-CZ 2.68Å; E330-R334 IonicContact OE2-NE 2.82Å; E330-R334 PolarHBondContact OE2-NE 3.07Å; E330-R334 IonicContact OE2-NH2 3.65Å; E330-R334 PolarHBondContact OE2-NH2 3.26Å; I331-R334 PolarHBondContact O-N 3.05Å; R334-L336 PolarHBondContact O-N 2.93Å; R334-K337 PolarHBondContact O-N 2.82Å; R334-E338 PolarHBondContact O-N 3.25Å |
| 335 | K | 66.4 | Low | 66.7 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 52% | 0.522 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.3 | -72.4 | 179.2 | 179.9 | 179.1 | 0 | 112.5 | I331 Y332 K337 E338 E339 | I331-K335 HydrophobicContact CG2-CD 4.27Å; I331-K335 WeakPolarHBondContact O-CG 3.47Å; I331-K335 PolarHBondContact O-N 3.44Å; Y332-K335 PolarHBondContact O-N 3.21Å; K335-K337 VanDerWaalsContact C-N 3.35Å; K335-K337 PolarHBondContact O-N 3.5Å; K335-E338 PolarHBondContact O-N 3Å; K335-E339 WeakPolarHBondContact O-CG 3.46Å; K335-E339 PolarHBondContact O-N 2.96Å |
| 336 | L | 64.4 | Low | 66.6 | Low | 98 Ų | 98 | 117.9 Ų | 117.9 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 175.5 | -82.4 | 163 | 0 | 0 | 0 | 113 | Y332 R334 A340 | Y332-L336 HydrophobicContact CD1-CD1 4.03Å; Y332-L336 PolarHBondContact O-N 2.91Å; R334-L336 PolarHBondContact O-N 2.93Å; L336-A340 WeakPolarHBondContact O-CB 3.49Å; L336-A340 PolarHBondContact O-N 3.5Å; L336-A340 VanDerWaalsContact O-N 3.08Å |
| 337 | K | 68.1 | Low | 66.6 | Low | 159 Ų | 159 | 117.8 Ų | 117.8 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.3 | -42.4 | 175.1 | -73.9 | -178.4 | -179.2 | -180 | 0 | 112.1 | K333 R334 K335 A340 E341 | K333-K337 WeakPolarHBondContact O-CG 3.35Å; K333-K337 PolarHBondContact O-N 3.3Å; R334-K337 PolarHBondContact O-N 2.82Å; K335-K337 VanDerWaalsContact C-N 3.35Å; K335-K337 PolarHBondContact O-N 3.5Å; K337-A340 PolarHBondContact O-N 2.89Å; K337-E341 WeakPolarHBondContact O-CB 3.48Å; K337-E341 PolarHBondContact O-N 3.4Å |
| 338 | E | 67.2 | Low | 66.6 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 176.4 | -75.8 | -176.1 | -174.5 | 0 | 0 | 112.8 | R334 K335 E341 K342 | R334-E338 PolarHBondContact O-N 3.25Å; K335-E338 PolarHBondContact O-N 3Å; E338-E341 PolarHBondContact O-N 3.26Å; E338-K342 WeakPolarHBondContact O-CB 3.35Å; E338-K342 VanDerWaalsContact O-CG 3.3Å; E338-K342 WeakPolarHBondContact O-CG 3.47Å; E338-K342 PolarHBondContact O-N 3.13Å |
| 339 | E | 70.3 | Confident | 67.1 | Low | 112 Ų | 112 | 119.7 Ų | 119.7 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -37.9 | 175.2 | -75.3 | -178 | -177.6 | 0 | 0 | 112.3 | K335 K343 | K335-E339 WeakPolarHBondContact O-CG 3.46Å; K335-E339 PolarHBondContact O-N 2.96Å; E339-K343 WeakPolarHBondContact O-CG 3.18Å; E339-K343 PolarHBondContact O-N 3.48Å |
| 340 | A | 68.1 | Low | 66.8 | Low | 60 Ų | 60 | 124.2 Ų | 124.2 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.8 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L336 K337 K343 L344 | L336-A340 WeakPolarHBondContact O-CB 3.49Å; L336-A340 PolarHBondContact O-N 3.5Å; L336-A340 VanDerWaalsContact O-N 3.08Å; K337-A340 PolarHBondContact O-N 2.89Å; A340-K343 PolarHBondContact O-N 2.95Å; A340-L344 PolarHBondContact O-N 3.49Å |
| 341 | E | 71.1 | Confident | 67 | Low | 98 Ų | 98 | 126.7 Ų | 126.7 | 46% | 0.458 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.6 | -40.4 | 177.7 | -157.7 | -174.1 | 159.8 | 0 | 0 | 112 | K337 E338 K343 L344 R345 | K337-E341 WeakPolarHBondContact O-CB 3.48Å; K337-E341 PolarHBondContact O-N 3.4Å; E338-E341 PolarHBondContact O-N 3.26Å; E341-K343 VanDerWaalsContact C-N 3.34Å; E341-K343 PolarHBondContact O-N 3.38Å; E341-L344 PolarHBondContact O-N 3.36Å; E341-R345 WeakPolarHBondContact O-CG 3.49Å; E341-R345 PolarHBondContact O-N 3.43Å; E341-R345 IonicContact OE1-CZ 3.12Å; E341-R345 IonicContact OE1-NE 2.64Å; E341-R345 IonicContact OE1-NH2 2.68Å; E341-R345 PolarHBondContact OE1-NH2 3.5Å |
| 342 | K | 68.8 | Low | 66.9 | Low | 127 Ų | 127 | 128.1 Ų | 128.1 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.7 | -36.1 | 174 | -75.1 | 172.7 | -177 | 169.4 | 0 | 112.4 | E338 K346 | E338-K342 WeakPolarHBondContact O-CB 3.35Å; E338-K342 VanDerWaalsContact O-CG 3.3Å; E338-K342 WeakPolarHBondContact O-CG 3.47Å; E338-K342 PolarHBondContact O-N 3.13Å; K342-K346 WeakPolarHBondContact O-CG 3.42Å; K342-K346 PolarHBondContact O-N 3.08Å |
| 343 | K | 69.6 | Low | 66.9 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.2 | -37.8 | 174.1 | -75.5 | 177.5 | -177.9 | 176.2 | 0 | 112.1 | E339 A340 E341 Q347 | E339-K343 WeakPolarHBondContact O-CG 3.18Å; E339-K343 PolarHBondContact O-N 3.48Å; A340-K343 PolarHBondContact O-N 2.95Å; E341-K343 VanDerWaalsContact C-N 3.34Å; E341-K343 PolarHBondContact O-N 3.38Å; K343-Q347 PolarHBondContact O-N 3.36Å |
| 344 | L | 66.8 | Low | 66.7 | Low | 117 Ų | 117 | 124.9 Ų | 124.9 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 177.4 | -168 | 69.8 | 0 | 0 | 0 | 112.5 | A340 E341 Q347 K348 | A340-L344 PolarHBondContact O-N 3.49Å; E341-L344 PolarHBondContact O-N 3.36Å; L344-Q347 PolarHBondContact O-N 3.44Å; L344-K348 PolarHBondContact O-N 3.42Å |
| 345 | R | 67.8 | Low | 66.9 | Low | 154 Ų | 154 | 123.6 Ų | 123.6 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.3 | -45.5 | 175.1 | -71.3 | -178 | -170.8 | -164.2 | 4 | 112 | E341 Q347 K348 E349 | E341-R345 WeakPolarHBondContact O-CG 3.49Å; E341-R345 PolarHBondContact O-N 3.43Å; E341-R345 IonicContact OE1-CZ 3.12Å; E341-R345 IonicContact OE1-NE 2.64Å; E341-R345 IonicContact OE1-NH2 2.68Å; E341-R345 PolarHBondContact OE1-NH2 3.5Å; R345-Q347 VanDerWaalsContact C-N 3.31Å; R345-Q347 PolarHBondContact O-N 3.34Å; R345-K348 WeakPolarHBondContact O-CB 3.38Å; R345-K348 PolarHBondContact O-N 3.38Å; R345-E349 PolarHBondContact O-N 2.83Å |
| 346 | K | 65.2 | Low | 67 | Low | 142 Ų | 142 | 123.9 Ų | 123.9 | 62% | 0.617 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.6 | -33 | 176.7 | -71.4 | -178.6 | 179.2 | -170.3 | 0 | 113.6 | K342 M350 | K342-K346 WeakPolarHBondContact O-CG 3.42Å; K342-K346 PolarHBondContact O-N 3.08Å; K346-M350 WeakPolarHBondContact O-CB 3.32Å; K346-M350 VanDerWaalsContact O-CG 3.25Å; K346-M350 WeakPolarHBondContact O-CG 3.3Å; K346-M350 PolarHBondContact O-N 3.38Å |
| 347 | Q | 63.8 | Low | 66.8 | Low | 135 Ų | 135 | 126 Ų | 126 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.1 | -25.9 | 174.1 | -76.4 | -173.4 | 0 | 0 | 0 | 113.4 | K343 L344 R345 | K343-Q347 PolarHBondContact O-N 3.36Å; L344-Q347 PolarHBondContact O-N 3.44Å; R345-Q347 VanDerWaalsContact C-N 3.31Å; R345-Q347 PolarHBondContact O-N 3.34Å |
| 348 | K | 68.6 | Low | 66.5 | Low | 145 Ų | 145 | 122.9 Ų | 122.9 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.1 | -44.2 | 175.5 | -114.9 | -177.6 | 176.2 | -175.1 | 0 | 111.7 | L344 R345 K351 Q352 | L344-K348 PolarHBondContact O-N 3.42Å; R345-K348 WeakPolarHBondContact O-CB 3.38Å; R345-K348 PolarHBondContact O-N 3.38Å; K348-K351 PolarHBondContact O-N 3.12Å; K348-Q352 WeakPolarHBondContact O-CG 3.46Å; K348-Q352 PolarHBondContact O-N 3.46Å; K348-Q352 VanDerWaalsContact O-N 3.12Å |
| 349 | E | 65.6 | Low | 66.6 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.8 | -46.7 | 176.2 | -72.3 | 168.6 | 177.5 | 0 | 0 | 111 | R345 K351 Q352 D353 | R345-E349 PolarHBondContact O-N 2.83Å; E349-K351 PolarHBondContact O-N 3Å; E349-K351 VanDerWaalsContact O-N 3.16Å; E349-Q352 PolarHBondContact O-N 3.28Å; E349-Q352 VanDerWaalsContact O-N 3.1Å; E349-D353 PolarHBondContact O-N 3.28Å |
| 350 | M | 61.2 | Low | 66.2 | Low | 144 Ų | 144 | 120.5 Ų | 120.5 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.3 | -27.4 | 176.4 | -75.6 | -91.7 | -69.7 | 0 | 0 | 114.6 | K346 | K346-M350 WeakPolarHBondContact O-CB 3.32Å; K346-M350 VanDerWaalsContact O-CG 3.25Å; K346-M350 WeakPolarHBondContact O-CG 3.3Å; K346-M350 PolarHBondContact O-N 3.38Å |
| 351 | K | 68 | Low | 65.8 | Low | 150 Ų | 150 | 124.7 Ų | 124.7 | 65% | 0.652 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.6 | -36.8 | 175.7 | -78.4 | -174.9 | 176.6 | -173.5 | 0 | 112 | K348 E349 F354 E355 | K348-K351 PolarHBondContact O-N 3.12Å; E349-K351 PolarHBondContact O-N 3Å; E349-K351 VanDerWaalsContact O-N 3.16Å; K351-F354 PolarHBondContact O-N 2.9Å; K351-E355 WeakPolarHBondContact O-CG 3.44Å; K351-E355 PolarHBondContact O-N 2.71Å |
| 352 | Q | 64.9 | Low | 65.4 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.2 | -42 | 177.5 | -70.3 | 177.5 | -37.3 | 0 | 0 | 111.3 | K348 E349 F354 E355 E356 | K348-Q352 WeakPolarHBondContact O-CG 3.46Å; K348-Q352 PolarHBondContact O-N 3.46Å; K348-Q352 VanDerWaalsContact O-N 3.12Å; E349-Q352 PolarHBondContact O-N 3.28Å; E349-Q352 VanDerWaalsContact O-N 3.1Å; Q352-F354 VanDerWaalsContact C-N 3.26Å; Q352-F354 PolarHBondContact O-N 3.42Å; Q352-E355 PolarHBondContact O-N 2.91Å; Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 3.21Å |
| 353 | D | 64.9 | Low | 65.2 | Low | 94 Ų | 94 | 125.8 Ų | 125.8 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -32.3 | 177.3 | -65.4 | -20.8 | 0 | 0 | 0 | 112.9 | E349 Q357 | E349-D353 PolarHBondContact O-N 3.28Å; D353-Q357 PolarHBondContact O-N 3.06Å |
| 354 | F | 65 | Low | 64.8 | Low | 136 Ų | 136 | 123.9 Ų | 123.9 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.7 | -38.4 | 176.7 | -175.8 | -100.6 | 0 | 0 | 0 | 112.5 | K351 Q352 M358 | K351-F354 PolarHBondContact O-N 2.9Å; Q352-F354 VanDerWaalsContact C-N 3.26Å; Q352-F354 PolarHBondContact O-N 3.42Å; F354-M358 HydrophobicContact CE1-CG 4.31Å; F354-M358 HydrophobicContact CZ-CG 4.36Å; F354-M358 WeakPolarHBondContact O-CG 3.35Å; F354-M358 PolarHBondContact O-N 2.93Å |
| 355 | E | 70.1 | Confident | 64.5 | Low | 137 Ų | 137 | 123.9 Ų | 123.9 | 64% | 0.64 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.4 | -38.4 | 176 | -72.1 | 172.4 | -178.5 | 0 | 0 | 111.3 | K351 Q352 M358 A359 | K351-E355 WeakPolarHBondContact O-CG 3.44Å; K351-E355 PolarHBondContact O-N 2.71Å; Q352-E355 PolarHBondContact O-N 2.91Å; E355-M358 PolarHBondContact O-N 3.37Å; E355-A359 PolarHBondContact O-N 3.48Å |
| 356 | E | 66.8 | Low | 64 | Low | 125 Ų | 125 | 122.9 Ų | 122.9 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.4 | -37.4 | 177.4 | -69.7 | 179.5 | -173.7 | 0 | 0 | 113.1 | Q352 M358 L360 | Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 3.21Å; E356-M358 PolarHBondContact O-N 3.48Å; E356-L360 PolarHBondContact O-N 2.92Å |
| 357 | Q | 60.3 | Low | 63.7 | Low | 143 Ų | 143 | 118.8 Ų | 118.8 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.2 | -33.6 | 175 | -89.1 | -169.4 | -3.7 | 0 | 0 | 113.6 | D353 K361 | D353-Q357 PolarHBondContact O-N 3.06Å; Q357-K361 PolarHBondContact O-N 2.86Å |
| 358 | M | 63.2 | Low | 63.4 | Low | 93 Ų | 93 | 115 Ų | 115 | 46% | 0.458 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73 | -38.3 | 179.3 | -70 | -61.1 | -65.1 | 0 | 0 | 112 | F354 E355 E356 L360 K361 E362 | F354-M358 HydrophobicContact CE1-CG 4.31Å; F354-M358 HydrophobicContact CZ-CG 4.36Å; F354-M358 WeakPolarHBondContact O-CG 3.35Å; F354-M358 PolarHBondContact O-N 2.93Å; E355-M358 PolarHBondContact O-N 3.37Å; E356-M358 PolarHBondContact O-N 3.48Å; M358-L360 PolarHBondContact O-N 3.43Å; M358-K361 PolarHBondContact O-N 3.22Å; M358-E362 PolarHBondContact O-N 3.27Å |
| 359 | A | 67.6 | Low | 63 | Low | 53 Ų | 53 | 115.4 Ų | 115.4 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.7 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E355 K361 E362 L363 | E355-A359 PolarHBondContact O-N 3.48Å; A359-K361 VanDerWaalsContact C-N 3.3Å; A359-K361 PolarHBondContact O-N 3.22Å; A359-E362 PolarHBondContact O-N 2.87Å; A359-L363 PolarHBondContact O-N 3.35Å |
| 360 | L | 61.7 | Low | 62.7 | Low | 119 Ų | 119 | 117 Ų | 117 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.8 | -30.4 | 176 | -74.9 | 169 | 0 | 0 | 0 | 112.7 | E356 M358 V364 | E356-L360 PolarHBondContact O-N 2.92Å; M358-L360 PolarHBondContact O-N 3.43Å; L360-V364 WeakPolarHBondContact O-CG2 3.49Å |
| 361 | K | 61.3 | Low | 62.7 | Low | 148 Ų | 148 | 117.3 Ų | 117.3 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.3 | -31.2 | -179.5 | -155.8 | 176.8 | -176.1 | -179.7 | 0 | 112.9 | Q357 M358 A359 | Q357-K361 PolarHBondContact O-N 2.86Å; M358-K361 PolarHBondContact O-N 3.22Å; A359-K361 VanDerWaalsContact C-N 3.3Å; A359-K361 PolarHBondContact O-N 3.22Å |
| 362 | E | 62.1 | Low | 62.3 | Low | 133 Ų | 133 | 117.2 Ų | 117.2 | 62% | 0.621 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.4 | -35.3 | 177.2 | -72.7 | -176.4 | 164.5 | 0 | 0 | 112.8 | M358 A359 V364 L365 | M358-E362 PolarHBondContact O-N 3.27Å; A359-E362 PolarHBondContact O-N 2.87Å; E362-V364 PolarHBondContact O-N 3.47Å; E362-L365 PolarHBondContact O-N 3.49Å |
| 363 | L | 63.8 | Low | 62 | Low | 115 Ų | 115 | 118.5 Ų | 118.5 | 60% | 0.602 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.6 | -35.4 | 176.8 | -81.9 | 162.8 | 0 | 0 | 0 | 113 | A359 Q366 | A359-L363 PolarHBondContact O-N 3.35Å; L363-Q366 PolarHBondContact O-N 3.15Å |
| 364 | V | 62.1 | Low | 61.9 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.6 | -32.6 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | L360 E362 | L360-V364 WeakPolarHBondContact O-CG2 3.49Å; E362-V364 PolarHBondContact O-N 3.47Å |
| 365 | L | 59.7 | Low | 61.4 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 61% | 0.613 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.7 | -23.3 | -179.7 | -78.3 | 166.7 | 0 | 0 | 0 | 113.7 | E362 | E362-L365 PolarHBondContact O-N 3.49Å |
| 366 | Q | 59.1 | Low | 60.7 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.6 | -38.8 | 177.3 | -69.9 | -178.8 | -6.1 | 0 | 0 | 111.7 | L363 A368 K369 | L363-Q366 PolarHBondContact O-N 3.15Å; Q366-A368 VanDerWaalsContact C-N 3.35Å; Q366-A368 PolarHBondContact O-N 3.35Å; Q366-K369 PolarHBondContact O-N 2.96Å |
| 367 | A | 58.8 | Low | 60.2 | Low | 56 Ų | 56 | 123.8 Ų | 123.8 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.9 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K369 E370 | A367-K369 VanDerWaalsContact C-N 3.31Å; A367-K369 PolarHBondContact O-N 2.94Å; A367-E370 PolarHBondContact O-N 3.31Å |
| 368 | A | 56.6 | Low | 60 | Low | 57 Ų | 57 | 121.3 Ų | 121.3 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.5 | -26.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q366 | Q366-A368 VanDerWaalsContact C-N 3.35Å; Q366-A368 PolarHBondContact O-N 3.35Å |
| 369 | K | 59.6 | Low | 59.5 | Low | 153 Ų | 153 | 121.8 Ų | 121.8 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.9 | -29.4 | 179.9 | -73.5 | 179.5 | 177.8 | 178.5 | 0 | 113 | Q366 A367 | Q366-K369 PolarHBondContact O-N 2.96Å; A367-K369 VanDerWaalsContact C-N 3.31Å; A367-K369 PolarHBondContact O-N 2.94Å |
| 370 | E | 59.1 | Low | 58.9 | Low | 141 Ų | 141 | 126 Ų | 126 | 66% | 0.659 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.5 | -25.7 | -179.4 | -66.9 | -178.3 | 164.8 | 0 | 0 | 112.3 | A367 N374 | A367-E370 PolarHBondContact O-N 3.31Å; E370-N374 PolarHBondContact O-ND2 3.41Å |
| 371 | E | 61.3 | Low | 58.7 | Low | 150 Ų | 150 | 123.5 Ų | 123.5 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74 | -34.5 | 176.6 | -66.1 | -168.7 | 162.9 | 0 | 0 | 112.9 | E373 | E371-E373 PolarHBondContact O-N 3.41Å |
| 372 | E | 60.4 | Low | 58.2 | Low | 149 Ų | 149 | 124 Ų | 124 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.7 | -32.8 | -179.8 | -74.4 | -169.2 | 160.5 | 0 | 0 | 113.6 | F375 | E372-F375 PolarHBondContact O-N 2.94Å |
| 373 | E | 59.1 | Low | 57.7 | Low | 132 Ų | 132 | 124.6 Ų | 124.6 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.7 | -28.7 | -179.2 | -67.7 | -164.7 | 161.9 | 0 | 0 | 113.2 | E371 | E371-E373 PolarHBondContact O-N 3.41Å |
| 374 | N | 61.4 | Low | 57.2 | Low | 108 Ų | 108 | 122.9 Ų | 122.9 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.8 | -28.4 | 177.8 | -76.1 | -30.5 | 0 | 0 | 0 | 112.5 | E370 | E370-N374 PolarHBondContact O-ND2 3.41Å |
| 375 | F | 55.7 | Low | 56.7 | Low | 144 Ų | 144 | 125.1 Ų | 125.1 | 63% | 0.632 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.4 | -30 | 177.4 | -168.2 | -102.6 | 0 | 0 | 0 | 113.2 | E372 T378 M379 | E372-F375 PolarHBondContact O-N 2.94Å; F375-T378 PolarHBondContact O-OG1 3.45Å; F375-M379 HydrophobicContact CE1-CE 3.94Å |
| 376 | R | 54.4 | Low | 56.1 | Low | 204 Ų | 204 | 125.4 Ų | 125.4 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.3 | -30.7 | 178.6 | -100.7 | 179.3 | 172.4 | 146.5 | -0.9 | 114.1 | ||
| 377 | K | 57.1 | Low | 55.6 | Low | 146 Ų | 146 | 125.6 Ų | 125.6 | 64% | 0.635 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.3 | -26.1 | -175.8 | -69.2 | 174.3 | -176 | 165.5 | 0 | 113.3 | ||
| 378 | T | 55.5 | Low | 55.4 | Low | 91 Ų | 91 | 134.1 Ų | 134.1 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.8 | -22.2 | -177.7 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | F375 | F375-T378 PolarHBondContact O-OG1 3.45Å |
| 379 | M | 52.5 | Low | 55.3 | Low | 104 Ų | 104 | 138 Ų | 138 | 51% | 0.512 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -82.1 | -27.4 | -177.4 | -144.7 | -165.1 | -66.1 | 0 | 0 | 113.4 | F375 F383 | F375-M379 HydrophobicContact CE1-CE 3.94Å; M379-F383 WeakPolarHBondContact O-CD2 3.45Å |
| 380 | L | 55.9 | Low | 55.1 | Low | 140 Ų | 140 | 138 Ų | 138 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -21.6 | -179.5 | -81.9 | 160.4 | 0 | 0 | 0 | 114 | ||
| 381 | A | 56.5 | Low | 54.8 | Low | 68 Ų | 68 | 139.6 Ų | 139.6 | 56% | 0.562 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -24.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 382 | K | 52.4 | Low | 54.4 | Low | 159 Ų | 159 | 141.3 Ų | 141.3 | 69% | 0.691 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -28.7 | -175.9 | -75.2 | -177.1 | 172.6 | 179.5 | 0 | 114.1 | A384 | K382-A384 VanDerWaalsContact C-N 3.34Å; K382-A384 PolarHBondContact O-N 3.07Å |
| 383 | F | 51.4 | Low | 54.2 | Low | 145 Ų | 145 | 138.4 Ų | 138.4 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.8 | -16.4 | -176.2 | -73.2 | -68.9 | 0 | 0 | 0 | 114 | M379 | M379-F383 WeakPolarHBondContact O-CD2 3.45Å |
| 384 | A | 52.8 | Low | 54 | Low | 79 Ų | 79 | 135.5 Ų | 135.5 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -82.8 | -15.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K382 | K382-A384 VanDerWaalsContact C-N 3.34Å; K382-A384 PolarHBondContact O-N 3.07Å |
| 385 | E | 51.1 | Low | 53.7 | Low | 153 Ų | 153 | 138.5 Ų | 138.5 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -89.7 | -23.9 | -177 | -69.1 | -170.1 | 154.6 | 0 | 0 | 113.3 | ||
| 386 | D | 47.4 | Very low | 53.7 | Low | 122 Ų | 122 | 139.4 Ų | 139.4 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -84.3 | -22.6 | -173.2 | -72.8 | -27.7 | 0 | 0 | 0 | 113.9 | R388 | D386-R388 VanDerWaalsContact C-N 3.27Å; D386-R388 PolarHBondContact O-N 3.3Å |
| 387 | D | 49.7 | Very low | 53.7 | Low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -7.6 | -177.6 | -78.9 | -15.8 | 0 | 0 | 0 | 114.4 | ||
| 388 | R | 53.1 | Low | 53.8 | Low | 235 Ų | 235 | 135.2 Ų | 135.2 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -11.3 | -172.7 | -142.6 | 174.7 | -173.6 | 170.5 | 2.2 | 114.5 | D386 | D386-R388 VanDerWaalsContact C-N 3.27Å; D386-R388 PolarHBondContact O-N 3.3Å |
| 389 | I | 54.5 | Low | 54 | Low | 138 Ų | 138 | 136.9 Ų | 136.9 | 71% | 0.708 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -109.3 | -0.9 | -167.9 | -62 | 179.1 | 0 | 0 | 0 | 113.3 | ||
| 390 | E | 55.8 | Low | 54.6 | Low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -14.5 | -169.3 | -102.9 | -171.1 | 162.8 | 0 | 0 | 117.2 | M392 | E390-M392 PolarHBondContact O-N 2.87Š|
| 391 | L | 53.3 | Low | 55 | Low | 175 Ų | 175 | 136.5 Ų | 136.5 | 92% | 0.916 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 7.2 | -162.3 | -103.1 | 159 | 0 | 0 | 0 | 118.2 | ||
| 392 | M | 52.7 | Low | 55.8 | Low | 185 Ų | 185 | 137.6 Ų | 137.6 | 91% | 0.911 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -127.6 | 1.3 | -175.7 | -89.8 | -112.9 | -176 | 0 | 0 | 117.4 | E390 | E390-M392 PolarHBondContact O-N 2.87Š|
| 393 | N | 54.9 | Low | 56.8 | Low | 88 Ų | 88 | 136.3 Ų | 136.3 | 47% | 0.471 | 66% | 0.663 | S | S | . | * | trans | -118 | 13.9 | -171.3 | -82.9 | -43.7 | 0 | 0 | 0 | 116.7 | Q395 Q397 | N393-Q395 PolarHBondContact O-N 2.97Å; N393-Q395 VanDerWaalsContact O-N 3.15Å; N393-Q397 HydrophobicContact CB-CG 3.95Å; N393-Q397 WeakPolarHBondContact O-CB 3.47Å; N393-Q397 VanDerWaalsContact O-CD 3.29Å; N393-Q397 WeakPolarHBondContact O-CG 3.32Å; N393-Q397 PolarHBondContact O-N 3.31Å; N393-Q397 PolarHBondContact O-OE1 3.31Å | ||
| 394 | A | 56.8 | Low | 58 | Low | 72 Ų | 72 | 135.1 Ų | 135.1 | 60% | 0.595 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.1 | -27.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 395 | Q | 53.4 | Low | 59.1 | Low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -95.7 | -36.4 | -175.7 | -161.1 | 175.3 | 1 | 0 | 0 | 114 | N393 Q397 | N393-Q395 PolarHBondContact O-N 2.97Å; N393-Q395 VanDerWaalsContact O-N 3.15Å; Q395-Q397 VanDerWaalsContact C-N 3.32Å |
| 396 | K | 56.5 | Low | 60.4 | Low | 164 Ų | 164 | 140 Ų | 140 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.9 | -30 | 169.6 | -96.8 | 179.9 | 177.1 | 174.3 | 0 | 111.8 | K400 | K396-K400 PolarHBondContact O-N 3.41Å |
| 397 | Q | 55.3 | Low | 62 | Low | 79 Ų | 79 | 136.4 Ų | 136.4 | 37% | 0.369 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.1 | -45.3 | 172.5 | -81.8 | 169.3 | -13.2 | 0 | 0 | 111.9 | N393 Q395 M399 K400 Q401 | N393-Q397 HydrophobicContact CB-CG 3.95Å; N393-Q397 WeakPolarHBondContact O-CB 3.47Å; N393-Q397 VanDerWaalsContact O-CD 3.29Å; N393-Q397 WeakPolarHBondContact O-CG 3.32Å; N393-Q397 PolarHBondContact O-N 3.31Å; N393-Q397 PolarHBondContact O-OE1 3.31Å; Q395-Q397 VanDerWaalsContact C-N 3.32Å; Q397-M399 PolarHBondContact O-N 2.99Å; Q397-K400 PolarHBondContact O-N 3.16Å; Q397-Q401 WeakPolarHBondContact O-CA 3.25Å; Q397-Q401 WeakPolarHBondContact O-CB 3.37Å; Q397-Q401 WeakPolarHBondContact O-CG 3.33Å; Q397-Q401 PolarHBondContact O-N 3.32Å |
| 398 | R | 58.1 | Low | 63.5 | Low | 182 Ų | 182 | 133.5 Ų | 133.5 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.1 | -42.5 | -177.3 | -82.2 | 179.7 | 177.8 | 179.8 | 0.5 | 114.1 | L402 | R398-L402 PolarHBondContact O-N 2.91Å; R398-L402 VanDerWaalsContact O-N 3.12Å |
| 399 | M | 59.6 | Low | 64.8 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.2 | -44 | 179 | -70.3 | -58.7 | -73.5 | 0 | 0 | 112.2 | Q397 Q401 L402 E403 | Q397-M399 PolarHBondContact O-N 2.99Å; M399-Q401 VanDerWaalsContact C-N 3.35Å; M399-Q401 PolarHBondContact O-N 3.44Å; M399-L402 PolarHBondContact O-N 2.82Å; M399-E403 PolarHBondContact O-N 3.1Å |
| 400 | K | 65.5 | Low | 66.1 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.4 | -35.1 | 174.3 | -71.7 | -170.9 | 175.6 | -170.4 | 0 | 112.3 | K396 Q397 E403 H404 | K396-K400 PolarHBondContact O-N 3.41Å; Q397-K400 PolarHBondContact O-N 3.16Å; K400-E403 PolarHBondContact O-N 3.38Å; K400-H404 VanDerWaalsContact O-CB 3.23Å; K400-H404 WeakPolarHBondContact O-CB 3.43Å; K400-H404 PolarHBondContact O-CD2 3.17Å; K400-H404 PolarHBondContact O-N 3.03Å |
| 401 | Q | 64.1 | Low | 67.4 | Low | 109 Ų | 109 | 124 Ų | 124 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.6 | -36 | 175.8 | -78.4 | 168 | -1.1 | 0 | 0 | 111.8 | Q397 M399 R405 | Q397-Q401 WeakPolarHBondContact O-CA 3.25Å; Q397-Q401 WeakPolarHBondContact O-CB 3.37Å; Q397-Q401 WeakPolarHBondContact O-CG 3.33Å; Q397-Q401 PolarHBondContact O-N 3.32Å; M399-Q401 VanDerWaalsContact C-N 3.35Å; M399-Q401 PolarHBondContact O-N 3.44Å; Q401-R405 WeakPolarHBondContact O-CA 3.38Å; Q401-R405 WeakPolarHBondContact O-CB 3.39Å; Q401-R405 PolarHBondContact O-N 3.24Å |
| 402 | L | 73.8 | Confident | 68.7 | Low | 92 Ų | 92 | 119.4 Ų | 119.4 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.3 | -40.9 | 175.2 | -82.5 | 162.8 | 0 | 0 | 0 | 112 | R398 M399 R405 R406 | R398-L402 PolarHBondContact O-N 2.91Å; R398-L402 VanDerWaalsContact O-N 3.12Å; M399-L402 PolarHBondContact O-N 2.82Å; L402-R405 PolarHBondContact O-N 3.44Å; L402-R406 WeakPolarHBondContact O-CG 3.21Å; L402-R406 PolarHBondContact O-N 3.26Å |
| 403 | E | 73.1 | Confident | 70.2 | Confident | 131 Ų | 131 | 115.5 Ų | 115.5 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.7 | -44.4 | 174.9 | -70.3 | 177.8 | 171.5 | 0 | 0 | 111.9 | M399 K400 R405 R406 A407 | M399-E403 PolarHBondContact O-N 3.1Å; K400-E403 PolarHBondContact O-N 3.38Å; E403-R405 VanDerWaalsContact C-N 3.34Å; E403-R405 PolarHBondContact O-N 2.84Å; E403-R406 PolarHBondContact O-N 3.46Å; E403-A407 WeakPolarHBondContact O-CB 3.35Å; E403-A407 PolarHBondContact O-N 2.91Å |
| 404 | H | 76.6 | Confident | 71.6 | Confident | 120 Ų | 120 | 116 Ų | 116 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 173 | -71.7 | -52.1 | 0 | 0 | 0 | 111.8 | K400 A407 V408 | K400-H404 VanDerWaalsContact O-CB 3.23Å; K400-H404 WeakPolarHBondContact O-CB 3.43Å; K400-H404 PolarHBondContact O-CD2 3.17Å; K400-H404 PolarHBondContact O-N 3.03Å; H404-A407 PolarHBondContact O-N 3.34Å; H404-V408 WeakPolarHBondContact O-CB 3.43Å; H404-V408 WeakPolarHBondContact O-CG2 3.24Å; H404-V408 PolarHBondContact O-N 3Å |
| 405 | R | 75.6 | Confident | 72.8 | Confident | 161 Ų | 161 | 121.7 Ų | 121.7 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -44.5 | 175.5 | -179.2 | 175.1 | -179.7 | 162 | 4 | 111.4 | Q401 L402 E403 V408 E409 | Q401-R405 WeakPolarHBondContact O-CA 3.38Å; Q401-R405 WeakPolarHBondContact O-CB 3.39Å; Q401-R405 PolarHBondContact O-N 3.24Å; L402-R405 PolarHBondContact O-N 3.44Å; E403-R405 VanDerWaalsContact C-N 3.34Å; E403-R405 PolarHBondContact O-N 2.84Å; R405-V408 PolarHBondContact O-N 3.43Å; R405-E409 HydrophobicContact CG-CG 4.46Å; R405-E409 WeakPolarHBondContact CG-OE1 3.44Å; R405-E409 IonicContact NE-OE1 3.09Å; R405-E409 PolarHBondContact NE-OE1 2.99Å; R405-E409 VanDerWaalsContact NE-OE1 3.09Å; R405-E409 VanDerWaalsContact O-CB 3.28Å; R405-E409 WeakPolarHBondContact O-CB 3.39Å; R405-E409 VanDerWaalsContact O-CG 3.28Å; R405-E409 WeakPolarHBondContact O-CG 3.45Å; R405-E409 PolarHBondContact O-N 3.42Å |
| 406 | R | 79.6 | Confident | 74.2 | Confident | 174 Ų | 174 | 121.2 Ų | 121.2 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -39 | 174.3 | -74.2 | 176.5 | 178.6 | 176.9 | 0 | 112.4 | L402 E403 K410 | L402-R406 WeakPolarHBondContact O-CG 3.21Å; L402-R406 PolarHBondContact O-N 3.26Å; E403-R406 PolarHBondContact O-N 3.46Å; R406-K410 WeakPolarHBondContact O-CB 3.3Å; R406-K410 WeakPolarHBondContact O-CG 3.37Å; R406-K410 PolarHBondContact O-N 3.32Å |
| 407 | A | 79.1 | Confident | 75.7 | Confident | 47 Ų | 47 | 119.5 Ų | 119.5 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E403 H404 K410 L411 | E403-A407 WeakPolarHBondContact O-CB 3.35Å; E403-A407 PolarHBondContact O-N 2.91Å; H404-A407 PolarHBondContact O-N 3.34Å; A407-K410 PolarHBondContact O-N 3.36Å; A407-L411 WeakPolarHBondContact O-CB 3.45Å; A407-L411 VanDerWaalsContact O-CG 3.29Å; A407-L411 WeakPolarHBondContact O-CG 3.47Å; A407-L411 PolarHBondContact O-N 3.39Å |
| 408 | V | 82.2 | Confident | 77 | Confident | 75 Ų | 75 | 121.5 Ų | 121.5 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 175 | 168.9 | 0 | 0 | 0 | 0 | 111 | H404 R405 L411 I412 | H404-V408 WeakPolarHBondContact O-CB 3.43Å; H404-V408 WeakPolarHBondContact O-CG2 3.24Å; H404-V408 PolarHBondContact O-N 3Å; R405-V408 PolarHBondContact O-N 3.43Å; V408-L411 PolarHBondContact O-N 3.46Å; V408-I412 HydrophobicContact CG1-CD1 3.67Å; V408-I412 HydrophobicContact CG1-CG1 4.29Å; V408-I412 WeakPolarHBondContact O-CB 3.22Å; V408-I412 WeakPolarHBondContact O-CG1 3.4Å; V408-I412 PolarHBondContact O-N 3.04Å |
| 409 | E | 80.9 | Confident | 78.4 | Confident | 84 Ų | 84 | 118.7 Ų | 118.7 | 39% | 0.393 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 173.7 | -79.4 | 169.1 | -173.4 | 0 | 0 | 110.7 | R405 L411 I412 E413 | R405-E409 HydrophobicContact CG-CG 4.46Å; R405-E409 WeakPolarHBondContact CG-OE1 3.44Å; R405-E409 IonicContact NE-OE1 3.09Å; R405-E409 PolarHBondContact NE-OE1 2.99Å; R405-E409 VanDerWaalsContact NE-OE1 3.09Å; R405-E409 VanDerWaalsContact O-CB 3.28Å; R405-E409 WeakPolarHBondContact O-CB 3.39Å; R405-E409 VanDerWaalsContact O-CG 3.28Å; R405-E409 WeakPolarHBondContact O-CG 3.45Å; R405-E409 PolarHBondContact O-N 3.42Å; E409-L411 PolarHBondContact O-N 3.33Å; E409-I412 PolarHBondContact O-N 3.34Å; E409-E413 WeakPolarHBondContact O-CB 3.38Å; E409-E413 PolarHBondContact O-N 2.92Å |
| 410 | K | 81.7 | Confident | 79.7 | Confident | 136 Ų | 136 | 117.5 Ų | 117.5 | 59% | 0.591 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 172.1 | -75.8 | -176.3 | 178.6 | -170.7 | 0 | 112.9 | R406 A407 I412 E413 E414 | R406-K410 WeakPolarHBondContact O-CB 3.3Å; R406-K410 WeakPolarHBondContact O-CG 3.37Å; R406-K410 PolarHBondContact O-N 3.32Å; A407-K410 PolarHBondContact O-N 3.36Å; K410-I412 VanDerWaalsContact C-N 3.29Å; K410-I412 PolarHBondContact O-N 3.38Å; K410-E413 PolarHBondContact O-N 2.88Å; K410-E414 WeakPolarHBondContact O-CB 3.49Å; K410-E414 VanDerWaalsContact O-CG 3.29Å; K410-E414 WeakPolarHBondContact O-CG 3.49Å; K410-E414 PolarHBondContact O-N 3.07Å |
| 411 | L | 82.9 | Confident | 80.8 | Confident | 108 Ų | 108 | 113.4 Ų | 113.4 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | 175.8 | -74.4 | 169.5 | 0 | 0 | 0 | 112.4 | A407 V408 E409 R415 | A407-L411 WeakPolarHBondContact O-CB 3.45Å; A407-L411 VanDerWaalsContact O-CG 3.29Å; A407-L411 WeakPolarHBondContact O-CG 3.47Å; A407-L411 PolarHBondContact O-N 3.39Å; V408-L411 PolarHBondContact O-N 3.46Å; E409-L411 PolarHBondContact O-N 3.33Å; L411-R415 WeakPolarHBondContact O-CB 3.48Å; L411-R415 PolarHBondContact O-N 3.48Å |
| 412 | I | 81.3 | Confident | 82 | Confident | 77 Ų | 77 | 112.7 Ų | 112.7 | 40% | 0.395 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.6 | -41.7 | 174.2 | -70.4 | 165.3 | 0 | 0 | 0 | 110.3 | V408 E409 K410 R415 R416 | V408-I412 HydrophobicContact CG1-CD1 3.67Å; V408-I412 HydrophobicContact CG1-CG1 4.29Å; V408-I412 WeakPolarHBondContact O-CB 3.22Å; V408-I412 WeakPolarHBondContact O-CG1 3.4Å; V408-I412 PolarHBondContact O-N 3.04Å; E409-I412 PolarHBondContact O-N 3.34Å; K410-I412 VanDerWaalsContact C-N 3.29Å; K410-I412 PolarHBondContact O-N 3.38Å; I412-R415 PolarHBondContact O-N 3.35Å; I412-R416 WeakPolarHBondContact O-CB 3.33Å; I412-R416 VanDerWaalsContact O-CG 3.27Å; I412-R416 WeakPolarHBondContact O-CG 3.46Å; I412-R416 PolarHBondContact O-N 2.81Å |
| 413 | E | 84.1 | Confident | 82.8 | Confident | 104 Ų | 104 | 112.6 Ų | 112.6 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 176 | -125.7 | 112.3 | -130.5 | 0 | 0 | 111.4 | E409 K410 R416 Q417 | E409-E413 WeakPolarHBondContact O-CB 3.38Å; E409-E413 PolarHBondContact O-N 2.92Å; K410-E413 PolarHBondContact O-N 2.88Å; E413-R416 PolarHBondContact O-N 2.94Å; E413-Q417 WeakPolarHBondContact O-CB 3.27Å; E413-Q417 WeakPolarHBondContact O-CG 3.39Å; E413-Q417 PolarHBondContact O-N 3.31Å |
| 414 | E | 83.7 | Confident | 83.5 | Confident | 97 Ų | 97 | 112.2 Ų | 112.2 | 45% | 0.453 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.2 | -74.2 | 169.8 | -172.1 | 0 | 0 | 111 | K410 R416 Q417 Q418 | K410-E414 WeakPolarHBondContact O-CB 3.49Å; K410-E414 VanDerWaalsContact O-CG 3.29Å; K410-E414 WeakPolarHBondContact O-CG 3.49Å; K410-E414 PolarHBondContact O-N 3.07Å; E414-R416 VanDerWaalsContact C-N 3.34Å; E414-R416 PolarHBondContact O-N 3.34Å; E414-Q417 PolarHBondContact O-N 3.18Å; E414-Q418 WeakPolarHBondContact O-CB 3.48Å; E414-Q418 VanDerWaalsContact O-CG 3.27Å; E414-Q418 WeakPolarHBondContact O-CG 3.46Å; E414-Q418 PolarHBondContact O-N 3.25Å |
| 415 | R | 81.6 | Confident | 84 | Confident | 193 Ų | 193 | 111.8 Ų | 111.8 | 73% | 0.728 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -36.3 | 174.6 | 179.6 | 175.3 | -91.4 | -172.4 | -6.6 | 112.3 | L411 I412 F419 | L411-R415 WeakPolarHBondContact O-CB 3.48Å; L411-R415 PolarHBondContact O-N 3.48Å; I412-R415 PolarHBondContact O-N 3.35Å; R415-F419 VanDerWaalsContact O-CB 3.3Å; R415-F419 WeakPolarHBondContact O-CB 3.45Å; R415-F419 PolarHBondContact O-N 3.42Å |
| 416 | R | 83.4 | Confident | 84.7 | Confident | 160 Ų | 160 | 108.9 Ų | 108.9 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 174 | -79.2 | 174.3 | 178.6 | 177 | 0.2 | 111.5 | I412 E413 E414 F419 L420 | I412-R416 WeakPolarHBondContact O-CB 3.33Å; I412-R416 VanDerWaalsContact O-CG 3.27Å; I412-R416 WeakPolarHBondContact O-CG 3.46Å; I412-R416 PolarHBondContact O-N 2.81Å; E413-R416 PolarHBondContact O-N 2.94Å; E414-R416 VanDerWaalsContact C-N 3.34Å; E414-R416 PolarHBondContact O-N 3.34Å; R416-F419 PolarHBondContact O-N 3.32Å; R416-L420 WeakPolarHBondContact O-CB 3.5Å; R416-L420 VanDerWaalsContact O-CG 3.28Å; R416-L420 WeakPolarHBondContact O-CG 3.47Å; R416-L420 PolarHBondContact O-N 2.97Å |
| 417 | Q | 86.7 | Confident | 85.3 | Confident | 128 Ų | 128 | 105.4 Ų | 105.4 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 175.9 | -74 | 177.8 | 3 | 0 | 0 | 111.6 | E413 E414 L420 A421 | E413-Q417 WeakPolarHBondContact O-CB 3.27Å; E413-Q417 WeakPolarHBondContact O-CG 3.39Å; E413-Q417 PolarHBondContact O-N 3.31Å; E414-Q417 PolarHBondContact O-N 3.18Å; Q417-L420 PolarHBondContact O-N 3.01Å; Q417-A421 WeakPolarHBondContact O-CB 3.33Å; Q417-A421 PolarHBondContact O-N 2.97Å |
| 418 | Q | 83.8 | Confident | 85.9 | Confident | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.5 | -48.7 | 172.5 | -74.8 | 171.6 | -7.1 | 0 | 0 | 111.2 | E414 L420 A421 D422 | E414-Q418 WeakPolarHBondContact O-CB 3.48Å; E414-Q418 VanDerWaalsContact O-CG 3.27Å; E414-Q418 WeakPolarHBondContact O-CG 3.46Å; E414-Q418 PolarHBondContact O-N 3.25Å; Q418-L420 VanDerWaalsContact C-N 3.32Å; Q418-L420 PolarHBondContact O-N 3.48Å; Q418-A421 PolarHBondContact O-N 3.09Å; Q418-A421 VanDerWaalsContact O-N 3.17Å; Q418-D422 WeakPolarHBondContact O-CB 3.43Å; Q418-D422 PolarHBondContact O-N 3.49Å |
| 419 | F | 86.2 | Confident | 86.2 | Confident | 122 Ų | 122 | 110.6 Ų | 110.6 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 177 | 179.8 | -96.5 | 0 | 0 | 0 | 112.9 | R415 R416 K423 | R415-F419 VanDerWaalsContact O-CB 3.3Å; R415-F419 WeakPolarHBondContact O-CB 3.45Å; R415-F419 PolarHBondContact O-N 3.42Å; R416-F419 PolarHBondContact O-N 3.32Å; F419-K423 HydrophobicContact CD1-CG 4.25Å; F419-K423 HydrophobicContact CE1-CG 3.89Å; F419-K423 HydrophobicContact CE2-CG 4.34Å; F419-K423 HydrophobicContact CZ-CD 4.28Å; F419-K423 HydrophobicContact CZ-CG 3.94Å; F419-K423 WeakPolarHBondContact O-CB 3.41Å; F419-K423 WeakPolarHBondContact O-CG 3.5Å; F419-K423 PolarHBondContact O-N 3.32Å |
| 420 | L | 88.1 | Confident | 86.5 | Confident | 102 Ų | 102 | 113.7 Ų | 113.7 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 175.7 | -72.3 | 172.1 | 0 | 0 | 0 | 111.9 | R416 Q417 Q418 K423 Q424 | R416-L420 WeakPolarHBondContact O-CB 3.5Å; R416-L420 VanDerWaalsContact O-CG 3.28Å; R416-L420 WeakPolarHBondContact O-CG 3.47Å; R416-L420 PolarHBondContact O-N 2.97Å; Q417-L420 PolarHBondContact O-N 3.01Å; Q418-L420 VanDerWaalsContact C-N 3.32Å; Q418-L420 PolarHBondContact O-N 3.48Å; L420-K423 PolarHBondContact O-N 3.32Å; L420-Q424 WeakPolarHBondContact O-CB 3.4Å; L420-Q424 VanDerWaalsContact O-CG 3.29Å; L420-Q424 WeakPolarHBondContact O-CG 3.45Å; L420-Q424 PolarHBondContact O-N 3.24Å |
| 421 | A | 89.4 | Confident | 86.9 | Confident | 40 Ų | 40 | 111 Ų | 111 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q417 Q418 K423 Q424 H425 | Q417-A421 WeakPolarHBondContact O-CB 3.33Å; Q417-A421 PolarHBondContact O-N 2.97Å; Q418-A421 PolarHBondContact O-N 3.09Å; Q418-A421 VanDerWaalsContact O-N 3.17Å; A421-K423 PolarHBondContact O-N 3.05Å; A421-Q424 PolarHBondContact O-N 3.48Å; A421-H425 WeakPolarHBondContact O-CB 3.09Å; A421-H425 PolarHBondContact O-N 3.3Å |
| 422 | D | 89.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 109.8 Ų | 109.8 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.5 | -67.4 | -19.6 | 0 | 0 | 0 | 110.8 | Q418 Q424 H425 E426 | Q418-D422 WeakPolarHBondContact O-CB 3.43Å; Q418-D422 PolarHBondContact O-N 3.49Å; D422-Q424 PolarHBondContact O-N 3.34Å; D422-H425 PolarHBondContact O-N 3.17Å; D422-E426 WeakPolarHBondContact O-CB 3.47Å; D422-E426 WeakPolarHBondContact O-CG 3.29Å; D422-E426 PolarHBondContact O-N 3.01Å |
| 423 | K | 90 | Very high | 87.4 | Confident | 91 Ų | 91 | 110.7 Ų | 110.7 | 40% | 0.396 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 175.7 | -74.7 | -72.3 | 161 | -148.2 | 0 | 113.1 | F419 L420 A421 E426 L427 | F419-K423 HydrophobicContact CD1-CG 4.25Å; F419-K423 HydrophobicContact CE1-CG 3.89Å; F419-K423 HydrophobicContact CE2-CG 4.34Å; F419-K423 HydrophobicContact CZ-CD 4.28Å; F419-K423 HydrophobicContact CZ-CG 3.94Å; F419-K423 WeakPolarHBondContact O-CB 3.41Å; F419-K423 WeakPolarHBondContact O-CG 3.5Å; F419-K423 PolarHBondContact O-N 3.32Å; L420-K423 PolarHBondContact O-N 3.32Å; A421-K423 PolarHBondContact O-N 3.05Å; K423-E426 IonicContact NZ-OE1 3.85Å; K423-E426 IonicContact NZ-OE2 3.66Å; K423-E426 PolarHBondContact NZ-OE2 3.24Å; K423-L427 WeakPolarHBondContact O-CB 3.31Å; K423-L427 PolarHBondContact O-N 2.99Å; K423-L427 VanDerWaalsContact O-N 3.07Å |
| 424 | Q | 88.1 | Confident | 87.7 | Confident | 123 Ų | 123 | 109.6 Ų | 109.6 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.4 | -45.7 | 174 | -75.9 | 172.6 | -2.6 | 0 | 0 | 110.8 | L420 A421 D422 L427 E428 | L420-Q424 WeakPolarHBondContact O-CB 3.4Å; L420-Q424 VanDerWaalsContact O-CG 3.29Å; L420-Q424 WeakPolarHBondContact O-CG 3.45Å; L420-Q424 PolarHBondContact O-N 3.24Å; A421-Q424 PolarHBondContact O-N 3.48Å; D422-Q424 PolarHBondContact O-N 3.34Å; Q424-L427 PolarHBondContact O-N 3.47Å; Q424-E428 WeakPolarHBondContact O-CG 3.42Å; Q424-E428 PolarHBondContact O-N 3.11Å |
| 425 | H | 87.6 | Confident | 87.8 | Confident | 110 Ų | 110 | 112.8 Ų | 112.8 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 174.5 | -91.5 | -55.7 | 0 | 0 | 0 | 112.5 | A421 D422 L427 E428 E429 | A421-H425 WeakPolarHBondContact O-CB 3.09Å; A421-H425 PolarHBondContact O-N 3.3Å; D422-H425 PolarHBondContact O-N 3.17Å; H425-L427 VanDerWaalsContact C-N 3.29Å; H425-L427 PolarHBondContact O-N 3Å; H425-E428 PolarHBondContact O-N 3.14Å; H425-E429 WeakPolarHBondContact O-CB 3.44Å; H425-E429 WeakPolarHBondContact O-CG 3.48Å; H425-E429 PolarHBondContact O-N 3.38Å |
| 426 | E | 90.3 | Very high | 88 | Confident | 100 Ų | 100 | 110.9 Ų | 110.9 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 175.2 | -77.5 | 177.4 | -178.3 | 0 | 0 | 111.8 | D422 K423 W430 | D422-E426 WeakPolarHBondContact O-CB 3.47Å; D422-E426 WeakPolarHBondContact O-CG 3.29Å; D422-E426 PolarHBondContact O-N 3.01Å; K423-E426 IonicContact NZ-OE1 3.85Å; K423-E426 IonicContact NZ-OE2 3.66Å; K423-E426 PolarHBondContact NZ-OE2 3.24Å; E426-W430 VanDerWaalsContact O-CB 3.27Å; E426-W430 WeakPolarHBondContact O-CB 3.45Å; E426-W430 PolarHBondContact O-N 3.34Å |
| 427 | L | 91.5 | Very high | 88.1 | Confident | 101 Ų | 101 | 107.7 Ų | 107.7 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 179.7 | -163.9 | 112.6 | 0 | 0 | 0 | 111.6 | K423 Q424 H425 W430 Q431 | K423-L427 WeakPolarHBondContact O-CB 3.31Å; K423-L427 PolarHBondContact O-N 2.99Å; K423-L427 VanDerWaalsContact O-N 3.07Å; Q424-L427 PolarHBondContact O-N 3.47Å; H425-L427 VanDerWaalsContact C-N 3.29Å; H425-L427 PolarHBondContact O-N 3Å; L427-W430 PolarHBondContact O-N 3.39Å; L427-Q431 VanDerWaalsContact O-CG 3.32Å; L427-Q431 WeakPolarHBondContact O-CG 3.48Å; L427-Q431 PolarHBondContact O-N 3.24Å |
| 428 | E | 90.6 | Very high | 88.2 | Confident | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 175.6 | -73.2 | 178.2 | -179.1 | 0 | 0 | 111.9 | Q424 H425 W430 Q431 L432 | Q424-E428 WeakPolarHBondContact O-CG 3.42Å; Q424-E428 PolarHBondContact O-N 3.11Å; H425-E428 PolarHBondContact O-N 3.14Å; E428-W430 VanDerWaalsContact C-N 3.34Å; E428-W430 PolarHBondContact O-N 3.35Å; E428-Q431 PolarHBondContact O-N 3.46Å; E428-L432 WeakPolarHBondContact O-CB 3.48Å; E428-L432 PolarHBondContact O-N 2.92Å |
| 429 | E | 89.6 | Confident | 88.2 | Confident | 117 Ų | 117 | 104.6 Ų | 104.6 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.4 | -75.3 | -171.3 | 167.2 | 0 | 0 | 111.4 | H425 L432 Q433 | H425-E429 WeakPolarHBondContact O-CB 3.44Å; H425-E429 WeakPolarHBondContact O-CG 3.48Å; H425-E429 PolarHBondContact O-N 3.38Å; E429-L432 PolarHBondContact O-N 3.16Å; E429-Q433 WeakPolarHBondContact O-CB 3.4Å; E429-Q433 VanDerWaalsContact O-CG 3.28Å; E429-Q433 WeakPolarHBondContact O-CG 3.4Å; E429-Q433 PolarHBondContact O-N 2.91Å |
| 430 | W | 88.1 | Confident | 88.3 | Confident | 148 Ų | 148 | 102.4 Ų | 102.4 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 176.3 | -178.2 | 83.4 | 0 | 0 | 0 | 111.6 | E426 L427 E428 L432 Q433 Q434 | E426-W430 VanDerWaalsContact O-CB 3.27Å; E426-W430 WeakPolarHBondContact O-CB 3.45Å; E426-W430 PolarHBondContact O-N 3.34Å; L427-W430 PolarHBondContact O-N 3.39Å; E428-W430 VanDerWaalsContact C-N 3.34Å; E428-W430 PolarHBondContact O-N 3.35Å; W430-L432 VanDerWaalsContact C-N 3.33Å; W430-L432 PolarHBondContact O-N 3.3Å; W430-Q433 PolarHBondContact O-N 2.95Å; W430-Q434 HydrophobicContact CD2-CG 4.02Å; W430-Q434 HydrophobicContact CE3-CG 4.21Å; W430-Q434 HydrophobicContact CH2-CG 3.96Å; W430-Q434 HydrophobicContact CZ2-CG 3.75Å; W430-Q434 HydrophobicContact CZ3-CG 4.18Å; W430-Q434 WeakPolarHBondContact O-CG 3.47Å; W430-Q434 PolarHBondContact O-N 3.42Å |
| 431 | Q | 89.9 | Confident | 88.3 | Confident | 80 Ų | 80 | 102 Ų | 102 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.6 | -74.3 | -178.5 | 12.8 | 0 | 0 | 112.1 | L427 E428 Q434 R435 | L427-Q431 VanDerWaalsContact O-CG 3.32Å; L427-Q431 WeakPolarHBondContact O-CG 3.48Å; L427-Q431 PolarHBondContact O-N 3.24Å; E428-Q431 PolarHBondContact O-N 3.46Å; Q431-Q434 PolarHBondContact O-N 3.49Å; Q431-R435 WeakPolarHBondContact O-CG 3.4Å; Q431-R435 PolarHBondContact O-N 3.03Å |
| 432 | L | 88 | Confident | 88.3 | Confident | 83 Ų | 83 | 102.5 Ų | 102.5 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.9 | -174.6 | 64.8 | 0 | 0 | 0 | 111.4 | E428 E429 W430 R435 R436 | E428-L432 WeakPolarHBondContact O-CB 3.48Å; E428-L432 PolarHBondContact O-N 2.92Å; E429-L432 PolarHBondContact O-N 3.16Å; W430-L432 VanDerWaalsContact C-N 3.33Å; W430-L432 PolarHBondContact O-N 3.3Å; L432-R435 PolarHBondContact O-N 3.37Å; L432-R436 WeakPolarHBondContact O-CB 3.44Å; L432-R436 VanDerWaalsContact O-CG 3.3Å; L432-R436 WeakPolarHBondContact O-CG 3.4Å; L432-R436 PolarHBondContact O-N 2.89Å |
| 433 | Q | 86.5 | Confident | 88.3 | Confident | 96 Ų | 96 | 99 Ų | 99 | 45% | 0.449 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.8 | -73.6 | 175.8 | 10.7 | 0 | 0 | 111.4 | E429 W430 R435 R436 Q437 | E429-Q433 WeakPolarHBondContact O-CB 3.4Å; E429-Q433 VanDerWaalsContact O-CG 3.28Å; E429-Q433 WeakPolarHBondContact O-CG 3.4Å; E429-Q433 PolarHBondContact O-N 2.91Å; W430-Q433 PolarHBondContact O-N 2.95Å; Q433-R435 PolarHBondContact O-N 3.17Å; Q433-R436 PolarHBondContact O-N 3.47Å; Q433-Q437 WeakPolarHBondContact O-CB 3.39Å; Q433-Q437 WeakPolarHBondContact O-CG 3.39Å; Q433-Q437 PolarHBondContact O-N 3.01Å |
| 434 | Q | 88.8 | Confident | 88.2 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 38% | 0.379 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.1 | -73.1 | -57.3 | -56.9 | 0 | 0 | 111.9 | W430 Q431 Q437 G438 | W430-Q434 HydrophobicContact CD2-CG 4.02Å; W430-Q434 HydrophobicContact CE3-CG 4.21Å; W430-Q434 HydrophobicContact CH2-CG 3.96Å; W430-Q434 HydrophobicContact CZ2-CG 3.75Å; W430-Q434 HydrophobicContact CZ3-CG 4.18Å; W430-Q434 WeakPolarHBondContact O-CG 3.47Å; W430-Q434 PolarHBondContact O-N 3.42Å; Q431-Q434 PolarHBondContact O-N 3.49Å; Q434-Q437 PolarHBondContact O-N 3.4Å; Q434-G438 PolarHBondContact O-N 2.97Å |
| 435 | R | 87.6 | Confident | 88.2 | Confident | 164 Ų | 164 | 92.6 Ų | 92.6 | 62% | 0.619 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 174.2 | -71.4 | 179.6 | -170 | -178.2 | 6.4 | 111.5 | Q431 L432 Q433 Q437 G438 F439 | Q431-R435 WeakPolarHBondContact O-CG 3.4Å; Q431-R435 PolarHBondContact O-N 3.03Å; L432-R435 PolarHBondContact O-N 3.37Å; Q433-R435 PolarHBondContact O-N 3.17Å; R435-Q437 PolarHBondContact O-N 3.1Å; R435-G438 PolarHBondContact O-N 2.74Å; R435-F439 HydrophobicContact CB-CE2 4.38Å; R435-F439 WeakPolarHBondContact O-CD2 3.37Å; R435-F439 PolarHBondContact O-N 3.35Å |
| 436 | R | 84.6 | Confident | 88.3 | Confident | 152 Ų | 152 | 92 Ų | 92 | 57% | 0.574 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 176.9 | -73.7 | 174.8 | -178.6 | -179.2 | 2.4 | 111.9 | L432 Q433 G438 F439 I440 | L432-R436 WeakPolarHBondContact O-CB 3.44Å; L432-R436 VanDerWaalsContact O-CG 3.3Å; L432-R436 WeakPolarHBondContact O-CG 3.4Å; L432-R436 PolarHBondContact O-N 2.89Å; Q433-R436 PolarHBondContact O-N 3.47Å; R436-G438 VanDerWaalsContact C-N 3.35Å; R436-F439 PolarHBondContact O-N 3.44Å; R436-I440 VanDerWaalsContact O-CG1 3.32Å; R436-I440 WeakPolarHBondContact O-CG1 3.38Å; R436-I440 PolarHBondContact O-N 3.5Å |
| 437 | Q | 86 | Confident | 88.1 | Confident | 93 Ų | 93 | 87.5 Ų | 87.5 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175 | -73.5 | 179.5 | 2.2 | 0 | 0 | 111.3 | Q433 Q434 R435 F439 I440 N441 | Q433-Q437 WeakPolarHBondContact O-CB 3.39Å; Q433-Q437 WeakPolarHBondContact O-CG 3.39Å; Q433-Q437 PolarHBondContact O-N 3.01Å; Q434-Q437 PolarHBondContact O-N 3.4Å; R435-Q437 PolarHBondContact O-N 3.1Å; Q437-F439 PolarHBondContact O-N 3.36Å; Q437-I440 PolarHBondContact O-N 3.17Å; Q437-N441 WeakPolarHBondContact O-CB 3.44Å; Q437-N441 PolarHBondContact O-N 2.94Å; Q437-N441 PolarHBondContact O-ND2 3.37Å; Q437-N441 PolarHBondContact O-OD1 3.35Å |
| 438 | G | 88.5 | Confident | 88 | Confident | 38 Ų | 38 | 83.1 Ų | 83.1 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q434 R435 R436 N441 A442 | Q434-G438 PolarHBondContact O-N 2.97Å; R435-G438 PolarHBondContact O-N 2.74Å; R436-G438 VanDerWaalsContact C-N 3.35Å; G438-N441 PolarHBondContact O-N 3.43Å; G438-A442 PolarHBondContact O-N 3.5Å |
| 439 | F | 84.7 | Confident | 87.8 | Confident | 146 Ų | 146 | 79.9 Ų | 79.9 | 64% | 0.64 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 174.5 | -72.8 | -62.3 | 0 | 0 | 0 | 112.4 | R435 R436 Q437 N441 A442 I443 | R435-F439 HydrophobicContact CB-CE2 4.38Å; R435-F439 WeakPolarHBondContact O-CD2 3.37Å; R435-F439 PolarHBondContact O-N 3.35Å; R436-F439 PolarHBondContact O-N 3.44Å; Q437-F439 PolarHBondContact O-N 3.36Å; F439-N441 VanDerWaalsContact C-N 3.34Å; F439-N441 PolarHBondContact O-N 2.99Å; F439-A442 PolarHBondContact O-N 3.47Å; F439-I443 WeakPolarHBondContact O-CG1 3.38Å; F439-I443 PolarHBondContact O-N 2.95Å |
| 440 | I | 87.5 | Confident | 87.7 | Confident | 77 Ų | 77 | 79 Ų | 79 | 40% | 0.395 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.5 | -68.1 | 165.8 | 0 | 0 | 0 | 110.5 | V114 R436 Q437 A442 I443 I444 | V114-I440 HydrophobicContact CG1-CG2 4.46Å; V114-I440 HydrophobicContact CG2-CG2 4.42Å; R436-I440 VanDerWaalsContact O-CG1 3.32Å; R436-I440 WeakPolarHBondContact O-CG1 3.38Å; R436-I440 PolarHBondContact O-N 3.5Å; Q437-I440 PolarHBondContact O-N 3.17Å; I440-A442 VanDerWaalsContact C-N 3.34Å; I440-A442 PolarHBondContact O-N 3.35Å; I440-I443 PolarHBondContact O-N 2.98Å; I440-I444 HydrophobicContact CG2-CD1 3.83Å; I440-I444 HydrophobicContact CG2-CG1 4.35Å; I440-I444 VanDerWaalsContact O-CG1 3.31Å; I440-I444 WeakPolarHBondContact O-CG1 3.48Å; I440-I444 PolarHBondContact O-N 3.47Å |
| 441 | N | 87.9 | Confident | 87.7 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 179.1 | -68.2 | -13.8 | 0 | 0 | 0 | 112.1 | Q437 G438 F439 I444 E445 | Q437-N441 WeakPolarHBondContact O-CB 3.44Å; Q437-N441 PolarHBondContact O-N 2.94Å; Q437-N441 PolarHBondContact O-ND2 3.37Å; Q437-N441 PolarHBondContact O-OD1 3.35Å; G438-N441 PolarHBondContact O-N 3.43Å; F439-N441 VanDerWaalsContact C-N 3.34Å; F439-N441 PolarHBondContact O-N 2.99Å; N441-I444 PolarHBondContact O-N 2.97Å; N441-E445 PolarHBondContact O-N 3.12Å |
| 442 | A | 89.3 | Confident | 87.6 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G438 F439 I440 I444 E445 E446 | G438-A442 PolarHBondContact O-N 3.5Å; F439-A442 PolarHBondContact O-N 3.47Å; I440-A442 VanDerWaalsContact C-N 3.34Å; I440-A442 PolarHBondContact O-N 3.35Å; A442-I444 VanDerWaalsContact C-N 3.33Å; A442-I444 PolarHBondContact O-N 3.48Å; A442-E445 PolarHBondContact O-N 2.92Å; A442-E446 WeakPolarHBondContact O-CG 3.36Å; A442-E446 PolarHBondContact O-N 3.06Å |
| 443 | I | 88.6 | Confident | 87.5 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 175.2 | -65 | 162.3 | 0 | 0 | 0 | 110.8 | M110 R111 V114 F439 I440 E445 E446 E447 | M110-I443 HydrophobicContact CE-CD1 3.56Å; M110-I443 HydrophobicContact SD-CD1 3.99Å; R111-I443 HydrophobicContact CG-CG2 3.96Å; V114-I443 HydrophobicContact CB-CG2 4.36Å; V114-I443 HydrophobicContact CG1-CG2 4.12Å; V114-I443 HydrophobicContact CG2-CG2 4.38Å; F439-I443 WeakPolarHBondContact O-CG1 3.38Å; F439-I443 PolarHBondContact O-N 2.95Å; I440-I443 PolarHBondContact O-N 2.98Å; I443-E445 PolarHBondContact O-N 2.93Å; I443-E446 PolarHBondContact O-N 2.92Å; I443-E447 HydrophobicContact CG2-CG 4.16Å; I443-E447 WeakPolarHBondContact O-CB 3.39Å; I443-E447 VanDerWaalsContact O-CG 3.27Å; I443-E447 WeakPolarHBondContact O-CG 3.42Å; I443-E447 PolarHBondContact O-N 3.21Å |
| 444 | I | 89.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 177 | -71.5 | 167.9 | 0 | 0 | 0 | 110.6 | V114 L121 I440 N441 A442 E447 R448 | V114-I444 HydrophobicContact CG1-CD1 4.26Å; V114-I444 HydrophobicContact CG1-CG1 3.44Å; V114-I444 VanDerWaalsContact CG1-CG1 3.44Å; L121-I444 HydrophobicContact CD2-CG2 4.31Å; L121-I444 HydrophobicContact CG-CG2 4.21Å; I440-I444 HydrophobicContact CG2-CD1 3.83Å; I440-I444 HydrophobicContact CG2-CG1 4.35Å; I440-I444 VanDerWaalsContact O-CG1 3.31Å; I440-I444 WeakPolarHBondContact O-CG1 3.48Å; I440-I444 PolarHBondContact O-N 3.47Å; N441-I444 PolarHBondContact O-N 2.97Å; A442-I444 VanDerWaalsContact C-N 3.33Å; A442-I444 PolarHBondContact O-N 3.48Å; I444-E447 PolarHBondContact O-N 3.44Å; I444-R448 WeakPolarHBondContact O-CB 3.43Å; I444-R448 PolarHBondContact O-N 2.96Å |
| 445 | E | 87.2 | Confident | 87.4 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 179.3 | -72.2 | -64.6 | 150.1 | 0 | 0 | 112.5 | N441 A442 I443 R448 L449 K469 | N441-E445 PolarHBondContact O-N 3.12Å; A442-E445 PolarHBondContact O-N 2.92Å; I443-E445 PolarHBondContact O-N 2.93Å; E445-R448 WeakPolarHBondContact O-CB 3.35Å; E445-R448 PolarHBondContact O-N 3.07Å; E445-R448 WeakPolarHBondContact OE2-CD 3.47Å; E445-R448 IonicContact OE2-CZ 3.8Å; E445-R448 IonicContact OE2-NH1 2.76Å; E445-R448 PolarHBondContact OE2-NH1 3.07Å; E445-L449 WeakPolarHBondContact O-CG 3.37Å; E445-L449 PolarHBondContact O-N 3.36Å; E445-K469 IonicContact OE1-NZ 3.53Å; E445-K469 PolarHBondContact OE1-NZ 3.13Å |
| 446 | E | 88.6 | Confident | 87.2 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 171.7 | -75.4 | 178.3 | -172.8 | 0 | 0 | 112 | R111 A442 I443 R448 L449 K450 | R111-E446 IonicContact CZ-OE2 2.82Å; R111-E446 IonicContact NH1-OE2 3.74Å; R111-E446 PolarHBondContact NH1-OE2 3.46Å; R111-E446 IonicContact NH2-OE2 3.99Å; R111-E446 PolarHBondContact NH2-OE2 3.47Å; A442-E446 WeakPolarHBondContact O-CG 3.36Å; A442-E446 PolarHBondContact O-N 3.06Å; I443-E446 PolarHBondContact O-N 2.92Å; E446-R448 VanDerWaalsContact C-N 3.32Å; E446-R448 PolarHBondContact O-N 3.33Å; E446-L449 PolarHBondContact O-N 2.86Å; E446-K450 WeakPolarHBondContact O-CB 3.25Å; E446-K450 PolarHBondContact O-N 3.1Å |
| 447 | E | 87.8 | Confident | 87 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 179.7 | -70.6 | -59.5 | 143.3 | 0 | 0 | 111.6 | R111 R115 L121 I443 I444 K450 L451 | R111-E447 VanDerWaalsContact CD-OE1 3.27Å; R111-E447 WeakPolarHBondContact CD-OE1 3.49Å; R111-E447 IonicContact CZ-OE1 3.85Å; R111-E447 IonicContact NE-OE1 3.25Å; R111-E447 IonicContact NH1-OE1 3.32Å; R111-E447 PolarHBondContact NH1-OE1 2.85Å; R115-E447 IonicContact CZ-OE2 2.79Å; R115-E447 IonicContact NE-OE2 2.82Å; R115-E447 PolarHBondContact NE-OE2 3.36Å; R115-E447 IonicContact NH2-OE1 2.82Å; R115-E447 IonicContact NH2-OE2 3.92Å; R115-E447 PolarHBondContact NH2-OE2 2.86Å; L121-E447 HydrophobicContact CD1-CB 3.8Å; L121-E447 HydrophobicContact CD2-CB 4.26Å; I443-E447 HydrophobicContact CG2-CG 4.16Å; I443-E447 WeakPolarHBondContact O-CB 3.39Å; I443-E447 VanDerWaalsContact O-CG 3.27Å; I443-E447 WeakPolarHBondContact O-CG 3.42Å; I443-E447 PolarHBondContact O-N 3.21Å; I444-E447 PolarHBondContact O-N 3.44Å; E447-K450 PolarHBondContact O-N 3.44Å; E447-L451 WeakPolarHBondContact O-CB 3.35Å; E447-L451 WeakPolarHBondContact O-CG 3.48Å; E447-L451 PolarHBondContact O-N 3.17Å |
| 448 | R | 88.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 58 Ų | 58 | 4% | 0.038 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 173.7 | -176.6 | -170.9 | 164.2 | -110.3 | -17.5 | 110.8 | L121 L124 I444 E445 E446 K450 L451 L452 V467 D473 | L121-R448 HydrophobicContact CD2-CB 3.82Å; L124-R448 HydrophobicContact CD2-CB 4.48Å; L124-R448 HydrophobicContact CD2-CG 3.78Å; I444-R448 WeakPolarHBondContact O-CB 3.43Å; I444-R448 PolarHBondContact O-N 2.96Å; E445-R448 WeakPolarHBondContact O-CB 3.35Å; E445-R448 PolarHBondContact O-N 3.07Å; E445-R448 WeakPolarHBondContact OE2-CD 3.47Å; E445-R448 IonicContact OE2-CZ 3.8Å; E445-R448 IonicContact OE2-NH1 2.76Å; E445-R448 PolarHBondContact OE2-NH1 3.07Å; E446-R448 VanDerWaalsContact C-N 3.32Å; E446-R448 PolarHBondContact O-N 3.33Å; R448-K450 VanDerWaalsContact C-N 3.32Å; R448-K450 PolarHBondContact O-N 2.94Å; R448-L451 PolarHBondContact O-N 3.1Å; R448-L452 HydrophobicContact CG-CD1 4.4Å; R448-L452 VanDerWaalsContact O-CG 3.31Å; R448-L452 WeakPolarHBondContact O-CG 3.48Å; R448-L452 PolarHBondContact O-N 3.31Å; R448-V467 PolarHBondContact NH2-O 3.41Å; R448-D473 IonicContact CZ-OD2 2.86Å; R448-D473 IonicContact NH1-OD1 3.87Å; R448-D473 PolarHBondContact NH1-OD1 3.36Å; R448-D473 IonicContact NH1-OD2 2.7Å; R448-D473 PolarHBondContact NH1-OD2 3.08Å; R448-D473 VanDerWaalsContact NH1-OD2 3.16Å; R448-D473 IonicContact NH2-OD2 3.13Å; R448-D473 PolarHBondContact NH2-OD2 3.36Å |
| 449 | L | 86.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 178.2 | -72.6 | 173.6 | 0 | 0 | 0 | 112 | E445 E446 L452 K453 L476 | E445-L449 WeakPolarHBondContact O-CG 3.37Å; E445-L449 PolarHBondContact O-N 3.36Å; E446-L449 PolarHBondContact O-N 2.86Å; L449-L452 PolarHBondContact O-N 3.14Å; L449-K453 WeakPolarHBondContact O-CG 3.48Å; L449-K453 PolarHBondContact O-N 3.36Å; L449-L476 HydrophobicContact CD2-CD1 4.08Å |
| 450 | K | 88.4 | Confident | 86.7 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 175.6 | -172.6 | 175.6 | 178.7 | 176.5 | 0 | 111.6 | E446 E447 R448 L452 K453 E454 | E446-K450 WeakPolarHBondContact O-CB 3.25Å; E446-K450 PolarHBondContact O-N 3.1Å; E447-K450 PolarHBondContact O-N 3.44Å; R448-K450 VanDerWaalsContact C-N 3.32Å; R448-K450 PolarHBondContact O-N 2.94Å; K450-L452 VanDerWaalsContact C-N 3.3Å; K450-L452 PolarHBondContact O-N 3.43Å; K450-K453 PolarHBondContact O-N 3.19Å; K450-E454 WeakPolarHBondContact CE-OE1 3.24Å; K450-E454 WeakPolarHBondContact CG-OE1 3.39Å; K450-E454 WeakPolarHBondContact O-CG 3.45Å; K450-E454 PolarHBondContact O-N 3.45Å |
| 451 | L | 87.4 | Confident | 86.5 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 175.1 | -75.9 | 171.7 | 0 | 0 | 0 | 111.8 | L121 L124 E125 L128 E447 R448 H455 | L121-L451 HydrophobicContact CD2-CD1 4.2Å; L124-L451 HydrophobicContact CD2-CB 4.12Å; L124-L451 HydrophobicContact CD2-CD1 4.28Å; E125-L451 HydrophobicContact CG-CD1 4.31Å; L128-L451 HydrophobicContact CD1-CB 4.4Å; E447-L451 WeakPolarHBondContact O-CB 3.35Å; E447-L451 WeakPolarHBondContact O-CG 3.48Å; E447-L451 PolarHBondContact O-N 3.17Å; R448-L451 PolarHBondContact O-N 3.1Å; L451-H455 WeakPolarHBondContact O-CB 3.26Å; L451-H455 PolarHBondContact O-CD2 3.3Å; L451-H455 PolarHBondContact O-N 3.45Å; L451-H455 VanDerWaalsContact O-N 3.12Å |
| 452 | L | 86.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 176.1 | -72.3 | 173.8 | 0 | 0 | 0 | 111.6 | L124 R448 L449 K450 E454 H455 A456 V467 F468 L477 | L124-L452 HydrophobicContact CD1-CD2 3.96Å; L124-L452 HydrophobicContact CD2-CD2 4.4Å; L124-L452 HydrophobicContact CD2-CG 4.25Å; R448-L452 HydrophobicContact CG-CD1 4.4Å; R448-L452 VanDerWaalsContact O-CG 3.31Å; R448-L452 WeakPolarHBondContact O-CG 3.48Å; R448-L452 PolarHBondContact O-N 3.31Å; L449-L452 PolarHBondContact O-N 3.14Å; K450-L452 VanDerWaalsContact C-N 3.3Å; K450-L452 PolarHBondContact O-N 3.43Å; L452-E454 PolarHBondContact O-N 2.8Å; L452-H455 PolarHBondContact O-N 3.43Å; L452-A456 WeakPolarHBondContact O-CA 3.42Å; L452-A456 WeakPolarHBondContact O-CB 3.5Å; L452-A456 PolarHBondContact O-N 2.92Å; L452-V467 HydrophobicContact CD2-CG1 3.33Å; L452-F468 HydrophobicContact CD2-CE1 4.39Å; L452-L477 HydrophobicContact CB-CD2 4.42Å |
| 453 | K | 85.9 | Confident | 86.1 | Confident | 112 Ų | 112 | 47.1 Ų | 47.1 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 179.3 | -75.3 | 177.4 | 179.5 | -177.2 | 0 | 112.8 | L449 K450 L477 | L449-K453 WeakPolarHBondContact O-CG 3.48Å; L449-K453 PolarHBondContact O-N 3.36Å; K450-K453 PolarHBondContact O-N 3.19Å; K453-L477 HydrophobicContact CB-CD2 4.47Å; K453-L477 HydrophobicContact CG-CD2 3.9Å |
| 454 | E | 87.1 | Confident | 85.8 | Confident | 100 Ų | 100 | 48.1 Ų | 48.1 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -38.9 | -179.3 | -72.6 | 174.7 | -173.3 | 0 | 0 | 112.3 | K450 L452 | K450-E454 WeakPolarHBondContact CE-OE1 3.24Å; K450-E454 WeakPolarHBondContact CG-OE1 3.39Å; K450-E454 WeakPolarHBondContact O-CG 3.45Å; K450-E454 PolarHBondContact O-N 3.45Å; L452-E454 PolarHBondContact O-N 2.8Å |
| 455 | H | 87.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -103 | -20.2 | -172.6 | -63.7 | -62 | 0 | 0 | 0 | 114.8 | L128 Y132 L451 L452 N458 L459 | L128-H455 HydrophobicContact CD1-CB 4.17Å; L128-H455 HydrophobicContact CD2-CB 3.96Å; Y132-H455 HydrophobicContact CE2-CB 4.37Å; Y132-H455 AromaticContact CE2-ND1 3.67Å; Y132-H455 AromaticContact CZ-ND1 3.84Å; Y132-H455 PolarHBondContact OH-ND1 3.13Å; Y132-H455 VanDerWaalsContact OH-ND1 3.15Å; L451-H455 WeakPolarHBondContact O-CB 3.26Å; L451-H455 PolarHBondContact O-CD2 3.3Å; L451-H455 PolarHBondContact O-N 3.45Å; L451-H455 VanDerWaalsContact O-N 3.12Å; L452-H455 PolarHBondContact O-N 3.43Å; H455-N458 PolarHBondContact O-N 3.34Å; H455-L459 HydrophobicContact CB-CD1 4.16Å; H455-L459 WeakPolarHBondContact O-CB 3.27Å; H455-L459 WeakPolarHBondContact O-CG 3.24Å; H455-L459 PolarHBondContact O-N 2.98Å |
| 456 | A | 82 | Confident | 84.9 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.1 | -54.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L452 N458 L459 L460 L477 F481 | L452-A456 WeakPolarHBondContact O-CA 3.42Å; L452-A456 WeakPolarHBondContact O-CB 3.5Å; L452-A456 PolarHBondContact O-N 2.92Å; A456-N458 PolarHBondContact O-N 3.29Å; A456-L459 CarbonylContact O-C 3.54Å; A456-L459 WeakPolarHBondContact O-CA 3.26Å; A456-L459 PolarHBondContact O-N 3.49Å; A456-L460 PolarHBondContact O-N 3.22Å; A456-L460 VanDerWaalsContact O-N 3.09Å; A456-L477 HydrophobicContact CB-CD1 3.99Å; A456-L477 HydrophobicContact CB-CD2 3.78Å; A456-L477 HydrophobicContact CB-CG 4.39Å; A456-F481 HydrophobicContact CB-CD1 4.5Å; A456-F481 HydrophobicContact CB-CE1 3.82Å; A456-F481 HydrophobicContact CB-CE2 4.39Å; A456-F481 HydrophobicContact CB-CZ 3.83Å; A456-F481 WeakPolarHBondContact O-CE1 3.41Å; A456-F481 WeakPolarHBondContact O-CZ 3.41Å |
| 457 | T | 81.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 51 Ų | 51 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -49.4 | -45.1 | -178.2 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | L459 | T457-L459 VanDerWaalsContact C-N 3.35Å; T457-L459 PolarHBondContact O-N 3.36Å |
| 458 | N | 84.3 | Confident | 84.3 | Confident | 87 Ų | 87 | 53 Ų | 53 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -73.3 | -24.4 | 179.5 | -69.2 | -26.5 | 0 | 0 | 0 | 113.8 | Y132 K135 H455 A456 | Y132-N458 HydrophobicContact CE1-CB 4.15Å; Y132-N458 WeakPolarHBondContact OH-CB 3.49Å; K135-N458 WeakPolarHBondContact CD-O 3.49Å; K135-N458 PolarHBondContact NZ-O 3.39Å; H455-N458 PolarHBondContact O-N 3.34Å; A456-N458 PolarHBondContact O-N 3.29Å |
| 459 | L | 83.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -108.2 | 19.2 | -175 | -66.7 | 172.8 | 0 | 0 | 0 | 113.2 | L128 A131 Y132 H455 A456 T457 G461 Y462 L463 | L128-L459 HydrophobicContact CB-CD1 4.46Å; L128-L459 HydrophobicContact CD2-CD1 3.77Å; A131-L459 HydrophobicContact CB-CD1 3.63Å; A131-L459 HydrophobicContact CB-CD2 3.75Å; A131-L459 HydrophobicContact CB-CG 4.18Å; Y132-L459 HydrophobicContact CD1-CD2 3.65Å; Y132-L459 HydrophobicContact CD1-CG 4.38Å; Y132-L459 HydrophobicContact CD2-CD1 3.89Å; Y132-L459 HydrophobicContact CD2-CD2 3.92Å; Y132-L459 HydrophobicContact CD2-CG 4.23Å; Y132-L459 HydrophobicContact CE1-CD2 3.78Å; Y132-L459 HydrophobicContact CE1-CG 4.05Å; Y132-L459 HydrophobicContact CE2-CD1 3.54Å; Y132-L459 HydrophobicContact CE2-CD2 4.03Å; Y132-L459 HydrophobicContact CE2-CG 3.87Å; Y132-L459 HydrophobicContact CG-CD2 3.7Å; Y132-L459 HydrophobicContact CG-CG 4.45Å; H455-L459 HydrophobicContact CB-CD1 4.16Å; H455-L459 WeakPolarHBondContact O-CB 3.27Å; H455-L459 WeakPolarHBondContact O-CG 3.24Å; H455-L459 PolarHBondContact O-N 2.98Å; A456-L459 CarbonylContact O-C 3.54Å; A456-L459 WeakPolarHBondContact O-CA 3.26Å; A456-L459 PolarHBondContact O-N 3.49Å; T457-L459 VanDerWaalsContact C-N 3.35Å; T457-L459 PolarHBondContact O-N 3.36Å; L459-G461 PolarHBondContact O-N 3.14Å; L459-Y462 PolarHBondContact O-N 3Å; L459-L463 HydrophobicContact CB-CD1 4.14Å; L459-L463 HydrophobicContact CB-CG 4.01Å; L459-L463 WeakPolarHBondContact O-CD1 3.41Å; L459-L463 PolarHBondContact O-N 2.86Å |
| 460 | L | 84.1 | Confident | 83.6 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 124.2 | 176.1 | -173.3 | 70.1 | 0 | 0 | 0 | 110.3 | A456 Y462 F481 V484 | A456-L460 PolarHBondContact O-N 3.22Å; A456-L460 VanDerWaalsContact O-N 3.09Å; L460-Y462 VanDerWaalsContact C-N 3.31Å; L460-Y462 VanDerWaalsContact O-CD2 3.25Å; L460-Y462 WeakPolarHBondContact O-CD2 3.48Å; L460-Y462 PolarHBondContact O-N 3.3Å; L460-F481 HydrophobicContact CB-CE1 4.2Å; L460-F481 HydrophobicContact CB-CZ 3.83Å; L460-F481 HydrophobicContact CD1-CD1 3.65Å; L460-F481 HydrophobicContact CD1-CD2 3.97Å; L460-F481 HydrophobicContact CD1-CE1 3.42Å; L460-F481 VanDerWaalsContact CD1-CE1 3.42Å; L460-F481 HydrophobicContact CD1-CE2 3.76Å; L460-F481 HydrophobicContact CD1-CG 3.87Å; L460-F481 HydrophobicContact CD1-CZ 3.4Å; L460-F481 VanDerWaalsContact CD1-CZ 3.4Å; L460-F481 HydrophobicContact CG-CE1 4.41Å; L460-F481 HydrophobicContact CG-CZ 4.19Å; L460-V484 HydrophobicContact CD1-CB 4.26Å; L460-V484 HydrophobicContact CD1-CG2 4.15Å; L460-V484 HydrophobicContact CD2-CG2 4.47Å; L460-V484 HydrophobicContact CG-CG2 4.4Å |
| 461 | G | 82.8 | Confident | 82.8 | Confident | 13 Ų | 13 | 65 Ų | 65 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -6.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | L459 Y485 R488 | L459-G461 PolarHBondContact O-N 3.14Å; G461-Y485 PolarHBondContact N-OH 3.32Å; G461-R488 PolarHBondContact O-NH1 3.35Å; G461-R488 PolarHBondContact O-NH2 3.47Å |
| 462 | Y | 84.9 | Confident | 82.3 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 38% | 0.376 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 3.2 | -177.9 | -61.2 | -82.2 | 0 | 0 | 0 | 114.3 | A131 K135 A138 L459 L460 | A131-Y462 VanDerWaalsContact CB-O 3.32Å; A131-Y462 WeakPolarHBondContact CB-O 3.49Å; K135-Y462 HydrophobicContact CB-CD1 4.18Å; K135-Y462 HydrophobicContact CB-CD2 4.02Å; K135-Y462 HydrophobicContact CB-CE2 4.42Å; K135-Y462 HydrophobicContact CB-CG 3.89Å; K135-Y462 HydrophobicContact CD-CD2 4.31Å; K135-Y462 HydrophobicContact CG-CD2 3.9Å; K135-Y462 HydrophobicContact CG-CE2 3.96Å; K135-Y462 HydrophobicContact CG-CG 4.29Å; A138-Y462 HydrophobicContact CB-CE1 3.57Å; L459-Y462 PolarHBondContact O-N 3Å; L460-Y462 VanDerWaalsContact C-N 3.31Å; L460-Y462 VanDerWaalsContact O-CD2 3.25Å; L460-Y462 WeakPolarHBondContact O-CD2 3.48Å; L460-Y462 PolarHBondContact O-N 3.3Å |
| 463 | L | 84.3 | Confident | 81.9 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 135.4 | 177.1 | -72.2 | 124.3 | 0 | 0 | 0 | 111.7 | L128 L459 V467 F481 Y485 | L128-L463 HydrophobicContact CD2-CD2 3.77Å; L459-L463 HydrophobicContact CB-CD1 4.14Å; L459-L463 HydrophobicContact CB-CG 4.01Å; L459-L463 WeakPolarHBondContact O-CD1 3.41Å; L459-L463 PolarHBondContact O-N 2.86Å; L463-V467 HydrophobicContact CD2-CB 4.5Å; L463-V467 HydrophobicContact CD2-CG1 3.86Å; L463-V467 HydrophobicContact CD2-CG2 4.46Å; L463-F481 HydrophobicContact CD1-CE1 3.97Å; L463-Y485 VanDerWaalsContact CB-OH 3.3Å; L463-Y485 WeakPolarHBondContact CB-OH 3.41Å; L463-Y485 HydrophobicContact CD1-CE2 4.35Å; L463-Y485 WeakPolarHBondContact CD1-OH 3.31Å; L463-Y485 PolarHBondContact N-OH 3.45Å; L463-Y485 VanDerWaalsContact N-OH 3.15Å |
| 464 | P | 82.4 | Confident | 81.4 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 158.3 | 173.7 | -21.7 | 31.5 | 0 | 0 | 0 | 113.4 | K127 V467 | K127-P464 HydrophobicContact CB-CG 4.23Å; K127-P464 WeakPolarHBondContact O-CG 3.49Å; P464-V467 HydrophobicContact CB-CG2 4.39Å; P464-V467 VanDerWaalsContact O-CG2 3.25Å; P464-V467 WeakPolarHBondContact O-CG2 3.24Å |
| 465 | K | 79.3 | Confident | 81 | Confident | 177 Ų | 177 | 65.2 Ų | 65.2 | 77% | 0.77 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 144.8 | 171.3 | -63.5 | -173.7 | 176.5 | -169.1 | 0 | 110.7 | C492 | K465-C492 PolarHBondContact NZ-SG 3.25Š|
| 466 | G | 79.4 | Confident | 80.4 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 27.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K127 | K127-G466 PolarHBondContact NZ-O 2.99Š|
| 467 | V | 82 | Confident | 80 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | trans | -88.1 | -34.4 | 170.5 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L124 K127 R448 L452 L463 P464 | L124-V467 HydrophobicContact CD1-CG1 3.73Å; K127-V467 HydrophobicContact CB-CG2 4.17Å; K127-V467 HydrophobicContact CD-CG2 3.99Å; R448-V467 PolarHBondContact NH2-O 3.41Å; L452-V467 HydrophobicContact CD2-CG1 3.33Å; L463-V467 HydrophobicContact CD2-CB 4.5Å; L463-V467 HydrophobicContact CD2-CG1 3.86Å; L463-V467 HydrophobicContact CD2-CG2 4.46Å; P464-V467 HydrophobicContact CB-CG2 4.39Å; P464-V467 VanDerWaalsContact O-CG2 3.25Å; P464-V467 WeakPolarHBondContact O-CG2 3.24Å | ||
| 468 | F | 80.9 | Confident | 79.7 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 20% | 0.197 | 34% | 0.343 | C | S | . | . | trans | -89.1 | 129.8 | 173.6 | -53.3 | -60.2 | 0 | 0 | 0 | 109.8 | L452 D473 I474 L477 | L452-F468 HydrophobicContact CD2-CE1 4.39Å; F468-D473 HydrophobicContact CB-CB 4.38Å; F468-D473 HydrophobicContact CD1-CB 3.9Å; F468-I474 HydrophobicContact CB-CG1 4.27Å; F468-I474 HydrophobicContact CD1-CG1 4.21Å; F468-I474 HydrophobicContact CD2-CD1 4.23Å; F468-I474 HydrophobicContact CD2-CG1 3.94Å; F468-I474 HydrophobicContact CE2-CG1 4.37Å; F468-I474 HydrophobicContact CG-CD1 4.43Å; F468-I474 HydrophobicContact CG-CG1 3.85Å; F468-L477 HydrophobicContact CD1-CD1 4.34Å; F468-L477 HydrophobicContact CE1-CD1 3.35Å; F468-L477 HydrophobicContact CZ-CD1 3.88Å | ||
| 469 | K | 79.3 | Confident | 79.1 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -94.4 | -36 | 176.7 | -72.2 | -175.7 | -174 | 177.4 | 0 | 110.1 | E120 E445 D473 | E120-K469 IonicContact OE1-NZ 3.52Å; E120-K469 IonicContact OE2-NZ 2.73Å; E120-K469 PolarHBondContact OE2-NZ 3.45Å; E445-K469 IonicContact OE1-NZ 3.53Å; E445-K469 PolarHBondContact OE1-NZ 3.13Å; K469-D473 PolarHBondContact N-OD2 3.31Å |
| 470 | K | 80.3 | Confident | 78.5 | Confident | 132 Ų | 132 | 75.2 Ų | 75.2 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -122.2 | 152.7 | 178.8 | -61.5 | -179.8 | -178.6 | 179.3 | 0 | 110.3 | D472 D473 | K470-D472 HydrophobicContact CB-CB 4.37Å; K470-D472 PolarHBondContact O-N 3.15Å; K470-D473 PolarHBondContact N-OD2 3.1Å; K470-D473 VanDerWaalsContact O-CB 3.28Å; K470-D473 WeakPolarHBondContact O-CB 3.45Å; K470-D473 PolarHBondContact O-N 3.35Å; K470-D473 VanDerWaalsContact O-N 3.15Å |
| 471 | E | 72.8 | Confident | 78 | Confident | 166 Ų | 166 | 72.9 Ų | 72.9 | 78% | 0.776 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.9 | 171.9 | -67.4 | 176.3 | -176 | 0 | 0 | 111.2 | D473 I474 | E471-D473 PolarHBondContact O-N 3.11Å; E471-D473 VanDerWaalsContact O-N 3.1Å; E471-I474 WeakPolarHBondContact O-CB 3.43Å; E471-I474 PolarHBondContact O-N 3.09Å |
| 472 | D | 77.7 | Confident | 77.6 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.6 | -27.9 | 173.4 | -55.3 | -23.7 | 0 | 0 | 0 | 113.4 | K470 I474 D475 L476 | K470-D472 HydrophobicContact CB-CB 4.37Å; K470-D472 PolarHBondContact O-N 3.15Å; D472-I474 PolarHBondContact O-N 3.4Å; D472-D475 PolarHBondContact O-N 3Å; D472-L476 WeakPolarHBondContact O-CG 3.39Å; D472-L476 PolarHBondContact O-N 2.87Å |
| 473 | D | 77.9 | Confident | 77.2 | Confident | 9 Ų | 9 | 78.8 Ų | 78.8 | 5% | 0.048 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.6 | -30.2 | 178.6 | -62.1 | -32.3 | 0 | 0 | 0 | 111.4 | R448 F468 K469 K470 E471 L477 | R448-D473 IonicContact CZ-OD2 2.86Å; R448-D473 IonicContact NH1-OD1 3.87Å; R448-D473 PolarHBondContact NH1-OD1 3.36Å; R448-D473 IonicContact NH1-OD2 2.7Å; R448-D473 PolarHBondContact NH1-OD2 3.08Å; R448-D473 VanDerWaalsContact NH1-OD2 3.16Å; R448-D473 IonicContact NH2-OD2 3.13Å; R448-D473 PolarHBondContact NH2-OD2 3.36Å; F468-D473 HydrophobicContact CB-CB 4.38Å; F468-D473 HydrophobicContact CD1-CB 3.9Å; K469-D473 PolarHBondContact N-OD2 3.31Å; K470-D473 PolarHBondContact N-OD2 3.1Å; K470-D473 VanDerWaalsContact O-CB 3.28Å; K470-D473 WeakPolarHBondContact O-CB 3.45Å; K470-D473 PolarHBondContact O-N 3.35Å; K470-D473 VanDerWaalsContact O-N 3.15Å; E471-D473 PolarHBondContact O-N 3.11Å; E471-D473 VanDerWaalsContact O-N 3.1Å; D473-L477 WeakPolarHBondContact O-CD1 3.31Å; D473-L477 WeakPolarHBondContact O-CG 3.39Å |
| 474 | I | 75.6 | Confident | 76.8 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 21% | 0.205 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -75.1 | -36.7 | 179.6 | -58.5 | 174.8 | 0 | 0 | 0 | 109.8 | F468 E471 D472 L476 L477 R482 | F468-I474 HydrophobicContact CB-CG1 4.27Å; F468-I474 HydrophobicContact CD1-CG1 4.21Å; F468-I474 HydrophobicContact CD2-CD1 4.23Å; F468-I474 HydrophobicContact CD2-CG1 3.94Å; F468-I474 HydrophobicContact CE2-CG1 4.37Å; F468-I474 HydrophobicContact CG-CD1 4.43Å; F468-I474 HydrophobicContact CG-CG1 3.85Å; E471-I474 WeakPolarHBondContact O-CB 3.43Å; E471-I474 PolarHBondContact O-N 3.09Å; D472-I474 PolarHBondContact O-N 3.4Å; I474-L476 VanDerWaalsContact C-N 3.34Å; I474-L476 PolarHBondContact O-N 2.95Å; I474-L477 PolarHBondContact O-N 3.3Å; I474-R482 HydrophobicContact CG2-CB 4.46Å |
| 475 | D | 77.2 | Confident | 76.3 | Confident | 76 Ų | 76 | 80.1 Ų | 80.1 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -33.6 | 179.7 | -69.7 | -13.1 | 0 | 0 | 0 | 112.4 | D472 L477 G478 R482 | D472-D475 PolarHBondContact O-N 3Å; D475-L477 PolarHBondContact O-N 3.45Å; D475-G478 PolarHBondContact O-N 3.31Å; D475-R482 IonicContact OD1-CZ 2.66Å; D475-R482 IonicContact OD1-NE 3.96Å; D475-R482 PolarHBondContact OD1-NE 3.3Å; D475-R482 IonicContact OD1-NH2 2.78Å; D475-R482 PolarHBondContact OD1-NH2 2.85Å; D475-R482 IonicContact OD2-CZ 2.89Å; D475-R482 IonicContact OD2-NH2 2.71Å; D475-R482 PolarHBondContact OD2-NH2 2.74Å |
| 476 | L | 75.1 | Confident | 75.9 | Confident | 91 Ų | 91 | 76 Ų | 76 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.6 | 175.9 | -74.2 | 164.1 | 0 | 0 | 0 | 114.1 | L449 D472 I474 | L449-L476 HydrophobicContact CD2-CD1 4.08Å; D472-L476 WeakPolarHBondContact O-CG 3.39Å; D472-L476 PolarHBondContact O-N 2.87Å; I474-L476 VanDerWaalsContact C-N 3.34Å; I474-L476 PolarHBondContact O-N 2.95Å |
| 477 | L | 73.1 | Confident | 75.2 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -3.7 | -176.1 | -64.6 | 171.3 | 0 | 0 | 0 | 113.7 | L452 K453 A456 F468 D473 I474 D475 F481 | L452-L477 HydrophobicContact CB-CD2 4.42Å; K453-L477 HydrophobicContact CB-CD2 4.47Å; K453-L477 HydrophobicContact CG-CD2 3.9Å; A456-L477 HydrophobicContact CB-CD1 3.99Å; A456-L477 HydrophobicContact CB-CD2 3.78Å; A456-L477 HydrophobicContact CB-CG 4.39Å; F468-L477 HydrophobicContact CD1-CD1 4.34Å; F468-L477 HydrophobicContact CE1-CD1 3.35Å; F468-L477 HydrophobicContact CZ-CD1 3.88Å; D473-L477 WeakPolarHBondContact O-CD1 3.31Å; D473-L477 WeakPolarHBondContact O-CG 3.39Å; I474-L477 PolarHBondContact O-N 3.3Å; D475-L477 PolarHBondContact O-N 3.45Å; L477-F481 HydrophobicContact CB-CB 4.27Å; L477-F481 HydrophobicContact CB-CD2 4.17Å; L477-F481 HydrophobicContact CB-CG 4.07Å; L477-F481 WeakPolarHBondContact O-CD2 3.31Å |
| 478 | G | 76.3 | Confident | 74.2 | Confident | 35 Ų | 35 | 84.6 Ų | 84.6 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | trans | 100.6 | 165.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D475 E480 F481 R482 | D475-G478 PolarHBondContact O-N 3.31Å; G478-E480 VanDerWaalsContact C-N 3.29Å; G478-E480 PolarHBondContact O-N 3.45Å; G478-F481 PolarHBondContact O-N 2.81Å; G478-R482 PolarHBondContact O-N 3.13Å | ||
| 479 | E | 72.4 | Confident | 73.2 | Confident | 146 Ų | 146 | 85.2 Ų | 85.2 | 68% | 0.682 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64 | -28.5 | -171.4 | -62.9 | -174.8 | -179.9 | 0 | 0 | 114.3 | R482 K483 | E479-R482 PolarHBondContact O-N 3.49Å; E479-K483 WeakPolarHBondContact O-CG 3.44Å; E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 VanDerWaalsContact O-N 3.13Å |
| 480 | E | 70.5 | Confident | 72.1 | Confident | 142 Ų | 142 | 85.9 Ų | 85.9 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.1 | -36.4 | 179.1 | -61.8 | -169.6 | 162.8 | 0 | 0 | 112.2 | G478 V484 | G478-E480 VanDerWaalsContact C-N 3.29Å; G478-E480 PolarHBondContact O-N 3.45Å; E480-V484 WeakPolarHBondContact O-CG2 3.43Å; E480-V484 PolarHBondContact O-N 3.47Å |
| 481 | F | 73.6 | Confident | 70.9 | Confident | 7 Ų | 7 | 85.1 Ų | 85.1 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 174 | -82.4 | -90.7 | 0 | 0 | 0 | 111.3 | A456 L460 L463 L477 G478 K483 V484 Y485 | A456-F481 HydrophobicContact CB-CD1 4.5Å; A456-F481 HydrophobicContact CB-CE1 3.82Å; A456-F481 HydrophobicContact CB-CE2 4.39Å; A456-F481 HydrophobicContact CB-CZ 3.83Å; A456-F481 WeakPolarHBondContact O-CE1 3.41Å; A456-F481 WeakPolarHBondContact O-CZ 3.41Å; L460-F481 HydrophobicContact CB-CE1 4.2Å; L460-F481 HydrophobicContact CB-CZ 3.83Å; L460-F481 HydrophobicContact CD1-CD1 3.65Å; L460-F481 HydrophobicContact CD1-CD2 3.97Å; L460-F481 HydrophobicContact CD1-CE1 3.42Å; L460-F481 VanDerWaalsContact CD1-CE1 3.42Å; L460-F481 HydrophobicContact CD1-CE2 3.76Å; L460-F481 HydrophobicContact CD1-CG 3.87Å; L460-F481 HydrophobicContact CD1-CZ 3.4Å; L460-F481 VanDerWaalsContact CD1-CZ 3.4Å; L460-F481 HydrophobicContact CG-CE1 4.41Å; L460-F481 HydrophobicContact CG-CZ 4.19Å; L463-F481 HydrophobicContact CD1-CE1 3.97Å; L477-F481 HydrophobicContact CB-CB 4.27Å; L477-F481 HydrophobicContact CB-CD2 4.17Å; L477-F481 HydrophobicContact CB-CG 4.07Å; L477-F481 WeakPolarHBondContact O-CD2 3.31Å; G478-F481 PolarHBondContact O-N 2.81Å; F481-K483 VanDerWaalsContact C-N 3.33Å; F481-K483 PolarHBondContact O-N 2.89Å; F481-V484 PolarHBondContact O-N 3.31Å; F481-Y485 HydrophobicContact CD1-CD2 4.18Å; F481-Y485 AromaticContact CD1-CE2 3.9Å; F481-Y485 HydrophobicContact CD1-CE2 3.9Å; F481-Y485 HydrophobicContact CE1-CE2 4.27Å; F481-Y485 WeakPolarHBondContact O-CD2 3.34Å; F481-Y485 PolarHBondContact O-N 3.39Å |
| 482 | R | 74.3 | Confident | 69.9 | Low | 106 Ų | 106 | 80.2 Ų | 80.2 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.4 | -48.3 | 178.5 | -170 | -177.6 | -108.9 | -144.3 | -2.1 | 110.7 | I474 D475 G478 E479 Q486 | I474-R482 HydrophobicContact CG2-CB 4.46Å; D475-R482 IonicContact OD1-CZ 2.66Å; D475-R482 IonicContact OD1-NE 3.96Å; D475-R482 PolarHBondContact OD1-NE 3.3Å; D475-R482 IonicContact OD1-NH2 2.78Å; D475-R482 PolarHBondContact OD1-NH2 2.85Å; D475-R482 IonicContact OD2-CZ 2.89Å; D475-R482 IonicContact OD2-NH2 2.71Å; D475-R482 PolarHBondContact OD2-NH2 2.74Å; G478-R482 PolarHBondContact O-N 3.13Å; E479-R482 PolarHBondContact O-N 3.49Å; R482-Q486 VanDerWaalsContact CG-CD 3.47Å; R482-Q486 HydrophobicContact CG-CG 4.23Å; R482-Q486 VanDerWaalsContact CG-NE2 3.31Å; R482-Q486 WeakPolarHBondContact O-CB 3.48Å; R482-Q486 WeakPolarHBondContact O-CG 3.5Å; R482-Q486 PolarHBondContact O-N 3.39Å |
| 483 | K | 76.1 | Confident | 68.5 | Low | 128 Ų | 128 | 83.2 Ų | 83.2 | 56% | 0.557 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.7 | -46.5 | 179.2 | -69.2 | 173.9 | -173.8 | 171 | 0 | 113.3 | E479 F481 Q487 | E479-K483 WeakPolarHBondContact O-CG 3.44Å; E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 VanDerWaalsContact O-N 3.13Å; F481-K483 VanDerWaalsContact C-N 3.33Å; F481-K483 PolarHBondContact O-N 2.89Å; K483-Q487 WeakPolarHBondContact O-CG 3.49Å; K483-Q487 PolarHBondContact O-N 3.01Å |
| 484 | V | 76.6 | Confident | 66.9 | Low | 45 Ų | 45 | 90 Ų | 90 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | -176 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | L460 E480 F481 | L460-V484 HydrophobicContact CD1-CB 4.26Å; L460-V484 HydrophobicContact CD1-CG2 4.15Å; L460-V484 HydrophobicContact CD2-CG2 4.47Å; L460-V484 HydrophobicContact CG-CG2 4.4Å; E480-V484 WeakPolarHBondContact O-CG2 3.43Å; E480-V484 PolarHBondContact O-N 3.47Å; F481-V484 PolarHBondContact O-N 3.31Å |
| 485 | Y | 71.9 | Confident | 65.1 | Low | 35 Ų | 35 | 99.5 Ų | 99.5 | 14% | 0.137 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -89.1 | -27.4 | -177.4 | -74.4 | -85 | 0 | 0 | 0 | 113.4 | G461 L463 F481 R488 S489 | G461-Y485 PolarHBondContact N-OH 3.32Å; L463-Y485 VanDerWaalsContact CB-OH 3.3Å; L463-Y485 WeakPolarHBondContact CB-OH 3.41Å; L463-Y485 HydrophobicContact CD1-CE2 4.35Å; L463-Y485 WeakPolarHBondContact CD1-OH 3.31Å; L463-Y485 PolarHBondContact N-OH 3.45Å; L463-Y485 VanDerWaalsContact N-OH 3.15Å; F481-Y485 HydrophobicContact CD1-CD2 4.18Å; F481-Y485 AromaticContact CD1-CE2 3.9Å; F481-Y485 HydrophobicContact CD1-CE2 3.9Å; F481-Y485 HydrophobicContact CE1-CE2 4.27Å; F481-Y485 WeakPolarHBondContact O-CD2 3.34Å; F481-Y485 PolarHBondContact O-N 3.39Å; Y485-R488 PolarHBondContact O-N 3.38Å; Y485-S489 PolarHBondContact O-N 3.33Å; Y485-S489 PolarHBondContact O-OG 3.21Å |
| 486 | Q | 71.6 | Confident | 64.4 | Low | 91 Ų | 91 | 100.7 Ų | 100.7 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 168.7 | -77.6 | 176.2 | -18.8 | 0 | 0 | 111.8 | R482 R488 S489 E490 | R482-Q486 VanDerWaalsContact CG-CD 3.47Å; R482-Q486 HydrophobicContact CG-CG 4.23Å; R482-Q486 VanDerWaalsContact CG-NE2 3.31Å; R482-Q486 WeakPolarHBondContact O-CB 3.48Å; R482-Q486 WeakPolarHBondContact O-CG 3.5Å; R482-Q486 PolarHBondContact O-N 3.39Å; Q486-R488 PolarHBondContact O-N 3.47Å; Q486-S489 WeakPolarHBondContact CA-OG 3.47Å; Q486-S489 PolarHBondContact O-N 3.31Å; Q486-S489 PolarHBondContact O-OG 3.3Å; Q486-E490 WeakPolarHBondContact O-CG 3.44Å; Q486-E490 PolarHBondContact O-N 3.03Å; Q486-E490 VanDerWaalsContact O-N 3.16Å |
| 487 | Q | 64.8 | Low | 63.9 | Low | 124 Ų | 124 | 101.2 Ų | 101.2 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.4 | -31.7 | 175.1 | -74.7 | 178.4 | -6.2 | 0 | 0 | 112.5 | K483 I491 | K483-Q487 WeakPolarHBondContact O-CG 3.49Å; K483-Q487 PolarHBondContact O-N 3.01Å; Q487-I491 WeakPolarHBondContact O-CD1 3.45Å; Q487-I491 WeakPolarHBondContact O-CG1 3.46Å; Q487-I491 PolarHBondContact O-N 3.22Å |
| 488 | R | 61.2 | Low | 63.4 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 45% | 0.445 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79.7 | -29.6 | 177.7 | -83.9 | -176.8 | 170.1 | -179.3 | 2.5 | 114 | G461 Y485 Q486 C492 | G461-R488 PolarHBondContact O-NH1 3.35Å; G461-R488 PolarHBondContact O-NH2 3.47Å; Y485-R488 PolarHBondContact O-N 3.38Å; Q486-R488 PolarHBondContact O-N 3.47Å; R488-C492 PolarHBondContact O-N 3.3Å; R488-C492 PolarHBondContact O-SG 2.95Å |
| 489 | S | 59.8 | Low | 62.6 | Low | 58 Ų | 58 | 109.4 Ų | 109.4 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -42.7 | 173.7 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | Y485 Q486 I491 C492 E493 | Y485-S489 PolarHBondContact O-N 3.33Å; Y485-S489 PolarHBondContact O-OG 3.21Å; Q486-S489 WeakPolarHBondContact CA-OG 3.47Å; Q486-S489 PolarHBondContact O-N 3.31Å; Q486-S489 PolarHBondContact O-OG 3.3Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.97Å; S489-C492 PolarHBondContact O-N 3.28Å; S489-E493 PolarHBondContact O-N 3.2Å |
| 490 | E | 55.8 | Low | 62 | Low | 125 Ų | 125 | 107.1 Ų | 107.1 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.5 | -41.8 | 175.8 | -70.1 | 171.2 | -179.9 | 0 | 0 | 111.8 | Q486 C492 E493 | Q486-E490 WeakPolarHBondContact O-CG 3.44Å; Q486-E490 PolarHBondContact O-N 3.03Å; Q486-E490 VanDerWaalsContact O-N 3.16Å; E490-C492 VanDerWaalsContact C-N 3.26Å; E490-C492 PolarHBondContact O-N 3.48Å; E490-E493 PolarHBondContact O-N 3.24Å |
| 491 | I | 55.7 | Low | 61.4 | Low | 116 Ų | 116 | 104.8 Ų | 104.8 | 60% | 0.595 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.1 | -21.5 | 177.5 | -63.6 | 163.9 | 0 | 0 | 0 | 113 | Q487 S489 | Q487-I491 WeakPolarHBondContact O-CD1 3.45Å; Q487-I491 WeakPolarHBondContact O-CG1 3.46Å; Q487-I491 PolarHBondContact O-N 3.22Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.97Å |
| 492 | C | 51.8 | Low | 60.6 | Low | 62 Ų | 62 | 111.8 Ų | 111.8 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -89.7 | -19.3 | 178.3 | -75 | 0 | 0 | 0 | 0 | 113.7 | K465 R488 S489 E490 | K465-C492 PolarHBondContact NZ-SG 3.25Å; R488-C492 PolarHBondContact O-N 3.3Å; R488-C492 PolarHBondContact O-SG 2.95Å; S489-C492 PolarHBondContact O-N 3.28Å; E490-C492 VanDerWaalsContact C-N 3.26Å; E490-C492 PolarHBondContact O-N 3.48Å |
| 493 | E | 47.7 | Very low | 59.5 | Low | 166 Ų | 166 | 112.2 Ų | 112.2 | 78% | 0.776 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -83.6 | -18.8 | 178.6 | -71.4 | -173.1 | 169.4 | 0 | 0 | 113 | S489 E490 K495 | S489-E493 PolarHBondContact O-N 3.2Å; E490-E493 PolarHBondContact O-N 3.24Å; E493-K495 VanDerWaalsContact C-N 3.3Å; E493-K495 PolarHBondContact O-N 2.99Å |
| 494 | D | 43.5 | Very low | 58.1 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 81% | 0.807 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 13.3 | 175.9 | -78.2 | -23 | 0 | 0 | 0 | 114.5 | ||
| 495 | K | 37.4 | Very low | 56.5 | Low | 240 Ų | 240 | 116.9 Ų | 116.9 | 100% | 1.043 | 57% | 0.565 | S | S | * | * | trans | -134.3 | 0 | 174.9 | -73.3 | -173.4 | 179.6 | -179.4 | 0 | 111.4 | E493 | E493-K495 VanDerWaalsContact C-N 3.3Å; E493-K495 PolarHBondContact O-N 2.99Å |
Retrieved 495 of 495 residues in 369.1 ms
(Link to these results)