| 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 | 36.9 | Very low | 38 | Very low | 246 Ų | 246 | 155.4 Ų | 155.4 | 100% | 1.212 | 85% | 0.853 | S | S | * | * | 0 | 141.1 | 0 | -87 | -61.8 | -175.6 | 0 | 0 | 109.3 | |||||
| 2 | A | 41.8 | Very low | 37.3 | Very low | 86 Ų | 86 | 149.3 Ų | 149.3 | 71% | 0.711 | 85% | 0.853 | S | S | * | * | trans | -94.4 | -177.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | P | 54.4 | Low | 37 | Very low | 100 Ų | 100 | 147 Ų | 147 | 65% | 0.649 | 85% | 0.852 | S | S | * | * | cis | -153.8 | 173.5 | 40 | 44.5 | -23.4 | 0 | 0 | 0 | 119.7 | ||||
| 4 | K | 35 | Very low | 36.9 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 81% | 0.809 | 85% | 0.851 | S | S | * | * | trans | 61.2 | 117.3 | 148 | -69.9 | 155.7 | -171.4 | 176.7 | 0 | 118.3 | ||||
| 5 | K | 38.1 | Very low | 37.5 | Very low | 202 Ų | 202 | 147.7 Ų | 147.7 | 88% | 0.878 | 85% | 0.848 | S | S | * | * | 65.9 | 116.5 | 69.8 | -74.5 | -170.8 | 173.6 | -176.4 | 0 | 115.4 | |||||
| 6 | K | 37.1 | Very low | 36.9 | Very low | 215 Ų | 215 | 143.3 Ų | 143.3 | 94% | 0.935 | 85% | 0.845 | S | S | * | * | -154.1 | 145.6 | 128.5 | -120.1 | 177 | -179.2 | -177.8 | 0 | 111.5 | |||||
| 7 | R | 33.2 | Very low | 36.5 | Very low | 254 Ų | 254 | 139.3 Ų | 139.3 | 96% | 0.958 | 84% | 0.841 | S | S | * | * | trans | -99.9 | 151.7 | 168.6 | -98.9 | -178.3 | 170.1 | -178.9 | -4.2 | 108.7 | ||||
| 8 | G | 32.2 | Very low | 36.1 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | trans | -133.6 | 151.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 9 | P | 44.3 | Very low | 35.8 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | trans | -111.2 | 165.9 | -151.3 | 40.3 | -33.6 | 0 | 0 | 0 | 115.9 | ||||
| 10 | S | 35 | Very low | 35.7 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | -84.5 | 150.9 | 161 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | A | 30.3 | Very low | 35.7 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | trans | -160.2 | 135.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | G | 29.3 | Very low | 35.7 | Very low | 82 Ų | 82 | 124 Ų | 124 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 79.3 | 144.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 13 | S | 32.9 | Very low | 35.8 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | cis | -149.7 | 145 | -1.8 | -157.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 14 | Q | 36.5 | Very low | 35.2 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -139.6 | 177.2 | 158.2 | -88.7 | -160.8 | -6.5 | 0 | 0 | 105.3 | ||||
| 15 | P | 46 | Very low | 35.7 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | cis | -131.9 | -164.4 | -2.1 | 38.1 | -19 | 0 | 0 | 0 | 112.9 | ||||
| 16 | G | 27.8 | Very low | 36.4 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 141.3 | 132.2 | 138.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 17 | G | 29.1 | Very low | 37.1 | Very low | 76 Ų | 76 | 118.4 Ų | 118.4 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 90.2 | 98.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 18 | A | 29.2 | Very low | 38.7 | Very low | 107 Ų | 107 | 108.8 Ų | 108.8 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | 69.3 | 129.1 | 53.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 19 | A | 30.2 | Very low | 40.5 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | cis | -159.5 | 176.7 | -13.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 20 | A | 34.9 | Very low | 41.9 | Very low | 98 Ų | 98 | 112.9 Ų | 112.9 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | cis | -150.5 | -161.3 | 5.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 21 | A | 35.3 | Very low | 43.7 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | cis | -157.5 | 165.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | G | 36.3 | Very low | 46 | Very low | 74 Ų | 74 | 109.2 Ų | 109.2 | 76% | 0.763 | 73% | 0.725 | S | S | * | * | trans | 100.5 | 99.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 23 | A | 45.7 | Very low | 48.5 | Very low | 96 Ų | 96 | 110.8 Ų | 110.8 | 79% | 0.793 | 71% | 0.706 | S | S | * | * | trans | 57.5 | 136.4 | 142 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 24 | E | 41.6 | Very low | 50.9 | Low | 184 Ų | 184 | 109.5 Ų | 109.5 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | trans | 60.5 | 73.3 | 153.4 | -63.2 | -169.5 | -164.5 | 0 | 0 | 121 | ||||
| 25 | Q | 45.5 | Very low | 53.1 | Low | 145 Ų | 145 | 108 Ų | 108 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | trans | -143.2 | 110.6 | 153.5 | -65.5 | -168.2 | 7 | 0 | 0 | 113 | ||||
| 26 | P | 53 | Low | 55 | Low | 99 Ų | 99 | 110.2 Ų | 110.2 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -126.8 | -20.1 | 155 | 4.6 | 17.6 | 0 | 0 | 0 | 114.5 | ||
| 27 | L | 51.9 | Low | 57.8 | Low | 148 Ų | 148 | 109.9 Ų | 109.9 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83 | -29.9 | -174.9 | -64.8 | 176.9 | 0 | 0 | 0 | 113.3 | A31 | L27-A31 PolarHBondContact O-N 2.96Å |
| 28 | S | 64.9 | Low | 60.4 | Low | 52 Ų | 52 | 112.8 Ų | 112.8 | 36% | 0.364 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.7 | -43.6 | -178.9 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | R30 A31 Q32 | S28-R30 VanDerWaalsContact C-N 3.32Å; S28-R30 PolarHBondContact O-N 3.04Å; S28-A31 PolarHBondContact O-N 3.42Å; S28-Q32 WeakPolarHBondContact O-CG 3.42Å; S28-Q32 PolarHBondContact O-N 3.38Å; S28-Q32 PolarHBondContact OG-NE2 2.87Å |
| 29 | E | 70.3 | Confident | 63.1 | Low | 133 Ų | 133 | 109.6 Ų | 109.6 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.3 | -40.8 | 179.5 | -59.4 | -170.9 | 147.7 | 0 | 0 | 111.8 | A31 Q32 Y33 | E29-A31 PolarHBondContact O-N 3.43Å; E29-Q32 PolarHBondContact O-N 3.48Å; E29-Y33 VanDerWaalsContact O-CB 3.26Å; E29-Y33 WeakPolarHBondContact O-CB 3.26Å; E29-Y33 PolarHBondContact O-N 3.3Å |
| 30 | R | 73.8 | Confident | 66 | Low | 152 Ų | 152 | 108.4 Ų | 108.4 | 57% | 0.574 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.4 | -38.2 | 178.2 | -173.6 | 59.6 | 175.6 | -179.8 | 2.3 | 112 | S28 L34 | S28-R30 VanDerWaalsContact C-N 3.32Å; S28-R30 PolarHBondContact O-N 3.04Å; R30-L34 HydrophobicContact CG-CD1 4.35Å; R30-L34 WeakPolarHBondContact O-CB 3.29Å; R30-L34 VanDerWaalsContact O-CG 3.28Å; R30-L34 WeakPolarHBondContact O-CG 3.44Å; R30-L34 PolarHBondContact O-N 2.91Å |
| 31 | A | 73.8 | Confident | 68.6 | Low | 57 Ų | 57 | 108 Ų | 108 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.8 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L27 S28 E29 Y33 L34 Q35 | L27-A31 PolarHBondContact O-N 2.96Å; S28-A31 PolarHBondContact O-N 3.42Å; E29-A31 PolarHBondContact O-N 3.43Å; A31-Y33 VanDerWaalsContact C-N 3.32Å; A31-Y33 PolarHBondContact O-N 2.92Å; A31-L34 PolarHBondContact O-N 3.22Å; A31-Q35 WeakPolarHBondContact O-CB 3.48Å; A31-Q35 PolarHBondContact O-N 3.14Å |
| 32 | Q | 78.3 | Confident | 71.1 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 41% | 0.411 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -37.2 | 176.9 | -69 | 178.2 | 48.7 | 0 | 0 | 112.5 | S28 E29 Q35 R36 | S28-Q32 WeakPolarHBondContact O-CG 3.42Å; S28-Q32 PolarHBondContact O-N 3.38Å; S28-Q32 PolarHBondContact OG-NE2 2.87Å; E29-Q32 PolarHBondContact O-N 3.48Å; Q32-Q35 PolarHBondContact O-N 3.06Å; Q32-R36 WeakPolarHBondContact O-CG 3.28Å; Q32-R36 PolarHBondContact O-N 3.31Å |
| 33 | Y | 82.3 | Confident | 73.7 | Confident | 114 Ų | 114 | 107.7 Ų | 107.7 | 45% | 0.447 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 173.4 | 177 | -107.5 | 0 | 0 | 0 | 111.4 | E29 A31 Q35 R36 E37 | E29-Y33 VanDerWaalsContact O-CB 3.26Å; E29-Y33 WeakPolarHBondContact O-CB 3.26Å; E29-Y33 PolarHBondContact O-N 3.3Å; A31-Y33 VanDerWaalsContact C-N 3.32Å; A31-Y33 PolarHBondContact O-N 2.92Å; Y33-Q35 VanDerWaalsContact C-N 3.26Å; Y33-Q35 PolarHBondContact O-N 3.31Å; Y33-R36 PolarHBondContact O-N 3.43Å; Y33-R36 VanDerWaalsContact O-N 3.14Å; Y33-E37 HydrophobicContact CD1-CG 4.31Å; Y33-E37 HydrophobicContact CD2-CG 4.29Å; Y33-E37 HydrophobicContact CE1-CG 3.82Å; Y33-E37 HydrophobicContact CE2-CG 3.76Å; Y33-E37 WeakPolarHBondContact CE2-OE1 3.37Å; Y33-E37 VanDerWaalsContact CZ-CG 3.49Å; Y33-E37 WeakPolarHBondContact O-CG 3.38Å; Y33-E37 PolarHBondContact O-N 2.62Å; Y33-E37 VanDerWaalsContact OH-CD 3.27Å; Y33-E37 PolarHBondContact OH-OE1 3.05Å |
| 34 | L | 82.8 | Confident | 75.8 | Confident | 94 Ų | 94 | 108.2 Ų | 108.2 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -34.7 | 176.1 | -73.6 | 168.8 | 0 | 0 | 0 | 112.7 | R30 A31 H38 | R30-L34 HydrophobicContact CG-CD1 4.35Å; R30-L34 WeakPolarHBondContact O-CB 3.29Å; R30-L34 VanDerWaalsContact O-CG 3.28Å; R30-L34 WeakPolarHBondContact O-CG 3.44Å; R30-L34 PolarHBondContact O-N 2.91Å; A31-L34 PolarHBondContact O-N 3.22Å; L34-H38 VanDerWaalsContact O-CB 3.28Å; L34-H38 WeakPolarHBondContact O-CB 3.36Å; L34-H38 PolarHBondContact O-N 2.81Å |
| 35 | Q | 83.7 | Confident | 78.2 | Confident | 146 Ų | 146 | 104.5 Ų | 104.5 | 68% | 0.682 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.6 | -34.5 | 176.5 | -167.4 | 172.8 | 10 | 0 | 0 | 112.5 | A31 Q32 Y33 A39 | A31-Q35 WeakPolarHBondContact O-CB 3.48Å; A31-Q35 PolarHBondContact O-N 3.14Å; Q32-Q35 PolarHBondContact O-N 3.06Å; Y33-Q35 VanDerWaalsContact C-N 3.26Å; Y33-Q35 PolarHBondContact O-N 3.31Å; Q35-A39 WeakPolarHBondContact O-CB 3.24Å; Q35-A39 PolarHBondContact O-N 2.87Å |
| 36 | R | 85.3 | Confident | 80.4 | Confident | 173 Ų | 173 | 101.7 Ų | 101.7 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.1 | -42.2 | 173.4 | -70.5 | 175.1 | -168.6 | 171.8 | 7.6 | 112.3 | Q32 Y33 H38 A39 L40 | Q32-R36 WeakPolarHBondContact O-CG 3.28Å; Q32-R36 PolarHBondContact O-N 3.31Å; Y33-R36 PolarHBondContact O-N 3.43Å; Y33-R36 VanDerWaalsContact O-N 3.14Å; R36-H38 VanDerWaalsContact C-N 3.33Å; R36-A39 PolarHBondContact O-N 2.92Å; R36-L40 VanDerWaalsContact O-CB 3.29Å; R36-L40 WeakPolarHBondContact O-CB 3.16Å; R36-L40 PolarHBondContact O-N 3.27Å |
| 37 | E | 85.8 | Confident | 82.3 | Confident | 70 Ų | 70 | 99.1 Ų | 99.1 | 33% | 0.327 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 172.5 | -68.6 | -70.6 | 161.3 | 0 | 0 | 110.6 | Y33 L40 L41 | Y33-E37 HydrophobicContact CD1-CG 4.31Å; Y33-E37 HydrophobicContact CD2-CG 4.29Å; Y33-E37 HydrophobicContact CE1-CG 3.82Å; Y33-E37 HydrophobicContact CE2-CG 3.76Å; Y33-E37 WeakPolarHBondContact CE2-OE1 3.37Å; Y33-E37 VanDerWaalsContact CZ-CG 3.49Å; Y33-E37 WeakPolarHBondContact O-CG 3.38Å; Y33-E37 PolarHBondContact O-N 2.62Å; Y33-E37 VanDerWaalsContact OH-CD 3.27Å; Y33-E37 PolarHBondContact OH-OE1 3.05Å; E37-L40 PolarHBondContact O-N 2.99Å; E37-L41 VanDerWaalsContact O-CB 3.24Å; E37-L41 WeakPolarHBondContact O-CB 3.48Å; E37-L41 WeakPolarHBondContact O-CD1 3.43Å; E37-L41 WeakPolarHBondContact O-CG 3.39Å; E37-L41 PolarHBondContact O-N 2.89Å |
| 38 | H | 84.2 | Confident | 84.2 | Confident | 136 Ų | 136 | 94.9 Ų | 94.9 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 173.9 | -172.4 | -47.7 | 0 | 0 | 0 | 112.2 | L34 R36 L41 S42 | L34-H38 VanDerWaalsContact O-CB 3.28Å; L34-H38 WeakPolarHBondContact O-CB 3.36Å; L34-H38 PolarHBondContact O-N 2.81Å; R36-H38 VanDerWaalsContact C-N 3.33Å; H38-L41 PolarHBondContact O-N 2.87Å; H38-S42 PolarHBondContact O-N 3.24Å; H38-S42 PolarHBondContact O-OG 3.06Å; H38-S42 VanDerWaalsContact O-OG 3.05Å |
| 39 | A | 86.7 | Confident | 85.5 | Confident | 41 Ų | 41 | 98.2 Ų | 98.2 | 34% | 0.339 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Q35 R36 L41 S42 E43 | Q35-A39 WeakPolarHBondContact O-CB 3.24Å; Q35-A39 PolarHBondContact O-N 2.87Å; R36-A39 PolarHBondContact O-N 2.92Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.47Å; A39-S42 WeakPolarHBondContact CA-OG 3.21Å; A39-S42 PolarHBondContact O-N 3.39Å; A39-S42 PolarHBondContact O-OG 2.84Å; A39-E43 WeakPolarHBondContact O-CG 3.34Å; A39-E43 PolarHBondContact O-N 3.48Å |
| 40 | L | 90.8 | Very high | 86.6 | Confident | 76 Ų | 76 | 97.9 Ų | 97.9 | 40% | 0.398 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -30.9 | 177.1 | 176.8 | 140.7 | 0 | 0 | 0 | 112.4 | R36 E37 Q44 | R36-L40 VanDerWaalsContact O-CB 3.29Å; R36-L40 WeakPolarHBondContact O-CB 3.16Å; R36-L40 PolarHBondContact O-N 3.27Å; E37-L40 PolarHBondContact O-N 2.99Å; L40-Q44 WeakPolarHBondContact O-CB 3.5Å; L40-Q44 WeakPolarHBondContact O-CG 3.17Å; L40-Q44 PolarHBondContact O-N 2.77Å |
| 41 | L | 89.4 | Confident | 87.6 | Confident | 90 Ų | 90 | 97.9 Ų | 97.9 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.1 | -35.5 | 171.4 | -74.3 | 169 | 0 | 0 | 0 | 112.4 | E37 H38 A39 Q44 L45 | E37-L41 VanDerWaalsContact O-CB 3.24Å; E37-L41 WeakPolarHBondContact O-CB 3.48Å; E37-L41 WeakPolarHBondContact O-CD1 3.43Å; E37-L41 WeakPolarHBondContact O-CG 3.39Å; E37-L41 PolarHBondContact O-N 2.89Å; H38-L41 PolarHBondContact O-N 2.87Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.47Å; L41-Q44 PolarHBondContact O-N 2.93Å; L41-L45 WeakPolarHBondContact O-CB 3.28Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.15Å; L41-L45 PolarHBondContact O-N 2.91Å |
| 42 | S | 87.9 | Confident | 88.6 | Confident | 39 Ų | 39 | 99.1 Ų | 99.1 | 27% | 0.273 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 170 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | H38 A39 Q44 L45 D46 | H38-S42 PolarHBondContact O-N 3.24Å; H38-S42 PolarHBondContact O-OG 3.06Å; H38-S42 VanDerWaalsContact O-OG 3.05Å; A39-S42 WeakPolarHBondContact CA-OG 3.21Å; A39-S42 PolarHBondContact O-N 3.39Å; A39-S42 PolarHBondContact O-OG 2.84Å; S42-Q44 PolarHBondContact O-N 3.05Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; S42-L45 CarbonylContact O-C 3.55Å; S42-L45 WeakPolarHBondContact O-CA 3.47Å; S42-L45 WeakPolarHBondContact O-CB 3.45Å; S42-L45 PolarHBondContact O-N 3.16Å; S42-D46 WeakPolarHBondContact O-CB 3.44Å; S42-D46 PolarHBondContact O-N 3.45Å |
| 43 | E | 89.6 | Confident | 89.4 | Confident | 128 Ų | 128 | 99.4 Ų | 99.4 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.6 | -34.2 | 175.3 | -72 | 170.4 | -168.5 | 0 | 0 | 112.2 | A39 A47 | A39-E43 WeakPolarHBondContact O-CG 3.34Å; A39-E43 PolarHBondContact O-N 3.48Å; E43-A47 WeakPolarHBondContact O-CB 3.19Å; E43-A47 PolarHBondContact O-N 3.01Å |
| 44 | Q | 91.1 | Very high | 90 | Very high | 107 Ų | 107 | 98.7 Ų | 98.7 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.1 | -29.4 | 173.7 | -76.2 | 175.8 | 24.3 | 0 | 0 | 114 | L40 L41 S42 C48 | L40-Q44 WeakPolarHBondContact O-CB 3.5Å; L40-Q44 WeakPolarHBondContact O-CG 3.17Å; L40-Q44 PolarHBondContact O-N 2.77Å; L41-Q44 PolarHBondContact O-N 2.93Å; S42-Q44 PolarHBondContact O-N 3.05Å; S42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-C48 WeakPolarHBondContact O-CB 3.26Å; Q44-C48 PolarHBondContact O-N 2.85Å; Q44-C48 VanDerWaalsContact O-N 3.15Å; Q44-C48 PolarHBondContact O-SG 3.09Å |
| 45 | L | 91.8 | Very high | 90.6 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.1 | -52.6 | 171.5 | -76.2 | 164.4 | 0 | 0 | 0 | 109.8 | L41 S42 A47 C48 E49 | L41-L45 WeakPolarHBondContact O-CB 3.28Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.15Å; L41-L45 PolarHBondContact O-N 2.91Å; S42-L45 CarbonylContact O-C 3.55Å; S42-L45 WeakPolarHBondContact O-CA 3.47Å; S42-L45 WeakPolarHBondContact O-CB 3.45Å; S42-L45 PolarHBondContact O-N 3.16Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 3.38Å; L45-C48 CarbonylContact O-C 3.59Å; L45-C48 WeakPolarHBondContact O-CA 3.49Å; L45-C48 WeakPolarHBondContact O-CB 3.46Å; L45-C48 PolarHBondContact O-N 3.13Å; L45-E49 WeakPolarHBondContact O-CG 3.18Å; L45-E49 PolarHBondContact O-N 3.15Å |
| 46 | D | 91.1 | Very high | 91.1 | Very high | 86 Ų | 86 | 95.6 Ų | 95.6 | 46% | 0.46 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -53.1 | -49.9 | 176.5 | -56.5 | -25.7 | 0 | 0 | 0 | 110.5 | S42 C48 E49 E50 | S42-D46 WeakPolarHBondContact O-CB 3.44Å; S42-D46 PolarHBondContact O-N 3.45Å; D46-C48 PolarHBondContact O-N 2.78Å; D46-E49 PolarHBondContact O-N 3.27Å; D46-E49 VanDerWaalsContact O-N 3.13Å; D46-E50 PolarHBondContact O-N 2.87Å |
| 47 | A | 92.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 93.9 Ų | 93.9 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.6 | -15.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E43 L45 R51 | E43-A47 WeakPolarHBondContact O-CB 3.19Å; E43-A47 PolarHBondContact O-N 3.01Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 3.38Å; A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 WeakPolarHBondContact O-CD 3.41Å; A47-R51 WeakPolarHBondContact O-CG 3.15Å |
| 48 | C | 92.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 96.2 Ų | 96.2 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -85.5 | -35.8 | 167.6 | -74.9 | 0 | 0 | 0 | 0 | 112 | Q44 L45 D46 R51 V52 | Q44-C48 WeakPolarHBondContact O-CB 3.26Å; Q44-C48 PolarHBondContact O-N 2.85Å; Q44-C48 VanDerWaalsContact O-N 3.15Å; Q44-C48 PolarHBondContact O-SG 3.09Å; L45-C48 CarbonylContact O-C 3.59Å; L45-C48 WeakPolarHBondContact O-CA 3.49Å; L45-C48 WeakPolarHBondContact O-CB 3.46Å; L45-C48 PolarHBondContact O-N 3.13Å; D46-C48 PolarHBondContact O-N 2.78Å; C48-R51 PolarHBondContact O-N 3.49Å; C48-V52 WeakPolarHBondContact O-CG2 3.34Å; C48-V52 PolarHBondContact O-N 3.13Å |
| 49 | E | 92.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 93.8 Ų | 93.8 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -47.3 | 175 | -70.8 | -177.9 | -170 | 0 | 0 | 110.7 | L45 D46 R51 V52 D53 | L45-E49 WeakPolarHBondContact O-CG 3.18Å; L45-E49 PolarHBondContact O-N 3.15Å; D46-E49 PolarHBondContact O-N 3.27Å; D46-E49 VanDerWaalsContact O-N 3.13Å; E49-R51 PolarHBondContact O-N 2.89Å; E49-V52 CarbonylContact O-C 3.57Å; E49-V52 WeakPolarHBondContact O-CA 3.24Å; E49-V52 WeakPolarHBondContact O-CB 3.41Å; E49-V52 PolarHBondContact O-N 2.84Å; E49-D53 PolarHBondContact O-N 3.04Å |
| 50 | E | 93.3 | Very high | 93 | Very high | 126 Ų | 126 | 93.7 Ų | 93.7 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -54.6 | -40.5 | 171.6 | -74.3 | -171 | 166.5 | 0 | 0 | 112.3 | D46 D53 Q54 | D46-E50 PolarHBondContact O-N 2.87Å; E50-D53 PolarHBondContact O-N 3.35Å; E50-Q54 WeakPolarHBondContact O-CB 3.47Å; E50-Q54 WeakPolarHBondContact O-CG 3.5Å; E50-Q54 PolarHBondContact O-N 3.24Å; E50-Q54 PolarHBondContact O-NE2 3.21Å |
| 51 | R | 94.7 | Very high | 93.3 | Very high | 152 Ų | 152 | 95 Ų | 95 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.6 | -31.8 | 178 | -76.9 | 173.2 | 57.4 | -125.6 | -4.6 | 112.6 | A47 C48 E49 V55 | A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 WeakPolarHBondContact O-CD 3.41Å; A47-R51 WeakPolarHBondContact O-CG 3.15Å; C48-R51 PolarHBondContact O-N 3.49Å; E49-R51 PolarHBondContact O-N 2.89Å; R51-V55 WeakPolarHBondContact O-CB 3.39Å; R51-V55 VanDerWaalsContact O-CG2 3.24Å; R51-V55 WeakPolarHBondContact O-CG2 3.41Å; R51-V55 PolarHBondContact O-N 3.44Å; R51-V55 VanDerWaalsContact O-N 3.13Å |
| 52 | V | 95.5 | Very high | 93.6 | Very high | 84 Ų | 84 | 95.4 Ų | 95.4 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 170.6 | 165.6 | 0 | 0 | 0 | 0 | 109.8 | C48 E49 Q54 V55 L56 | C48-V52 WeakPolarHBondContact O-CG2 3.34Å; C48-V52 PolarHBondContact O-N 3.13Å; E49-V52 CarbonylContact O-C 3.57Å; E49-V52 WeakPolarHBondContact O-CA 3.24Å; E49-V52 WeakPolarHBondContact O-CB 3.41Å; E49-V52 PolarHBondContact O-N 2.84Å; V52-Q54 PolarHBondContact O-N 3.34Å; V52-V55 CarbonylContact O-C 3.57Å; V52-V55 PolarHBondContact O-N 2.93Å; V52-L56 HydrophobicContact CG1-CD1 3.83Å; V52-L56 HydrophobicContact CG1-CG 4.24Å; V52-L56 WeakPolarHBondContact O-CB 3.23Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.45Å; V52-L56 PolarHBondContact O-N 3.32Å |
| 53 | D | 93.4 | Very high | 94 | Very high | 93 Ų | 93 | 98.1 Ų | 98.1 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 178.7 | -85.7 | -8.2 | 0 | 0 | 0 | 112.9 | E49 E50 L56 Q57 | E49-D53 PolarHBondContact O-N 3.04Å; E50-D53 PolarHBondContact O-N 3.35Å; D53-L56 PolarHBondContact O-N 2.88Å; D53-Q57 WeakPolarHBondContact O-CB 3.36Å; D53-Q57 VanDerWaalsContact O-CG 3.23Å; D53-Q57 WeakPolarHBondContact O-CG 3.43Å; D53-Q57 PolarHBondContact O-N 3.35Å; D53-Q57 PolarHBondContact O-NE2 2.79Å |
| 54 | Q | 95.3 | Very high | 94.3 | Very high | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 170.9 | -73.8 | 160.9 | 30.9 | 0 | 0 | 110.7 | E50 V52 L56 Q57 E58 | E50-Q54 WeakPolarHBondContact O-CB 3.47Å; E50-Q54 WeakPolarHBondContact O-CG 3.5Å; E50-Q54 PolarHBondContact O-N 3.24Å; E50-Q54 PolarHBondContact O-NE2 3.21Å; V52-Q54 PolarHBondContact O-N 3.34Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; Q54-L56 PolarHBondContact O-N 2.88Å; Q54-Q57 PolarHBondContact O-N 2.77Å; Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 2.92Å |
| 55 | V | 95.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 98.6 Ų | 98.6 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -34.6 | 178.4 | 168.5 | 0 | 0 | 0 | 0 | 112 | R51 V52 N59 | R51-V55 WeakPolarHBondContact O-CB 3.39Å; R51-V55 VanDerWaalsContact O-CG2 3.24Å; R51-V55 WeakPolarHBondContact O-CG2 3.41Å; R51-V55 PolarHBondContact O-N 3.44Å; R51-V55 VanDerWaalsContact O-N 3.13Å; V52-V55 CarbonylContact O-C 3.57Å; V52-V55 PolarHBondContact O-N 2.93Å; V55-N59 WeakPolarHBondContact CG1-ND2 3.27Å; V55-N59 WeakPolarHBondContact O-CB 3.35Å; V55-N59 PolarHBondContact O-N 3.41Å; V55-N59 PolarHBondContact O-ND2 2.87Å |
| 56 | L | 95.4 | Very high | 94.8 | Very high | 102 Ų | 102 | 94.9 Ų | 94.9 | 53% | 0.534 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 174.2 | -72.9 | 172.6 | 0 | 0 | 0 | 111.7 | V52 D53 Q54 A60 | V52-L56 HydrophobicContact CG1-CD1 3.83Å; V52-L56 HydrophobicContact CG1-CG 4.24Å; V52-L56 WeakPolarHBondContact O-CB 3.23Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.45Å; V52-L56 PolarHBondContact O-N 3.32Å; D53-L56 PolarHBondContact O-N 2.88Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; Q54-L56 PolarHBondContact O-N 2.88Å; L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.34Å; L56-A60 PolarHBondContact O-N 3.19Å |
| 57 | Q | 95.1 | Very high | 95 | Very high | 137 Ų | 137 | 95.5 Ų | 95.5 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.6 | -42.3 | 174.6 | -71 | 170.2 | 55.2 | 0 | 0 | 112 | D53 Q54 A60 F61 | D53-Q57 WeakPolarHBondContact O-CB 3.36Å; D53-Q57 VanDerWaalsContact O-CG 3.23Å; D53-Q57 WeakPolarHBondContact O-CG 3.43Å; D53-Q57 PolarHBondContact O-N 3.35Å; D53-Q57 PolarHBondContact O-NE2 2.79Å; Q54-Q57 PolarHBondContact O-N 2.77Å; Q57-A60 PolarHBondContact O-N 2.98Å; Q57-F61 WeakPolarHBondContact O-CB 3.5Å; Q57-F61 PolarHBondContact O-N 3.02Å |
| 58 | E | 95.4 | Very high | 95.2 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -46.9 | 174.9 | -74.2 | -179.5 | 169 | 0 | 0 | 111.9 | Q54 A60 F61 L62 | Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 2.92Å; E58-A60 PolarHBondContact O-N 3.2Å; E58-F61 WeakPolarHBondContact O-CB 3.44Å; E58-F61 PolarHBondContact O-N 3.34Å; E58-F61 VanDerWaalsContact O-N 3.15Å; E58-L62 WeakPolarHBondContact O-CG 3.3Å; E58-L62 PolarHBondContact O-N 3.41Å |
| 59 | N | 95.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 102.1 Ų | 102.1 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.1 | -80.2 | -75.3 | 0 | 0 | 0 | 111.4 | V55 F61 L62 D63 | V55-N59 WeakPolarHBondContact CG1-ND2 3.27Å; V55-N59 WeakPolarHBondContact O-CB 3.35Å; V55-N59 PolarHBondContact O-N 3.41Å; V55-N59 PolarHBondContact O-ND2 2.87Å; N59-F61 PolarHBondContact O-N 3.15Å; N59-L62 PolarHBondContact O-N 2.95Å; N59-D63 PolarHBondContact O-N 3.29Å |
| 60 | A | 96.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 103.5 Ų | 103.5 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -23.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L56 Q57 E58 R64 | L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 3.34Å; L56-A60 PolarHBondContact O-N 3.19Å; Q57-A60 PolarHBondContact O-N 2.98Å; E58-A60 PolarHBondContact O-N 3.2Å; A60-R64 WeakPolarHBondContact O-CD 3.41Å; A60-R64 WeakPolarHBondContact O-CG 3.37Å; A60-R64 PolarHBondContact O-NE 3.33Å |
| 61 | F | 96.8 | Very high | 95.8 | Very high | 104 Ų | 104 | 103.5 Ų | 103.5 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.8 | -49.5 | 169.4 | 175.5 | -93.7 | 0 | 0 | 0 | 111.5 | Q57 E58 N59 D63 R64 E65 | Q57-F61 WeakPolarHBondContact O-CB 3.5Å; Q57-F61 PolarHBondContact O-N 3.02Å; E58-F61 WeakPolarHBondContact O-CB 3.44Å; E58-F61 PolarHBondContact O-N 3.34Å; E58-F61 VanDerWaalsContact O-N 3.15Å; N59-F61 PolarHBondContact O-N 3.15Å; F61-D63 VanDerWaalsContact C-N 3.3Å; F61-D63 PolarHBondContact O-N 3.26Å; F61-R64 WeakPolarHBondContact O-CA 3.49Å; F61-R64 WeakPolarHBondContact O-CB 3.17Å; F61-R64 PolarHBondContact O-N 2.95Å; F61-E65 HydrophobicContact CD1-CG 4.28Å; F61-E65 HydrophobicContact CE1-CG 3.74Å; F61-E65 WeakPolarHBondContact CE1-OE2 3.35Å; F61-E65 HydrophobicContact CE2-CG 4.37Å; F61-E65 HydrophobicContact CZ-CG 3.79Å; F61-E65 VanDerWaalsContact CZ-OE1 3.27Å; F61-E65 WeakPolarHBondContact CZ-OE1 3.44Å; F61-E65 PolarHBondContact O-N 3.48Å |
| 62 | L | 96.6 | Very high | 95.9 | Very high | 98 Ų | 98 | 100.9 Ų | 100.9 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -36.7 | 178.6 | -70.4 | 171 | 0 | 0 | 0 | 112.4 | E58 N59 R64 E65 A66 | E58-L62 WeakPolarHBondContact O-CG 3.3Å; E58-L62 PolarHBondContact O-N 3.41Å; N59-L62 PolarHBondContact O-N 2.95Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 2.8Å; L62-E65 PolarHBondContact O-N 3.38Å; L62-A66 WeakPolarHBondContact O-CB 3.26Å; L62-A66 PolarHBondContact O-N 2.9Å |
| 63 | D | 95.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 101.8 Ų | 101.8 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 173.3 | -88.1 | -36.4 | 0 | 0 | 0 | 112.2 | N59 F61 A66 L67 | N59-D63 PolarHBondContact O-N 3.29Å; F61-D63 VanDerWaalsContact C-N 3.3Å; F61-D63 PolarHBondContact O-N 3.26Å; D63-A66 PolarHBondContact O-N 2.85Å; D63-L67 WeakPolarHBondContact O-CB 3.2Å; D63-L67 VanDerWaalsContact O-CG 3.25Å; D63-L67 WeakPolarHBondContact O-CG 3.39Å; D63-L67 PolarHBondContact O-N 3.46Å |
| 64 | R | 95.6 | Very high | 96.1 | Very high | 166 Ų | 166 | 106.9 Ų | 106.9 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 176.2 | -67 | 163.9 | -173.1 | 171.3 | 3.2 | 111.4 | A60 F61 L62 L67 R68 | A60-R64 WeakPolarHBondContact O-CD 3.41Å; A60-R64 WeakPolarHBondContact O-CG 3.37Å; A60-R64 PolarHBondContact O-NE 3.33Å; F61-R64 WeakPolarHBondContact O-CA 3.49Å; F61-R64 WeakPolarHBondContact O-CB 3.17Å; F61-R64 PolarHBondContact O-N 2.95Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 2.8Å; R64-L67 PolarHBondContact O-N 2.81Å; R64-R68 WeakPolarHBondContact O-CG 3.42Å; R64-R68 PolarHBondContact O-N 3.18Å |
| 65 | E | 96.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 107.9 Ų | 107.9 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -43 | 173.6 | -67.1 | -154.7 | 133.5 | 0 | 0 | 111.9 | F61 L62 L67 R68 L69 | F61-E65 HydrophobicContact CD1-CG 4.28Å; F61-E65 HydrophobicContact CE1-CG 3.74Å; F61-E65 WeakPolarHBondContact CE1-OE2 3.35Å; F61-E65 HydrophobicContact CE2-CG 4.37Å; F61-E65 HydrophobicContact CZ-CG 3.79Å; F61-E65 VanDerWaalsContact CZ-OE1 3.27Å; F61-E65 WeakPolarHBondContact CZ-OE1 3.44Å; F61-E65 PolarHBondContact O-N 3.48Å; L62-E65 PolarHBondContact O-N 3.38Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.04Å; E65-R68 PolarHBondContact O-N 3.44Å; E65-L69 WeakPolarHBondContact O-CB 3.25Å; E65-L69 WeakPolarHBondContact O-CG 3.46Å; E65-L69 PolarHBondContact O-N 3.5Å |
| 66 | A | 96.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 111.8 Ų | 111.8 | 23% | 0.231 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -64.2 | -30.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L62 D63 R70 | L62-A66 WeakPolarHBondContact O-CB 3.26Å; L62-A66 PolarHBondContact O-N 2.9Å; D63-A66 PolarHBondContact O-N 2.85Å; A66-R70 VanDerWaalsContact C-NH1 3.25Å; A66-R70 WeakPolarHBondContact O-CB 3.46Å; A66-R70 WeakPolarHBondContact O-CD 3.45Å; A66-R70 WeakPolarHBondContact O-CG 3.21Å; A66-R70 PolarHBondContact O-N 3.41Å; A66-R70 VanDerWaalsContact O-N 3.16Å; A66-R70 PolarHBondContact O-NH1 2.76Å |
| 67 | L | 96.4 | Very high | 96.3 | Very high | 99 Ų | 99 | 109.8 Ų | 109.8 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -50.5 | 169.4 | -74.9 | 166.5 | 0 | 0 | 0 | 111.6 | D63 R64 E65 L69 R70 E71 | D63-L67 WeakPolarHBondContact O-CB 3.2Å; D63-L67 VanDerWaalsContact O-CG 3.25Å; D63-L67 WeakPolarHBondContact O-CG 3.39Å; D63-L67 PolarHBondContact O-N 3.46Å; R64-L67 PolarHBondContact O-N 2.81Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.04Å; L67-L69 PolarHBondContact O-N 3.1Å; L67-R70 WeakPolarHBondContact O-CB 3.2Å; L67-R70 PolarHBondContact O-N 3.07Å; L67-R70 VanDerWaalsContact O-N 3.1Å; L67-E71 PolarHBondContact O-N 2.93Å |
| 68 | R | 97 | Very high | 96.4 | Very high | 155 Ų | 155 | 106.3 Ų | 106.3 | 59% | 0.585 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.9 | -48.2 | 175.8 | -72.2 | 174.1 | 178.2 | 178.3 | -1 | 112.2 | R64 E65 R70 E71 E72 | R64-R68 WeakPolarHBondContact O-CG 3.42Å; R64-R68 PolarHBondContact O-N 3.18Å; E65-R68 PolarHBondContact O-N 3.44Å; R68-R70 VanDerWaalsContact C-N 3.29Å; R68-R70 PolarHBondContact O-N 3.03Å; R68-E71 WeakPolarHBondContact O-CB 3.08Å; R68-E71 PolarHBondContact O-N 3.34Å; R68-E72 WeakPolarHBondContact O-CG 3.15Å; R68-E72 PolarHBondContact O-N 3.23Å |
| 69 | L | 96.2 | Very high | 96.5 | Very high | 90 Ų | 90 | 106.2 Ų | 106.2 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -33.2 | 177.9 | -71.6 | 171.8 | 0 | 0 | 0 | 112.2 | E65 L67 N73 | E65-L69 WeakPolarHBondContact O-CB 3.25Å; E65-L69 WeakPolarHBondContact O-CG 3.46Å; E65-L69 PolarHBondContact O-N 3.5Å; L67-L69 PolarHBondContact O-N 3.1Å; L69-N73 VanDerWaalsContact O-CB 3.22Å; L69-N73 WeakPolarHBondContact O-CB 3.22Å; L69-N73 PolarHBondContact O-N 3.16Å; L69-N73 PolarHBondContact O-ND2 2.83Å |
| 70 | R | 96.9 | Very high | 96.6 | Very high | 149 Ų | 149 | 106.5 Ų | 106.5 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.8 | -39 | 172.5 | -73.4 | 162.5 | -167.8 | 128.5 | -5.7 | 111.5 | A66 L67 R68 R74 | A66-R70 VanDerWaalsContact C-NH1 3.25Å; A66-R70 WeakPolarHBondContact O-CB 3.46Å; A66-R70 WeakPolarHBondContact O-CD 3.45Å; A66-R70 WeakPolarHBondContact O-CG 3.21Å; A66-R70 PolarHBondContact O-N 3.41Å; A66-R70 VanDerWaalsContact O-N 3.16Å; A66-R70 PolarHBondContact O-NH1 2.76Å; L67-R70 WeakPolarHBondContact O-CB 3.2Å; L67-R70 PolarHBondContact O-N 3.07Å; L67-R70 VanDerWaalsContact O-N 3.1Å; R68-R70 VanDerWaalsContact C-N 3.29Å; R68-R70 PolarHBondContact O-N 3.03Å; R70-R74 WeakPolarHBondContact O-CB 3.48Å; R70-R74 PolarHBondContact O-N 2.85Å |
| 71 | E | 96.3 | Very high | 96.7 | Very high | 127 Ų | 127 | 107.9 Ų | 107.9 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -46.8 | 176.3 | -68.2 | 179.1 | 163.4 | 0 | 0 | 111.8 | L67 R68 R74 L75 | L67-E71 PolarHBondContact O-N 2.93Å; R68-E71 WeakPolarHBondContact O-CB 3.08Å; R68-E71 PolarHBondContact O-N 3.34Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 3.49Å; E71-L75 WeakPolarHBondContact O-CG 3.21Å; E71-L75 PolarHBondContact O-N 3.06Å |
| 72 | E | 96.2 | Very high | 96.7 | Very high | 96 Ų | 96 | 104.7 Ų | 104.7 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 175.2 | -71.5 | 175.5 | -176.1 | 0 | 0 | 111.7 | R68 R74 L75 Y76 | R68-E72 WeakPolarHBondContact O-CG 3.15Å; R68-E72 PolarHBondContact O-N 3.23Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 2.85Å; E72-L75 WeakPolarHBondContact O-CB 3.41Å; E72-L75 PolarHBondContact O-N 2.95Å; E72-Y76 HydrophobicContact CB-CE2 4.41Å; E72-Y76 WeakPolarHBondContact O-CD2 3.21Å; E72-Y76 PolarHBondContact O-N 3.22Å |
| 73 | N | 96.3 | Very high | 96.7 | Very high | 103 Ų | 103 | 106.8 Ų | 106.8 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -33.5 | 176.2 | -80 | -68.3 | 0 | 0 | 0 | 112.3 | L69 Y76 A77 | L69-N73 VanDerWaalsContact O-CB 3.22Å; L69-N73 WeakPolarHBondContact O-CB 3.22Å; L69-N73 PolarHBondContact O-N 3.16Å; L69-N73 PolarHBondContact O-ND2 2.83Å; N73-Y76 PolarHBondContact O-N 2.99Å; N73-A77 WeakPolarHBondContact O-CB 3.38Å; N73-A77 PolarHBondContact O-N 3.31Å |
| 74 | R | 97.1 | Very high | 96.8 | Very high | 201 Ų | 201 | 105 Ų | 105 | 76% | 0.758 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -37.9 | 172.5 | 179.8 | -178 | 179.4 | -173.8 | 0.4 | 112.1 | R70 E71 E72 S78 | R70-R74 WeakPolarHBondContact O-CB 3.48Å; R70-R74 PolarHBondContact O-N 2.85Å; E71-R74 WeakPolarHBondContact O-CB 3.48Å; E71-R74 PolarHBondContact O-N 3.49Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 2.85Å; R74-S78 WeakPolarHBondContact O-CB 3.41Å; R74-S78 PolarHBondContact O-N 3.42Å |
| 75 | L | 96.3 | Very high | 96.9 | Very high | 120 Ų | 120 | 103 Ų | 103 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.4 | -41.6 | 174.6 | -68 | 172 | 0 | 0 | 0 | 112 | E71 E72 S78 Y79 | E71-L75 WeakPolarHBondContact O-CG 3.21Å; E71-L75 PolarHBondContact O-N 3.06Å; E72-L75 WeakPolarHBondContact O-CB 3.41Å; E72-L75 PolarHBondContact O-N 2.95Å; L75-S78 PolarHBondContact O-N 3.32Å; L75-S78 PolarHBondContact O-OG 3.32Å; L75-Y79 PolarHBondContact O-N 2.98Å |
| 76 | Y | 96.8 | Very high | 96.9 | Very high | 155 Ų | 155 | 106.5 Ų | 106.5 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.9 | -41.9 | 173.8 | -74.4 | -63.7 | 0 | 0 | 0 | 111.9 | E72 N73 S78 Y79 V80 | E72-Y76 HydrophobicContact CB-CE2 4.41Å; E72-Y76 WeakPolarHBondContact O-CD2 3.21Å; E72-Y76 PolarHBondContact O-N 3.22Å; N73-Y76 PolarHBondContact O-N 2.99Å; Y76-S78 PolarHBondContact O-N 2.96Å; Y76-Y79 PolarHBondContact O-N 3.37Å; Y76-V80 WeakPolarHBondContact O-CB 3.46Å; Y76-V80 VanDerWaalsContact O-CG2 3.32Å; Y76-V80 WeakPolarHBondContact O-CG2 3.43Å; Y76-V80 PolarHBondContact O-N 3.21Å |
| 77 | A | 97.7 | Very high | 97 | Very high | 59 Ų | 59 | 108.5 Ų | 108.5 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N73 S81 | N73-A77 WeakPolarHBondContact O-CB 3.38Å; N73-A77 PolarHBondContact O-N 3.31Å; A77-S81 WeakPolarHBondContact O-CB 3.39Å; A77-S81 PolarHBondContact O-N 3.03Å; A77-S81 PolarHBondContact O-OG 2.87Å |
| 78 | S | 97.1 | Very high | 97 | Very high | 64 Ų | 64 | 106 Ų | 106 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 175.6 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | R74 L75 Y76 S81 A82 | R74-S78 WeakPolarHBondContact O-CB 3.41Å; R74-S78 PolarHBondContact O-N 3.42Å; L75-S78 PolarHBondContact O-N 3.32Å; L75-S78 PolarHBondContact O-OG 3.32Å; Y76-S78 PolarHBondContact O-N 2.96Å; S78-S81 WeakPolarHBondContact CA-OG 3.32Å; S78-S81 PolarHBondContact O-OG 2.69Å; S78-S81 VanDerWaalsContact O-OG 3.12Å; S78-A82 WeakPolarHBondContact O-CB 3.37Å; S78-A82 PolarHBondContact O-N 2.86Å |
| 79 | Y | 97.6 | Very high | 97 | Very high | 119 Ų | 119 | 102.3 Ų | 102.3 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 172.3 | 171.9 | -91.4 | 0 | 0 | 0 | 112.5 | L75 Y76 A82 R83 | L75-Y79 PolarHBondContact O-N 2.98Å; Y76-Y79 PolarHBondContact O-N 3.37Å; Y79-A82 PolarHBondContact O-N 2.96Å; Y79-R83 WeakPolarHBondContact O-CB 3.47Å; Y79-R83 PolarHBondContact O-N 2.82Å; Y79-R83 PolarHBondContact OH-NH1 2.98Å |
| 80 | V | 98 | Very high | 97.1 | Very high | 89 Ų | 89 | 100.3 Ų | 100.3 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | -177.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | Y76 R83 A84 | Y76-V80 WeakPolarHBondContact O-CB 3.46Å; Y76-V80 VanDerWaalsContact O-CG2 3.32Å; Y76-V80 WeakPolarHBondContact O-CG2 3.43Å; Y76-V80 PolarHBondContact O-N 3.21Å; V80-R83 PolarHBondContact O-N 2.87Å; V80-A84 WeakPolarHBondContact O-CB 3.5Å; V80-A84 PolarHBondContact O-N 3.47Å |
| 81 | S | 97 | Very high | 97.1 | Very high | 70 Ų | 70 | 98 Ų | 98 | 49% | 0.49 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.8 | 54 | 0 | 0 | 0 | 0 | 112.2 | A77 S78 R83 A84 Q85 | A77-S81 WeakPolarHBondContact O-CB 3.39Å; A77-S81 PolarHBondContact O-N 3.03Å; A77-S81 PolarHBondContact O-OG 2.87Å; S78-S81 WeakPolarHBondContact CA-OG 3.32Å; S78-S81 PolarHBondContact O-OG 2.69Å; S78-S81 VanDerWaalsContact O-OG 3.12Å; S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.42Å; S81-A84 PolarHBondContact O-N 3.18Å; S81-Q85 VanDerWaalsContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CB 3.33Å; S81-Q85 PolarHBondContact O-N 3.32Å |
| 82 | A | 97.4 | Very high | 97.1 | Very high | 36 Ų | 36 | 95.3 Ų | 95.3 | 30% | 0.298 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -26.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S78 Y79 R86 | S78-A82 WeakPolarHBondContact O-CB 3.37Å; S78-A82 PolarHBondContact O-N 2.86Å; Y79-A82 PolarHBondContact O-N 2.96Å; A82-R86 WeakPolarHBondContact O-CG 3.18Å; A82-R86 PolarHBondContact O-N 3.32Å; A82-R86 PolarHBondContact O-NE 2.95Å |
| 83 | R | 97.3 | Very high | 97.2 | Very high | 143 Ų | 143 | 98.6 Ų | 98.6 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -75.3 | -47.8 | 171 | -176.8 | 172 | 176 | 158.6 | -4.6 | 111.2 | Y79 V80 S81 Q85 R86 C87 | Y79-R83 WeakPolarHBondContact O-CB 3.47Å; Y79-R83 PolarHBondContact O-N 2.82Å; Y79-R83 PolarHBondContact OH-NH1 2.98Å; V80-R83 PolarHBondContact O-N 2.87Å; S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.42Å; R83-Q85 VanDerWaalsContact C-N 3.34Å; R83-Q85 PolarHBondContact O-N 2.83Å; R83-R86 PolarHBondContact O-N 3.2Å; R83-C87 PolarHBondContact O-N 3.48Å; R83-C87 PolarHBondContact O-SG 3.17Å |
| 84 | A | 97.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V80 S81 R86 C87 A88 | V80-A84 WeakPolarHBondContact O-CB 3.5Å; V80-A84 PolarHBondContact O-N 3.47Å; S81-A84 PolarHBondContact O-N 3.18Å; A84-R86 PolarHBondContact O-N 3.44Å; A84-C87 PolarHBondContact O-N 2.82Å; A84-A88 WeakPolarHBondContact O-CB 3.3Å; A84-A88 PolarHBondContact O-N 3.27Å |
| 85 | Q | 96.9 | Very high | 97.3 | Very high | 124 Ų | 124 | 91.9 Ų | 91.9 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 175.1 | -169.1 | -177.2 | 23.9 | 0 | 0 | 112 | S81 R83 A88 N89 | S81-Q85 VanDerWaalsContact O-CB 3.3Å; S81-Q85 WeakPolarHBondContact O-CB 3.33Å; S81-Q85 PolarHBondContact O-N 3.32Å; R83-Q85 VanDerWaalsContact C-N 3.34Å; R83-Q85 PolarHBondContact O-N 2.83Å; Q85-A88 PolarHBondContact O-N 3.31Å; Q85-N89 VanDerWaalsContact O-CB 3.29Å; Q85-N89 WeakPolarHBondContact O-CB 3.37Å; Q85-N89 PolarHBondContact O-N 2.88Å; Q85-N89 PolarHBondContact O-ND2 2.97Å; Q85-N89 PolarHBondContact O-OD1 3.12Å |
| 86 | R | 97.4 | Very high | 97.3 | Very high | 152 Ų | 152 | 91.1 Ų | 91.1 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.7 | -39.7 | 173.6 | -80.6 | 177 | -71.8 | 180 | -1.2 | 112.3 | A82 R83 A84 A90 | A82-R86 WeakPolarHBondContact O-CG 3.18Å; A82-R86 PolarHBondContact O-N 3.32Å; A82-R86 PolarHBondContact O-NE 2.95Å; R83-R86 PolarHBondContact O-N 3.2Å; A84-R86 PolarHBondContact O-N 3.44Å; R86-A90 WeakPolarHBondContact O-CB 3.4Å; R86-A90 PolarHBondContact O-N 2.93Å |
| 87 | C | 97 | Very high | 97.4 | Very high | 69 Ų | 69 | 88.9 Ų | 88.9 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 174.4 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | R83 A84 A90 I91 | R83-C87 PolarHBondContact O-N 3.48Å; R83-C87 PolarHBondContact O-SG 3.17Å; A84-C87 PolarHBondContact O-N 2.82Å; C87-A90 WeakPolarHBondContact O-CB 3.4Å; C87-A90 PolarHBondContact O-N 3.2Å; C87-A90 VanDerWaalsContact O-N 3.17Å; C87-I91 WeakPolarHBondContact O-CG1 3.29Å; C87-I91 PolarHBondContact O-N 3.31Å |
| 88 | A | 97.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 90.1 Ų | 90.1 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A84 Q85 A90 I91 V92 | A84-A88 WeakPolarHBondContact O-CB 3.3Å; A84-A88 PolarHBondContact O-N 3.27Å; Q85-A88 PolarHBondContact O-N 3.31Å; A88-A90 PolarHBondContact O-N 3.42Å; A88-I91 PolarHBondContact O-N 3.49Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.03Å |
| 89 | N | 97.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 94.8 Ų | 94.8 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -30.6 | 175.8 | -68.2 | -4.1 | 0 | 0 | 0 | 112.6 | Q85 R93 | Q85-N89 VanDerWaalsContact O-CB 3.29Å; Q85-N89 WeakPolarHBondContact O-CB 3.37Å; Q85-N89 PolarHBondContact O-N 2.88Å; Q85-N89 PolarHBondContact O-ND2 2.97Å; Q85-N89 PolarHBondContact O-OD1 3.12Å; N89-R93 WeakPolarHBondContact O-CD 3.47Å; N89-R93 WeakPolarHBondContact O-CG 3.21Å; N89-R93 PolarHBondContact O-N 3.05Å |
| 90 | A | 97.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 93.8 Ų | 93.8 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.8 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R86 C87 A88 R93 L94 | R86-A90 WeakPolarHBondContact O-CB 3.4Å; R86-A90 PolarHBondContact O-N 2.93Å; C87-A90 WeakPolarHBondContact O-CB 3.4Å; C87-A90 PolarHBondContact O-N 3.2Å; C87-A90 VanDerWaalsContact O-N 3.17Å; A88-A90 PolarHBondContact O-N 3.42Å; A90-R93 PolarHBondContact O-N 3.3Å; A90-L94 WeakPolarHBondContact O-CG 3.41Å; A90-L94 PolarHBondContact O-N 3.37Å |
| 91 | I | 97.3 | Very high | 97.4 | Very high | 100 Ų | 100 | 93.3 Ų | 93.3 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 175.1 | -67.2 | 162.7 | 0 | 0 | 0 | 110.2 | C87 A88 R93 L94 D95 | C87-I91 WeakPolarHBondContact O-CG1 3.29Å; C87-I91 PolarHBondContact O-N 3.31Å; A88-I91 PolarHBondContact O-N 3.49Å; I91-R93 VanDerWaalsContact C-N 3.32Å; I91-R93 PolarHBondContact O-N 2.85Å; I91-L94 PolarHBondContact O-N 3.12Å; I91-L94 VanDerWaalsContact O-N 3.12Å; I91-D95 PolarHBondContact O-N 3.45Å |
| 92 | V | 97.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 94.6 Ų | 94.6 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 178.9 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | A88 D95 E96 | A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.03Å; V92-D95 PolarHBondContact O-N 3.27Å; V92-E96 HydrophobicContact CG1-CG 4.48Å; V92-E96 WeakPolarHBondContact CG1-OE1 3.26Å; V92-E96 WeakPolarHBondContact O-CB 3.34Å; V92-E96 VanDerWaalsContact O-CG 3.27Å; V92-E96 WeakPolarHBondContact O-CG 3.34Å; V92-E96 PolarHBondContact O-N 3.35Å |
| 93 | R | 97.7 | Very high | 97.5 | Very high | 165 Ų | 165 | 95.6 Ų | 95.6 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 176.2 | -74.4 | 169.7 | 179.9 | -172.6 | -2.2 | 112.9 | N89 A90 I91 E96 Q97 | N89-R93 WeakPolarHBondContact O-CD 3.47Å; N89-R93 WeakPolarHBondContact O-CG 3.21Å; N89-R93 PolarHBondContact O-N 3.05Å; A90-R93 PolarHBondContact O-N 3.3Å; I91-R93 VanDerWaalsContact C-N 3.32Å; I91-R93 PolarHBondContact O-N 2.85Å; R93-E96 PolarHBondContact O-N 2.8Å; R93-Q97 WeakPolarHBondContact O-CB 3.44Å; R93-Q97 VanDerWaalsContact O-CG 3.24Å; R93-Q97 WeakPolarHBondContact O-CG 3.45Å; R93-Q97 PolarHBondContact O-N 3.21Å; R93-Q97 PolarHBondContact O-OE1 3.37Å |
| 94 | L | 97.6 | Very high | 97.6 | Very high | 96 Ų | 96 | 93.9 Ų | 93.9 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 175.8 | -72.7 | 168.3 | 0 | 0 | 0 | 111.3 | A90 I91 Q97 N98 | A90-L94 WeakPolarHBondContact O-CG 3.41Å; A90-L94 PolarHBondContact O-N 3.37Å; I91-L94 PolarHBondContact O-N 3.12Å; I91-L94 VanDerWaalsContact O-N 3.12Å; L94-Q97 PolarHBondContact O-N 3.01Å; L94-N98 VanDerWaalsContact O-CB 3.26Å; L94-N98 WeakPolarHBondContact O-CB 3.27Å; L94-N98 PolarHBondContact O-N 3.33Å; L94-N98 PolarHBondContact O-ND2 2.94Å |
| 95 | D | 97.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 94.2 Ų | 94.2 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 175 | -73.7 | -21.7 | 0 | 0 | 0 | 112.6 | I91 V92 R99 | I91-D95 PolarHBondContact O-N 3.45Å; V92-D95 PolarHBondContact O-N 3.27Å; D95-R99 WeakPolarHBondContact O-CB 3.47Å; D95-R99 WeakPolarHBondContact O-CD 3.24Å; D95-R99 WeakPolarHBondContact O-CG 3.18Å; D95-R99 PolarHBondContact O-N 3.03Å |
| 96 | E | 97.4 | Very high | 97.7 | Very high | 104 Ų | 104 | 93.9 Ų | 93.9 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 171.3 | -74.5 | 165.7 | 175.6 | 0 | 0 | 111.3 | V92 R93 R99 V100 | V92-E96 HydrophobicContact CG1-CG 4.48Å; V92-E96 WeakPolarHBondContact CG1-OE1 3.26Å; V92-E96 WeakPolarHBondContact O-CB 3.34Å; V92-E96 VanDerWaalsContact O-CG 3.27Å; V92-E96 WeakPolarHBondContact O-CG 3.34Å; V92-E96 PolarHBondContact O-N 3.35Å; R93-E96 PolarHBondContact O-N 2.8Å; E96-R99 PolarHBondContact O-N 2.88Å; E96-V100 WeakPolarHBondContact O-CG2 3.24Å; E96-V100 PolarHBondContact O-N 3.01Å; E96-V100 VanDerWaalsContact O-N 3.13Å |
| 97 | Q | 97.9 | Very high | 97.7 | Very high | 107 Ų | 107 | 93.9 Ų | 93.9 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -51.4 | 175.7 | -72.3 | 170.8 | -48.5 | 0 | 0 | 111.4 | R93 L94 R99 V100 D101 | R93-Q97 WeakPolarHBondContact O-CB 3.44Å; R93-Q97 VanDerWaalsContact O-CG 3.24Å; R93-Q97 WeakPolarHBondContact O-CG 3.45Å; R93-Q97 PolarHBondContact O-N 3.21Å; R93-Q97 PolarHBondContact O-OE1 3.37Å; L94-Q97 PolarHBondContact O-N 3.01Å; Q97-R99 VanDerWaalsContact C-N 3.25Å; Q97-R99 PolarHBondContact O-N 2.86Å; Q97-V100 PolarHBondContact O-N 2.93Å; Q97-D101 PolarHBondContact O-N 3.13Å |
| 98 | N | 97.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 94.6 Ų | 94.6 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.4 | -39.2 | 176 | -73.5 | -33.4 | 0 | 0 | 0 | 112.3 | L94 L102 | L94-N98 VanDerWaalsContact O-CB 3.26Å; L94-N98 WeakPolarHBondContact O-CB 3.27Å; L94-N98 PolarHBondContact O-N 3.33Å; L94-N98 PolarHBondContact O-ND2 2.94Å; N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.48Å; N98-L102 WeakPolarHBondContact O-CD1 3.4Å; N98-L102 WeakPolarHBondContact O-CG 3.18Å; N98-L102 PolarHBondContact O-N 3.41Å |
| 99 | R | 98.1 | Very high | 97.8 | Very high | 163 Ų | 163 | 100.3 Ų | 100.3 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 175.8 | -77.5 | 170.2 | -173.9 | 124 | 3.9 | 112.4 | D95 E96 Q97 A103 | D95-R99 WeakPolarHBondContact O-CB 3.47Å; D95-R99 WeakPolarHBondContact O-CD 3.24Å; D95-R99 WeakPolarHBondContact O-CG 3.18Å; D95-R99 PolarHBondContact O-N 3.03Å; E96-R99 PolarHBondContact O-N 2.88Å; Q97-R99 VanDerWaalsContact C-N 3.25Å; Q97-R99 PolarHBondContact O-N 2.86Å; R99-A103 VanDerWaalsContact O-CB 3.27Å; R99-A103 WeakPolarHBondContact O-CB 3.27Å; R99-A103 PolarHBondContact O-N 3.34Å |
| 100 | V | 97.8 | Very high | 97.9 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67 | -46 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | E96 Q97 A103 Q104 | E96-V100 WeakPolarHBondContact O-CG2 3.24Å; E96-V100 PolarHBondContact O-N 3.01Å; E96-V100 VanDerWaalsContact O-N 3.13Å; Q97-V100 PolarHBondContact O-N 2.93Å; V100-A103 PolarHBondContact O-N 2.92Å; V100-Q104 WeakPolarHBondContact O-CB 3.5Å; V100-Q104 PolarHBondContact O-N 2.87Å |
| 101 | D | 97.8 | Very high | 97.9 | Very high | 80 Ų | 80 | 101.3 Ų | 101.3 | 43% | 0.428 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 179.7 | -65.2 | -20.6 | 0 | 0 | 0 | 111.3 | Q97 Q104 I105 | Q97-D101 PolarHBondContact O-N 3.13Å; D101-Q104 PolarHBondContact O-N 3.25Å; D101-I105 WeakPolarHBondContact O-CB 3.49Å; D101-I105 VanDerWaalsContact O-CG1 3.27Å; D101-I105 WeakPolarHBondContact O-CG1 3.45Å; D101-I105 PolarHBondContact O-N 3.03Å |
| 102 | L | 98.1 | Very high | 97.9 | Very high | 96 Ų | 96 | 101 Ų | 101 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.3 | -75.5 | 170.2 | 0 | 0 | 0 | 111.6 | N98 Q104 I105 H106 | N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.48Å; N98-L102 WeakPolarHBondContact O-CD1 3.4Å; N98-L102 WeakPolarHBondContact O-CG 3.18Å; N98-L102 PolarHBondContact O-N 3.41Å; L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 3.41Å; L102-I105 PolarHBondContact O-N 2.85Å; L102-H106 WeakPolarHBondContact O-CB 3.35Å; L102-H106 PolarHBondContact O-CD2 2.99Å; L102-H106 PolarHBondContact O-N 2.98Å |
| 103 | A | 97.9 | Very high | 98 | Very high | 58 Ų | 58 | 100.4 Ų | 100.4 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R99 V100 H106 W107 | R99-A103 VanDerWaalsContact O-CB 3.27Å; R99-A103 WeakPolarHBondContact O-CB 3.27Å; R99-A103 PolarHBondContact O-N 3.34Å; V100-A103 PolarHBondContact O-N 2.92Å; A103-H106 PolarHBondContact O-N 2.98Å; A103-W107 WeakPolarHBondContact O-CB 3.27Å; A103-W107 PolarHBondContact O-N 2.89Å |
| 104 | Q | 98.3 | Very high | 98 | Very high | 106 Ų | 106 | 96.2 Ų | 96.2 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.2 | -171.4 | 179.5 | 54.6 | 0 | 0 | 111.8 | V100 D101 L102 W107 Q108 | V100-Q104 WeakPolarHBondContact O-CB 3.5Å; V100-Q104 PolarHBondContact O-N 2.87Å; D101-Q104 PolarHBondContact O-N 3.25Å; L102-Q104 VanDerWaalsContact C-N 3.31Å; L102-Q104 PolarHBondContact O-N 3.41Å; Q104-W107 PolarHBondContact O-N 3.25Å; Q104-Q108 WeakPolarHBondContact O-CB 3.31Å; Q104-Q108 VanDerWaalsContact O-CG 3.31Å; Q104-Q108 WeakPolarHBondContact O-CG 3.43Å; Q104-Q108 PolarHBondContact O-N 3.04Å |
| 105 | I | 98.1 | Very high | 98 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 34% | 0.338 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.4 | -70.1 | 164.4 | 0 | 0 | 0 | 111.1 | D101 L102 R109 | D101-I105 WeakPolarHBondContact O-CB 3.49Å; D101-I105 VanDerWaalsContact O-CG1 3.27Å; D101-I105 WeakPolarHBondContact O-CG1 3.45Å; D101-I105 PolarHBondContact O-N 3.03Å; L102-I105 PolarHBondContact O-N 2.85Å; I105-R109 WeakPolarHBondContact O-CB 3.2Å; I105-R109 WeakPolarHBondContact O-CG 3.46Å; I105-R109 PolarHBondContact O-N 3.42Å |
| 106 | H | 98.4 | Very high | 98 | Very high | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.3 | -77.9 | -65.1 | 0 | 0 | 0 | 112 | L102 A103 R109 A110 | L102-H106 WeakPolarHBondContact O-CB 3.35Å; L102-H106 PolarHBondContact O-CD2 2.99Å; L102-H106 PolarHBondContact O-N 2.98Å; A103-H106 PolarHBondContact O-N 2.98Å; H106-R109 PolarHBondContact O-N 2.89Å; H106-A110 WeakPolarHBondContact O-CB 3.31Å; H106-A110 PolarHBondContact O-N 2.91Å |
| 107 | W | 98.4 | Very high | 98.1 | Very high | 152 Ų | 152 | 99.6 Ų | 99.6 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -50.6 | 175.5 | -179.6 | 80.4 | 0 | 0 | 0 | 111.9 | A103 Q104 R109 A110 E111 | A103-W107 WeakPolarHBondContact O-CB 3.27Å; A103-W107 PolarHBondContact O-N 2.89Å; Q104-W107 PolarHBondContact O-N 3.25Å; W107-R109 VanDerWaalsContact C-N 3.29Å; W107-R109 PolarHBondContact O-N 3.29Å; W107-A110 WeakPolarHBondContact O-CB 3.19Å; W107-A110 PolarHBondContact O-N 2.93Å; W107-E111 HydrophobicContact CD2-CG 4.34Å; W107-E111 HydrophobicContact CH2-CG 4.45Å; W107-E111 WeakPolarHBondContact CH2-OE1 3.5Å; W107-E111 VanDerWaalsContact CH2-OE2 3.22Å; W107-E111 WeakPolarHBondContact CH2-OE2 3.35Å; W107-E111 HydrophobicContact CZ2-CG 4.15Å; W107-E111 WeakPolarHBondContact CZ2-OE1 3.47Å; W107-E111 WeakPolarHBondContact CZ3-OE2 3.18Å; W107-E111 PolarHBondContact O-N 3.33Å |
| 108 | Q | 98.1 | Very high | 98.1 | Very high | 85 Ų | 85 | 96.7 Ų | 96.7 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | 175.4 | -72.9 | 173.5 | -0.6 | 0 | 0 | 112.4 | Q104 L112 | Q104-Q108 WeakPolarHBondContact O-CB 3.31Å; Q104-Q108 VanDerWaalsContact O-CG 3.31Å; Q104-Q108 WeakPolarHBondContact O-CG 3.43Å; Q104-Q108 PolarHBondContact O-N 3.04Å; Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 VanDerWaalsContact O-CG 3.31Å; Q108-L112 WeakPolarHBondContact O-CG 3.41Å; Q108-L112 PolarHBondContact O-N 2.99Å |
| 109 | R | 98.3 | Very high | 98.1 | Very high | 166 Ų | 166 | 100.1 Ų | 100.1 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -39.8 | 175.1 | -75.6 | 172.5 | -178.6 | -169.7 | 3.2 | 112.1 | I105 H106 W107 A113 | I105-R109 WeakPolarHBondContact O-CB 3.2Å; I105-R109 WeakPolarHBondContact O-CG 3.46Å; I105-R109 PolarHBondContact O-N 3.42Å; H106-R109 PolarHBondContact O-N 2.89Å; W107-R109 VanDerWaalsContact C-N 3.29Å; W107-R109 PolarHBondContact O-N 3.29Å; R109-A113 WeakPolarHBondContact O-CB 3.22Å; R109-A113 PolarHBondContact O-N 3.45Å |
| 110 | A | 98.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 96.9 Ų | 96.9 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H106 W107 S114 | H106-A110 WeakPolarHBondContact O-CB 3.31Å; H106-A110 PolarHBondContact O-N 2.91Å; W107-A110 WeakPolarHBondContact O-CB 3.19Å; W107-A110 PolarHBondContact O-N 2.93Å; A110-S114 PolarHBondContact O-N 2.83Å; A110-S114 PolarHBondContact O-OG 3.45Å |
| 111 | E | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 95.8 Ų | 95.8 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -52.1 | 172.2 | -70.9 | -158.5 | 131.3 | 0 | 0 | 111.5 | W107 A113 S114 L115 | W107-E111 HydrophobicContact CD2-CG 4.34Å; W107-E111 HydrophobicContact CH2-CG 4.45Å; W107-E111 WeakPolarHBondContact CH2-OE1 3.5Å; W107-E111 VanDerWaalsContact CH2-OE2 3.22Å; W107-E111 WeakPolarHBondContact CH2-OE2 3.35Å; W107-E111 HydrophobicContact CZ2-CG 4.15Å; W107-E111 WeakPolarHBondContact CZ2-OE1 3.47Å; W107-E111 WeakPolarHBondContact CZ3-OE2 3.18Å; W107-E111 PolarHBondContact O-N 3.33Å; E111-A113 VanDerWaalsContact C-N 3.32Å; E111-A113 PolarHBondContact O-N 2.86Å; E111-S114 PolarHBondContact O-N 3.13Å; E111-S114 PolarHBondContact O-OG 3.47Å; E111-L115 WeakPolarHBondContact O-CB 3.4Å; E111-L115 WeakPolarHBondContact O-CG 3.46Å; E111-L115 PolarHBondContact O-N 2.92Å |
| 112 | L | 98 | Very high | 98.1 | Very high | 94 Ų | 94 | 93.4 Ų | 93.4 | 49% | 0.492 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 178.8 | -70.4 | 172.2 | 0 | 0 | 0 | 111.5 | Q108 L115 Y116 | Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 VanDerWaalsContact O-CG 3.31Å; Q108-L112 WeakPolarHBondContact O-CG 3.41Å; Q108-L112 PolarHBondContact O-N 2.99Å; L112-L115 PolarHBondContact O-N 3.39Å; L112-Y116 HydrophobicContact CD2-CE2 4.36Å; L112-Y116 WeakPolarHBondContact O-CD2 3.49Å; L112-Y116 PolarHBondContact O-N 2.96Å |
| 113 | A | 98.1 | Very high | 98.2 | Very high | 59 Ų | 59 | 93.2 Ų | 93.2 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R109 E111 Y116 H117 | R109-A113 WeakPolarHBondContact O-CB 3.22Å; R109-A113 PolarHBondContact O-N 3.45Å; E111-A113 VanDerWaalsContact C-N 3.32Å; E111-A113 PolarHBondContact O-N 2.86Å; A113-Y116 PolarHBondContact O-N 3.22Å; A113-H117 WeakPolarHBondContact O-CB 3.11Å; A113-H117 PolarHBondContact O-N 3.38Å |
| 114 | S | 97.9 | Very high | 98.2 | Very high | 77 Ų | 77 | 97.3 Ų | 97.3 | 54% | 0.538 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 178.2 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | A110 E111 G118 | A110-S114 PolarHBondContact O-N 2.83Å; A110-S114 PolarHBondContact O-OG 3.45Å; E111-S114 PolarHBondContact O-N 3.13Å; E111-S114 PolarHBondContact O-OG 3.47Å; S114-G118 PolarHBondContact O-N 3.37Å |
| 115 | L | 98.1 | Very high | 98.2 | Very high | 97 Ų | 97 | 95 Ų | 95 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 175.4 | -71.4 | 171.6 | 0 | 0 | 0 | 113 | E111 L112 R119 | E111-L115 WeakPolarHBondContact O-CB 3.4Å; E111-L115 WeakPolarHBondContact O-CG 3.46Å; E111-L115 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 3.39Å; L115-R119 WeakPolarHBondContact O-CD 3.23Å; L115-R119 VanDerWaalsContact O-CG 3.23Å; L115-R119 WeakPolarHBondContact O-CG 3.4Å; L115-R119 PolarHBondContact O-N 3.49Å |
| 116 | Y | 98 | Very high | 98.2 | Very high | 131 Ų | 131 | 97.9 Ų | 97.9 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.3 | -40.2 | 175.8 | -77.6 | -66.5 | 0 | 0 | 0 | 112.2 | L112 A113 G118 R119 E120 | L112-Y116 HydrophobicContact CD2-CE2 4.36Å; L112-Y116 WeakPolarHBondContact O-CD2 3.49Å; L112-Y116 PolarHBondContact O-N 2.96Å; A113-Y116 PolarHBondContact O-N 3.22Å; Y116-G118 PolarHBondContact O-N 2.99Å; Y116-R119 WeakPolarHBondContact O-CB 3.17Å; Y116-R119 PolarHBondContact O-N 3.38Å; Y116-R119 VanDerWaalsContact O-N 3.13Å; Y116-E120 PolarHBondContact O-N 2.99Å |
| 117 | H | 98.5 | Very high | 98.2 | Very high | 110 Ų | 110 | 97.1 Ų | 97.1 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 175.7 | -174.5 | 6.1 | 0 | 0 | 0 | 111.8 | A113 R119 E120 D121 | A113-H117 WeakPolarHBondContact O-CB 3.11Å; A113-H117 PolarHBondContact O-N 3.38Å; H117-R119 VanDerWaalsContact C-N 3.29Å; H117-R119 PolarHBondContact O-N 3.14Å; H117-E120 WeakPolarHBondContact O-CB 3.33Å; H117-E120 PolarHBondContact O-N 3.2Å; H117-D121 IonicContact CE1-OD1 2.73Å; H117-D121 PolarHBondContact CE1-OD1 3.34Å; H117-D121 IonicContact CE1-OD2 2.71Å; H117-D121 PolarHBondContact CE1-OD2 3.16Å; H117-D121 IonicContact ND1-OD1 3.37Å; H117-D121 PolarHBondContact ND1-OD1 2.7Å; H117-D121 IonicContact ND1-OD2 3.07Å; H117-D121 PolarHBondContact ND1-OD2 3.07Å; H117-D121 IonicContact NE2-OD2 3.51Å; H117-D121 VanDerWaalsContact O-CG 3.29Å; H117-D121 PolarHBondContact O-N 3.35Å |
| 118 | G | 97.6 | Very high | 98.2 | Very high | 46 Ų | 46 | 95.2 Ų | 95.2 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -28.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S114 Y116 G122 | S114-G118 PolarHBondContact O-N 3.37Å; Y116-G118 PolarHBondContact O-N 2.99Å; G118-G122 PolarHBondContact O-N 2.99Å; G118-G122 VanDerWaalsContact O-N 3.16Å |
| 119 | R | 98.3 | Very high | 98.2 | Very high | 156 Ų | 156 | 95.9 Ų | 95.9 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.2 | -43.3 | 171.4 | -74.1 | 169.8 | -178.7 | -170.5 | 1.2 | 111.7 | L115 Y116 H117 G122 V123 | L115-R119 WeakPolarHBondContact O-CD 3.23Å; L115-R119 VanDerWaalsContact O-CG 3.23Å; L115-R119 WeakPolarHBondContact O-CG 3.4Å; L115-R119 PolarHBondContact O-N 3.49Å; Y116-R119 WeakPolarHBondContact O-CB 3.17Å; Y116-R119 PolarHBondContact O-N 3.38Å; Y116-R119 VanDerWaalsContact O-N 3.13Å; H117-R119 VanDerWaalsContact C-N 3.29Å; H117-R119 PolarHBondContact O-N 3.14Å; R119-G122 PolarHBondContact O-N 3.36Å; R119-V123 WeakPolarHBondContact O-CG2 3.41Å; R119-V123 PolarHBondContact O-N 3.27Å |
| 120 | E | 98 | Very high | 98.3 | Very high | 96 Ų | 96 | 93.1 Ų | 93.1 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 174.6 | -78.8 | -171.4 | -137.3 | 0 | 0 | 111.1 | Y116 H117 G122 V123 R124 | Y116-E120 PolarHBondContact O-N 2.99Å; H117-E120 WeakPolarHBondContact O-CB 3.33Å; H117-E120 PolarHBondContact O-N 3.2Å; E120-G122 VanDerWaalsContact C-N 3.32Å; E120-G122 PolarHBondContact O-N 3Å; E120-V123 PolarHBondContact O-N 3.49Å; E120-V123 VanDerWaalsContact O-N 3.14Å; E120-R124 WeakPolarHBondContact O-CB 3.47Å; E120-R124 WeakPolarHBondContact O-CD 3.39Å; E120-R124 WeakPolarHBondContact O-CG 3.16Å; E120-R124 PolarHBondContact O-N 3.45Å; E120-R124 IonicContact OE2-CZ 3.54Å; E120-R124 IonicContact OE2-NE 3.56Å; E120-R124 IonicContact OE2-NH2 2.7Å; E120-R124 PolarHBondContact OE2-NH2 3.13Å |
| 121 | D | 98.3 | Very high | 98.3 | Very high | 74 Ų | 74 | 95.2 Ų | 95.2 | 40% | 0.396 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 178.9 | -66.3 | -17.6 | 0 | 0 | 0 | 111.7 | H117 V123 R124 A125 | H117-D121 IonicContact CE1-OD1 2.73Å; H117-D121 PolarHBondContact CE1-OD1 3.34Å; H117-D121 IonicContact CE1-OD2 2.71Å; H117-D121 PolarHBondContact CE1-OD2 3.16Å; H117-D121 IonicContact ND1-OD1 3.37Å; H117-D121 PolarHBondContact ND1-OD1 2.7Å; H117-D121 IonicContact ND1-OD2 3.07Å; H117-D121 PolarHBondContact ND1-OD2 3.07Å; H117-D121 IonicContact NE2-OD2 3.51Å; H117-D121 VanDerWaalsContact O-CG 3.29Å; H117-D121 PolarHBondContact O-N 3.35Å; D121-V123 PolarHBondContact O-N 2.78Å; D121-R124 PolarHBondContact O-N 2.88Å; D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.32Å; D121-A125 PolarHBondContact O-N 2.83Å |
| 122 | G | 98.4 | Very high | 98.3 | Very high | 30 Ų | 30 | 93.3 Ų | 93.3 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G118 R119 E120 Q126 | G118-G122 PolarHBondContact O-N 2.99Å; G118-G122 VanDerWaalsContact O-N 3.16Å; R119-G122 PolarHBondContact O-N 3.36Å; E120-G122 VanDerWaalsContact C-N 3.32Å; E120-G122 PolarHBondContact O-N 3Å; G122-Q126 VanDerWaalsContact O-CG 3.26Å; G122-Q126 WeakPolarHBondContact O-CG 3.26Å; G122-Q126 PolarHBondContact O-N 2.88Å; G122-Q126 VanDerWaalsContact O-N 3.13Å |
| 123 | V | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 93.9 Ų | 93.9 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73 | -40.1 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | R119 E120 D121 A125 Q126 L127 | R119-V123 WeakPolarHBondContact O-CG2 3.41Å; R119-V123 PolarHBondContact O-N 3.27Å; E120-V123 PolarHBondContact O-N 3.49Å; E120-V123 VanDerWaalsContact O-N 3.14Å; D121-V123 PolarHBondContact O-N 2.78Å; V123-A125 VanDerWaalsContact C-N 3.35Å; V123-A125 PolarHBondContact O-N 3.41Å; V123-Q126 PolarHBondContact O-N 3.42Å; V123-L127 WeakPolarHBondContact O-CB 3.33Å; V123-L127 PolarHBondContact O-N 3.01Å |
| 124 | R | 98.6 | Very high | 98.3 | Very high | 143 Ų | 143 | 93.5 Ų | 93.5 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.8 | -69.9 | 162 | -171.9 | -109.1 | 9.1 | 110.7 | E120 D121 L127 L128 | E120-R124 WeakPolarHBondContact O-CB 3.47Å; E120-R124 WeakPolarHBondContact O-CD 3.39Å; E120-R124 WeakPolarHBondContact O-CG 3.16Å; E120-R124 PolarHBondContact O-N 3.45Å; E120-R124 IonicContact OE2-CZ 3.54Å; E120-R124 IonicContact OE2-NE 3.56Å; E120-R124 IonicContact OE2-NH2 2.7Å; E120-R124 PolarHBondContact OE2-NH2 3.13Å; D121-R124 PolarHBondContact O-N 2.88Å; R124-L127 PolarHBondContact O-N 3.45Å; R124-L128 WeakPolarHBondContact O-CG 3.45Å; R124-L128 PolarHBondContact O-N 3.1Å |
| 125 | A | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 92 Ų | 92 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D121 V123 L128 E129 | D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.32Å; D121-A125 PolarHBondContact O-N 2.83Å; V123-A125 VanDerWaalsContact C-N 3.35Å; V123-A125 PolarHBondContact O-N 3.41Å; A125-L128 PolarHBondContact O-N 2.97Å; A125-E129 PolarHBondContact O-N 3.4Å |
| 126 | Q | 98.5 | Very high | 98.3 | Very high | 127 Ų | 127 | 92.7 Ų | 92.7 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 175 | -73.3 | 169.4 | 32.1 | 0 | 0 | 112.5 | G122 V123 E129 M130 | G122-Q126 VanDerWaalsContact O-CG 3.26Å; G122-Q126 WeakPolarHBondContact O-CG 3.26Å; G122-Q126 PolarHBondContact O-N 2.88Å; G122-Q126 VanDerWaalsContact O-N 3.13Å; V123-Q126 PolarHBondContact O-N 3.42Å; Q126-E129 PolarHBondContact O-N 2.98Å; Q126-M130 WeakPolarHBondContact O-CB 3.47Å; Q126-M130 VanDerWaalsContact O-CG 3.32Å; Q126-M130 WeakPolarHBondContact O-CG 3.34Å; Q126-M130 PolarHBondContact O-N 3.01Å |
| 127 | L | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 91.9 Ų | 91.9 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -50.1 | 176.1 | -179.8 | 61.7 | 0 | 0 | 0 | 111 | V123 R124 E129 M130 E131 | V123-L127 WeakPolarHBondContact O-CB 3.33Å; V123-L127 PolarHBondContact O-N 3.01Å; R124-L127 PolarHBondContact O-N 3.45Å; L127-E129 VanDerWaalsContact C-N 3.3Å; L127-E129 PolarHBondContact O-N 2.88Å; L127-M130 PolarHBondContact O-N 3.36Å; L127-M130 VanDerWaalsContact O-N 3.1Å; L127-E131 HydrophobicContact CD1-CG 4.38Å; L127-E131 WeakPolarHBondContact O-CG 3.39Å; L127-E131 PolarHBondContact O-N 2.93Å |
| 128 | L | 98.5 | Very high | 98.3 | Very high | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60 | -37.4 | 176.7 | -70.2 | 169.8 | 0 | 0 | 0 | 112.5 | R124 A125 A132 | R124-L128 WeakPolarHBondContact O-CG 3.45Å; R124-L128 PolarHBondContact O-N 3.1Å; A125-L128 PolarHBondContact O-N 2.97Å; L128-A132 VanDerWaalsContact O-CB 3.31Å; L128-A132 WeakPolarHBondContact O-CB 3.39Å; L128-A132 PolarHBondContact O-N 3.35Å |
| 129 | E | 98.6 | Very high | 98.4 | Very high | 99 Ų | 99 | 94.7 Ų | 94.7 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 174.5 | -157.6 | -161.5 | 179.9 | 0 | 0 | 111.7 | A125 Q126 L127 A132 R133 | A125-E129 PolarHBondContact O-N 3.4Å; Q126-E129 PolarHBondContact O-N 2.98Å; L127-E129 VanDerWaalsContact C-N 3.3Å; L127-E129 PolarHBondContact O-N 2.88Å; E129-A132 PolarHBondContact O-N 3.47Å; E129-R133 WeakPolarHBondContact O-CB 3.36Å; E129-R133 WeakPolarHBondContact O-CD 3.19Å; E129-R133 WeakPolarHBondContact O-CG 3.41Å; E129-R133 PolarHBondContact O-N 3.27Å; E129-R133 IonicContact OE1-CZ 3.94Å; E129-R133 VanDerWaalsContact OE1-CZ 3.23Å; E129-R133 IonicContact OE1-NE 3.23Å; E129-R133 PolarHBondContact OE1-NE 2.9Å; E129-R133 IonicContact OE1-NH2 3.8Å; E129-R133 PolarHBondContact OE1-NH2 3.39Å; E129-R133 IonicContact OE2-CZ 3.01Å; E129-R133 IonicContact OE2-NE 3.2Å; E129-R133 IonicContact OE2-NH1 3.45Å; E129-R133 IonicContact OE2-NH2 3.63Å; E129-R133 PolarHBondContact OE2-NH2 3.48Å |
| 130 | M | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 92.5 Ų | 92.5 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 177 | -73.4 | -62.3 | -64.5 | 0 | 0 | 112.6 | Q126 L127 R133 A134 | Q126-M130 WeakPolarHBondContact O-CB 3.47Å; Q126-M130 VanDerWaalsContact O-CG 3.32Å; Q126-M130 WeakPolarHBondContact O-CG 3.34Å; Q126-M130 PolarHBondContact O-N 3.01Å; L127-M130 PolarHBondContact O-N 3.36Å; L127-M130 VanDerWaalsContact O-N 3.1Å; M130-R133 PolarHBondContact O-N 2.87Å; M130-R133 PolarHBondContact SD-NH1 3.5Å; M130-A134 WeakPolarHBondContact O-CB 3.43Å; M130-A134 PolarHBondContact O-N 2.85Å |
| 131 | E | 98.4 | Very high | 98.3 | Very high | 105 Ų | 105 | 92 Ų | 92 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 171.6 | -73 | 174.6 | 179.1 | 0 | 0 | 111.4 | L127 R133 A134 A135 | L127-E131 HydrophobicContact CD1-CG 4.38Å; L127-E131 WeakPolarHBondContact O-CG 3.39Å; L127-E131 PolarHBondContact O-N 2.93Å; E131-R133 PolarHBondContact O-N 3.02Å; E131-A134 PolarHBondContact O-N 3.29Å; E131-A135 WeakPolarHBondContact O-CB 3.3Å; E131-A135 PolarHBondContact O-N 3.32Å |
| 132 | A | 98.4 | Very high | 98.2 | Very high | 45 Ų | 45 | 95.2 Ų | 95.2 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L128 E129 A135 Q136 | L128-A132 VanDerWaalsContact O-CB 3.31Å; L128-A132 WeakPolarHBondContact O-CB 3.39Å; L128-A132 PolarHBondContact O-N 3.35Å; E129-A132 PolarHBondContact O-N 3.47Å; A132-A135 PolarHBondContact O-N 3.08Å; A132-Q136 VanDerWaalsContact O-CG 3.25Å; A132-Q136 WeakPolarHBondContact O-CG 3.31Å; A132-Q136 PolarHBondContact O-N 2.99Å |
| 133 | R | 98.5 | Very high | 98.2 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 40% | 0.404 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 173.7 | -71.4 | 162.7 | 177.3 | 178.7 | -0.6 | 111.7 | E129 M130 E131 Q136 M137 | E129-R133 WeakPolarHBondContact O-CB 3.36Å; E129-R133 WeakPolarHBondContact O-CD 3.19Å; E129-R133 WeakPolarHBondContact O-CG 3.41Å; E129-R133 PolarHBondContact O-N 3.27Å; E129-R133 IonicContact OE1-CZ 3.94Å; E129-R133 VanDerWaalsContact OE1-CZ 3.23Å; E129-R133 IonicContact OE1-NE 3.23Å; E129-R133 PolarHBondContact OE1-NE 2.9Å; E129-R133 IonicContact OE1-NH2 3.8Å; E129-R133 PolarHBondContact OE1-NH2 3.39Å; E129-R133 IonicContact OE2-CZ 3.01Å; E129-R133 IonicContact OE2-NE 3.2Å; E129-R133 IonicContact OE2-NH1 3.45Å; E129-R133 IonicContact OE2-NH2 3.63Å; E129-R133 PolarHBondContact OE2-NH2 3.48Å; M130-R133 PolarHBondContact O-N 2.87Å; M130-R133 PolarHBondContact SD-NH1 3.5Å; E131-R133 PolarHBondContact O-N 3.02Å; R133-Q136 PolarHBondContact O-N 3.36Å; R133-M137 WeakPolarHBondContact O-CG 3.48Å; R133-M137 PolarHBondContact O-N 3.29Å |
| 134 | A | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 100.1 Ų | 100.1 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M130 E131 Q136 M137 A138 | M130-A134 WeakPolarHBondContact O-CB 3.43Å; M130-A134 PolarHBondContact O-N 2.85Å; E131-A134 PolarHBondContact O-N 3.29Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-Q136 PolarHBondContact O-N 3.34Å; A134-M137 PolarHBondContact O-N 3.45Å; A134-A138 WeakPolarHBondContact O-CB 3.44Å; A134-A138 PolarHBondContact O-N 3.31Å |
| 135 | A | 98.3 | Very high | 98 | Very high | 44 Ų | 44 | 98 Ų | 98 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E131 A132 A138 R139 | E131-A135 WeakPolarHBondContact O-CB 3.3Å; E131-A135 PolarHBondContact O-N 3.32Å; A132-A135 PolarHBondContact O-N 3.08Å; A135-A138 PolarHBondContact O-N 2.93Å; A135-R139 WeakPolarHBondContact O-CG 3.48Å; A135-R139 PolarHBondContact O-N 3.41Å; A135-R139 VanDerWaalsContact O-N 3.08Å |
| 136 | Q | 98.5 | Very high | 97.9 | Very high | 112 Ų | 112 | 98.9 Ų | 98.9 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 172.9 | -72.9 | 167.7 | 20 | 0 | 0 | 111.8 | A132 R133 A134 A138 R139 Q140 | A132-Q136 VanDerWaalsContact O-CG 3.25Å; A132-Q136 WeakPolarHBondContact O-CG 3.31Å; A132-Q136 PolarHBondContact O-N 2.99Å; R133-Q136 PolarHBondContact O-N 3.36Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-Q136 PolarHBondContact O-N 3.34Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 3.31Å; Q136-R139 PolarHBondContact O-N 2.81Å; Q136-Q140 WeakPolarHBondContact O-CG 3.48Å; Q136-Q140 PolarHBondContact O-N 2.87Å |
| 137 | M | 98.3 | Very high | 97.9 | Very high | 114 Ų | 114 | 100 Ų | 100 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -38 | 175.7 | -69.8 | -172.2 | -65.7 | 0 | 0 | 112.2 | R133 A134 R139 Q140 V141 | R133-M137 WeakPolarHBondContact O-CG 3.48Å; R133-M137 PolarHBondContact O-N 3.29Å; A134-M137 PolarHBondContact O-N 3.45Å; M137-R139 PolarHBondContact O-N 2.66Å; M137-Q140 PolarHBondContact O-N 3.47Å; M137-V141 WeakPolarHBondContact O-CG2 3.46Å; M137-V141 PolarHBondContact O-N 2.89Å |
| 138 | A | 98.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 99.6 Ų | 99.6 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A134 A135 Q136 V141 Q142 | A134-A138 WeakPolarHBondContact O-CB 3.44Å; A134-A138 PolarHBondContact O-N 3.31Å; A135-A138 PolarHBondContact O-N 2.93Å; Q136-A138 VanDerWaalsContact C-N 3.33Å; Q136-A138 PolarHBondContact O-N 3.31Å; A138-V141 PolarHBondContact O-N 3.47Å; A138-Q142 WeakPolarHBondContact O-CB 3.33Å; A138-Q142 PolarHBondContact O-N 2.95Å |
| 139 | R | 98 | Very high | 97.8 | Very high | 157 Ų | 157 | 97.4 Ų | 97.4 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 173.6 | -69.5 | 169.7 | -170.3 | -175.7 | 3.3 | 111.7 | A135 Q136 M137 V141 Q142 E143 | A135-R139 WeakPolarHBondContact O-CG 3.48Å; A135-R139 PolarHBondContact O-N 3.41Å; A135-R139 VanDerWaalsContact O-N 3.08Å; Q136-R139 PolarHBondContact O-N 2.81Å; M137-R139 PolarHBondContact O-N 2.66Å; R139-V141 VanDerWaalsContact C-N 3.3Å; R139-V141 PolarHBondContact O-N 3.24Å; R139-Q142 CarbonylContact O-C 3.46Å; R139-Q142 WeakPolarHBondContact O-CA 3.22Å; R139-Q142 WeakPolarHBondContact O-CB 3.25Å; R139-Q142 PolarHBondContact O-N 3.22Å; R139-E143 WeakPolarHBondContact O-CG 3.35Å; R139-E143 PolarHBondContact O-N 3.5Å |
| 140 | Q | 97.3 | Very high | 97.8 | Very high | 110 Ų | 110 | 96.5 Ų | 96.5 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 176 | -69 | 170.3 | 1.1 | 0 | 0 | 112.5 | Q136 M137 Q142 E143 L144 | Q136-Q140 WeakPolarHBondContact O-CG 3.48Å; Q136-Q140 PolarHBondContact O-N 2.87Å; M137-Q140 PolarHBondContact O-N 3.47Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å; Q140-E143 PolarHBondContact O-N 3.42Å; Q140-L144 WeakPolarHBondContact O-CB 3.5Å; Q140-L144 VanDerWaalsContact O-CG 3.28Å; Q140-L144 WeakPolarHBondContact O-CG 3.39Å; Q140-L144 PolarHBondContact O-N 3.37Å |
| 141 | V | 97.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -34.6 | 175 | 171 | 0 | 0 | 0 | 0 | 111.8 | M137 A138 R139 L144 Q145 | M137-V141 WeakPolarHBondContact O-CG2 3.46Å; M137-V141 PolarHBondContact O-N 2.89Å; A138-V141 PolarHBondContact O-N 3.47Å; R139-V141 VanDerWaalsContact C-N 3.3Å; R139-V141 PolarHBondContact O-N 3.24Å; V141-L144 PolarHBondContact O-N 3.07Å; V141-Q145 PolarHBondContact O-N 3.47Å |
| 142 | Q | 97.4 | Very high | 97.8 | Very high | 143 Ų | 143 | 97.7 Ų | 97.7 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.9 | -42.5 | 174.8 | -168.8 | 176 | 17.8 | 0 | 0 | 111.9 | A138 R139 Q140 L144 Q145 P146 | A138-Q142 WeakPolarHBondContact O-CB 3.33Å; A138-Q142 PolarHBondContact O-N 2.95Å; R139-Q142 CarbonylContact O-C 3.46Å; R139-Q142 WeakPolarHBondContact O-CA 3.22Å; R139-Q142 WeakPolarHBondContact O-CB 3.25Å; R139-Q142 PolarHBondContact O-N 3.22Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å; Q142-L144 VanDerWaalsContact C-N 3.27Å; Q142-L144 PolarHBondContact O-N 3.44Å; Q142-Q145 VanDerWaalsContact O-CB 3.22Å; Q142-Q145 WeakPolarHBondContact O-CB 3.46Å; Q142-Q145 PolarHBondContact O-N 3.28Å; Q142-Q145 VanDerWaalsContact O-N 3.07Å; Q142-P146 VanDerWaalsContact O-CD 3.3Å; Q142-P146 WeakPolarHBondContact O-CD 3.43Å |
| 143 | E | 96.6 | Very high | 97.8 | Very high | 123 Ų | 123 | 101 Ų | 101 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.4 | -34.3 | 173.1 | -71.2 | 160.6 | -160.1 | 0 | 0 | 112.2 | R139 Q140 P146 Y147 | R139-E143 WeakPolarHBondContact O-CG 3.35Å; R139-E143 PolarHBondContact O-N 3.5Å; Q140-E143 PolarHBondContact O-N 3.42Å; E143-P146 WeakPolarHBondContact O-CD 3.34Å; E143-P146 WeakPolarHBondContact O-CG 3.28Å; E143-Y147 WeakPolarHBondContact O-CD2 3.36Å |
| 144 | L | 96.6 | Very high | 97.7 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -13.7 | 174.9 | -70.4 | 171.9 | 0 | 0 | 0 | 114.2 | Q140 V141 Q142 Y147 K148 | Q140-L144 WeakPolarHBondContact O-CB 3.5Å; Q140-L144 VanDerWaalsContact O-CG 3.28Å; Q140-L144 WeakPolarHBondContact O-CG 3.39Å; Q140-L144 PolarHBondContact O-N 3.37Å; V141-L144 PolarHBondContact O-N 3.07Å; Q142-L144 VanDerWaalsContact C-N 3.27Å; Q142-L144 PolarHBondContact O-N 3.44Å; L144-Y147 PolarHBondContact O-N 3.09Å; L144-K148 PolarHBondContact O-N 3.24Å |
| 145 | Q | 97.1 | Very high | 97.8 | Very high | 97 Ų | 97 | 102.5 Ų | 102.5 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | -178.5 | -166.1 | 66.3 | 5.7 | 0 | 0 | 114.5 | V141 Q142 Y147 K148 V149 | V141-Q145 PolarHBondContact O-N 3.47Å; Q142-Q145 VanDerWaalsContact O-CB 3.22Å; Q142-Q145 WeakPolarHBondContact O-CB 3.46Å; Q142-Q145 PolarHBondContact O-N 3.28Å; Q142-Q145 VanDerWaalsContact O-N 3.07Å; Q145-Y147 PolarHBondContact O-N 3.07Å; Q145-K148 WeakPolarHBondContact O-CB 3.46Å; Q145-K148 PolarHBondContact O-N 3.45Å; Q145-K148 VanDerWaalsContact O-N 3.09Å; Q145-V149 PolarHBondContact O-N 3.04Å |
| 146 | P | 97.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -32.4 | 177.1 | 22.2 | -34.5 | 0 | 0 | 0 | 113.2 | Q142 E143 K148 V149 L150 | Q142-P146 VanDerWaalsContact O-CD 3.3Å; Q142-P146 WeakPolarHBondContact O-CD 3.43Å; E143-P146 WeakPolarHBondContact O-CD 3.34Å; E143-P146 WeakPolarHBondContact O-CG 3.28Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.5Å; P146-V149 PolarHBondContact O-N 3.34Å; P146-L150 WeakPolarHBondContact O-CB 3.35Å; P146-L150 PolarHBondContact O-N 3.48Å |
| 147 | Y | 97.2 | Very high | 97.8 | Very high | 152 Ų | 152 | 105.4 Ų | 105.4 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.5 | -34.5 | 175.7 | -65.4 | -83.7 | 0 | 0 | 0 | 112.7 | E143 L144 Q145 Q151 | E143-Y147 WeakPolarHBondContact O-CD2 3.36Å; L144-Y147 PolarHBondContact O-N 3.09Å; Q145-Y147 PolarHBondContact O-N 3.07Å; Y147-Q151 WeakPolarHBondContact O-CB 3.45Å; Y147-Q151 VanDerWaalsContact O-CG 3.24Å; Y147-Q151 WeakPolarHBondContact O-CG 3.22Å; Y147-Q151 PolarHBondContact O-N 3.06Å |
| 148 | K | 97.3 | Very high | 97.8 | Very high | 89 Ų | 89 | 104 Ų | 104 | 39% | 0.387 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 173.2 | -60 | 171.9 | -161 | 157 | 0 | 111.4 | L144 Q145 P146 Q151 L152 | L144-K148 PolarHBondContact O-N 3.24Å; Q145-K148 WeakPolarHBondContact O-CB 3.46Å; Q145-K148 PolarHBondContact O-N 3.45Å; Q145-K148 VanDerWaalsContact O-N 3.09Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.5Å; K148-Q151 PolarHBondContact O-N 3.07Å; K148-L152 WeakPolarHBondContact O-CG 3.32Å; K148-L152 PolarHBondContact O-N 3.38Å |
| 149 | V | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 108.3 Ų | 108.3 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | Q145 P146 Q151 L152 E153 | Q145-V149 PolarHBondContact O-N 3.04Å; P146-V149 PolarHBondContact O-N 3.34Å; V149-Q151 VanDerWaalsContact C-N 3.3Å; V149-Q151 PolarHBondContact O-N 2.83Å; V149-L152 WeakPolarHBondContact O-CB 3.25Å; V149-L152 PolarHBondContact O-N 2.99Å; V149-E153 HydrophobicContact CG1-CG 4.47Å; V149-E153 WeakPolarHBondContact O-CG 3.4Å; V149-E153 PolarHBondContact O-N 3.47Å |
| 150 | L | 98.3 | Very high | 97.8 | Very high | 80 Ų | 80 | 102 Ų | 102 | 42% | 0.419 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -37.3 | 177 | -178 | 62.7 | 0 | 0 | 0 | 112.7 | P146 E153 Q154 | P146-L150 WeakPolarHBondContact O-CB 3.35Å; P146-L150 PolarHBondContact O-N 3.48Å; L150-E153 PolarHBondContact O-N 2.95Å; L150-Q154 HydrophobicContact CD1-CG 4.36Å; L150-Q154 HydrophobicContact CG-CG 4.49Å; L150-Q154 WeakPolarHBondContact O-CB 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.42Å; L150-Q154 PolarHBondContact O-N 3.22Å |
| 151 | Q | 98.2 | Very high | 97.9 | Very high | 117 Ų | 117 | 100.8 Ų | 100.8 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 173.3 | -78.3 | 171 | 1.1 | 0 | 0 | 112.2 | Y147 K148 V149 Q154 L155 | Y147-Q151 WeakPolarHBondContact O-CB 3.45Å; Y147-Q151 VanDerWaalsContact O-CG 3.24Å; Y147-Q151 WeakPolarHBondContact O-CG 3.22Å; Y147-Q151 PolarHBondContact O-N 3.06Å; K148-Q151 PolarHBondContact O-N 3.07Å; V149-Q151 VanDerWaalsContact C-N 3.3Å; V149-Q151 PolarHBondContact O-N 2.83Å; Q151-Q154 PolarHBondContact O-N 3.3Å; Q151-L155 WeakPolarHBondContact O-CB 3.26Å; Q151-L155 VanDerWaalsContact O-CG 3.25Å; Q151-L155 WeakPolarHBondContact O-CG 3.48Å; Q151-L155 PolarHBondContact O-N 3.05Å |
| 152 | L | 97.8 | Very high | 98 | Very high | 121 Ų | 121 | 102 Ų | 102 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 176.1 | -67.8 | 171.6 | 0 | 0 | 0 | 111.8 | K148 V149 L155 A156 | K148-L152 WeakPolarHBondContact O-CG 3.32Å; K148-L152 PolarHBondContact O-N 3.38Å; V149-L152 WeakPolarHBondContact O-CB 3.25Å; V149-L152 PolarHBondContact O-N 2.99Å; L152-L155 PolarHBondContact O-N 2.96Å; L152-A156 WeakPolarHBondContact O-CB 3.22Å; L152-A156 PolarHBondContact O-N 3.21Å |
| 153 | E | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 173.6 | -70.5 | 173.6 | 174.7 | 0 | 0 | 112 | V149 L150 A156 R157 | V149-E153 HydrophobicContact CG1-CG 4.47Å; V149-E153 WeakPolarHBondContact O-CG 3.4Å; V149-E153 PolarHBondContact O-N 3.47Å; L150-E153 PolarHBondContact O-N 2.95Å; E153-A156 PolarHBondContact O-N 3.26Å; E153-R157 WeakPolarHBondContact O-CB 3.34Å; E153-R157 PolarHBondContact O-N 3.48Å |
| 154 | Q | 98.2 | Very high | 98.1 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.8 | -75.1 | 174.4 | 5.9 | 0 | 0 | 111.5 | L150 Q151 A156 R157 I158 | L150-Q154 HydrophobicContact CD1-CG 4.36Å; L150-Q154 HydrophobicContact CG-CG 4.49Å; L150-Q154 WeakPolarHBondContact O-CB 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.42Å; L150-Q154 PolarHBondContact O-N 3.22Å; Q151-Q154 PolarHBondContact O-N 3.3Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 2.83Å; Q154-R157 PolarHBondContact O-N 3.27Å; Q154-I158 WeakPolarHBondContact O-CB 3.4Å; Q154-I158 VanDerWaalsContact O-CG1 3.26Å; Q154-I158 WeakPolarHBondContact O-CG1 3.41Å; Q154-I158 PolarHBondContact O-N 3.43Å |
| 155 | L | 98.6 | Very high | 98.2 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 175.2 | -72.3 | 170.2 | 0 | 0 | 0 | 112.3 | Q151 L152 R159 | Q151-L155 WeakPolarHBondContact O-CB 3.26Å; Q151-L155 VanDerWaalsContact O-CG 3.25Å; Q151-L155 WeakPolarHBondContact O-CG 3.48Å; Q151-L155 PolarHBondContact O-N 3.05Å; L152-L155 PolarHBondContact O-N 2.96Å; L155-R159 WeakPolarHBondContact O-CB 3.44Å; L155-R159 WeakPolarHBondContact O-CD 3.4Å; L155-R159 VanDerWaalsContact O-CG 3.22Å; L155-R159 WeakPolarHBondContact O-CG 3.45Å; L155-R159 PolarHBondContact O-N 2.95Å |
| 156 | A | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 100.8 Ų | 100.8 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L152 E153 Q154 R159 A160 | L152-A156 WeakPolarHBondContact O-CB 3.22Å; L152-A156 PolarHBondContact O-N 3.21Å; E153-A156 PolarHBondContact O-N 3.26Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 2.83Å; A156-R159 PolarHBondContact O-N 2.86Å; A156-A160 PolarHBondContact O-N 2.87Å |
| 157 | R | 98.6 | Very high | 98.3 | Very high | 161 Ų | 161 | 102.3 Ų | 102.3 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 177.2 | -176.9 | 59.1 | 177 | -177.3 | 2.9 | 112.3 | E153 Q154 A160 L161 | E153-R157 WeakPolarHBondContact O-CB 3.34Å; E153-R157 PolarHBondContact O-N 3.48Å; Q154-R157 PolarHBondContact O-N 3.27Å; R157-A160 PolarHBondContact O-N 3.44Å; R157-L161 HydrophobicContact CG-CD1 4.2Å; R157-L161 WeakPolarHBondContact O-CG 3.24Å; R157-L161 PolarHBondContact O-N 2.9Å |
| 158 | I | 98.5 | Very high | 98.4 | Very high | 85 Ų | 85 | 100.4 Ų | 100.4 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -52.1 | 173 | -70.8 | 162.5 | 0 | 0 | 0 | 109.5 | Q154 A160 L161 E162 | Q154-I158 WeakPolarHBondContact O-CB 3.4Å; Q154-I158 VanDerWaalsContact O-CG1 3.26Å; Q154-I158 WeakPolarHBondContact O-CG1 3.41Å; Q154-I158 PolarHBondContact O-N 3.43Å; I158-A160 PolarHBondContact O-N 2.91Å; I158-L161 PolarHBondContact O-N 2.9Å; I158-L161 VanDerWaalsContact O-N 3.14Å; I158-E162 HydrophobicContact CG2-CG 4.27Å; I158-E162 WeakPolarHBondContact O-CG 3.43Å; I158-E162 PolarHBondContact O-N 3.43Å |
| 159 | R | 98.7 | Very high | 98.4 | Very high | 148 Ų | 148 | 103.6 Ų | 103.6 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -28.6 | 178 | -72.4 | 169.3 | 178.5 | -179 | 0 | 114 | L155 A156 E162 R163 | L155-R159 WeakPolarHBondContact O-CB 3.44Å; L155-R159 WeakPolarHBondContact O-CD 3.4Å; L155-R159 VanDerWaalsContact O-CG 3.22Å; L155-R159 WeakPolarHBondContact O-CG 3.45Å; L155-R159 PolarHBondContact O-N 2.95Å; A156-R159 PolarHBondContact O-N 2.86Å; R159-E162 WeakPolarHBondContact CA-OE2 3.27Å; R159-R163 WeakPolarHBondContact O-CG 3.49Å; R159-R163 PolarHBondContact O-N 3.49Å; R159-R163 PolarHBondContact O-NE 3.01Å |
| 160 | A | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 103.9 Ų | 103.9 | 22% | 0.215 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -69.9 | -54.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A156 R157 I158 E162 R163 D164 | A156-A160 PolarHBondContact O-N 2.87Å; R157-A160 PolarHBondContact O-N 3.44Å; I158-A160 PolarHBondContact O-N 2.91Å; A160-E162 PolarHBondContact O-N 3.03Å; A160-R163 WeakPolarHBondContact O-CB 3.49Å; A160-R163 PolarHBondContact O-N 2.96Å; A160-D164 VanDerWaalsContact O-CG 3.26Å; A160-D164 PolarHBondContact O-N 3.31Å |
| 161 | L | 98.7 | Very high | 98.5 | Very high | 83 Ų | 83 | 104.5 Ų | 104.5 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.1 | -33.2 | 179.2 | -67 | 170.6 | 0 | 0 | 0 | 112.8 | R157 I158 D164 L165 | R157-L161 HydrophobicContact CG-CD1 4.2Å; R157-L161 WeakPolarHBondContact O-CG 3.24Å; R157-L161 PolarHBondContact O-N 2.9Å; I158-L161 PolarHBondContact O-N 2.9Å; I158-L161 VanDerWaalsContact O-N 3.14Å; L161-D164 PolarHBondContact O-N 3.03Å; L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 PolarHBondContact O-N 3.27Å |
| 162 | E | 98.4 | Very high | 98.5 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 173.1 | -74.4 | 172.4 | 153.6 | 0 | 0 | 112.4 | I158 R159 A160 L166 | I158-E162 HydrophobicContact CG2-CG 4.27Å; I158-E162 WeakPolarHBondContact O-CG 3.43Å; I158-E162 PolarHBondContact O-N 3.43Å; R159-E162 WeakPolarHBondContact CA-OE2 3.27Å; A160-E162 PolarHBondContact O-N 3.03Å; E162-L166 WeakPolarHBondContact O-CB 3.47Å; E162-L166 VanDerWaalsContact O-CG 3.27Å; E162-L166 WeakPolarHBondContact O-CG 3.47Å; E162-L166 PolarHBondContact O-N 2.86Å |
| 163 | R | 98.6 | Very high | 98.5 | Very high | 163 Ų | 163 | 101.4 Ų | 101.4 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.3 | -45.3 | 174.3 | -65.4 | 169.2 | -160.4 | 135.9 | -0.8 | 111.1 | R159 A160 L165 L166 H167 | R159-R163 WeakPolarHBondContact O-CG 3.49Å; R159-R163 PolarHBondContact O-N 3.49Å; R159-R163 PolarHBondContact O-NE 3.01Å; A160-R163 WeakPolarHBondContact O-CB 3.49Å; A160-R163 PolarHBondContact O-N 2.96Å; R163-L165 VanDerWaalsContact C-N 3.31Å; R163-L165 PolarHBondContact O-N 2.87Å; R163-L166 PolarHBondContact O-N 3.26Å; R163-H167 WeakPolarHBondContact O-CB 3.48Å; R163-H167 PolarHBondContact O-N 3.49Å |
| 164 | D | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 100.2 Ų | 100.2 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 179.5 | -56.8 | -23.8 | 0 | 0 | 0 | 110.2 | A160 L161 L166 H167 M168 | A160-D164 VanDerWaalsContact O-CG 3.26Å; A160-D164 PolarHBondContact O-N 3.31Å; L161-D164 PolarHBondContact O-N 3.03Å; D164-L166 PolarHBondContact O-N 2.82Å; D164-H167 PolarHBondContact O-N 3.2Å; D164-M168 WeakPolarHBondContact O-CB 3.32Å; D164-M168 VanDerWaalsContact O-CG 3.31Å; D164-M168 WeakPolarHBondContact O-CG 3.3Å; D164-M168 PolarHBondContact O-N 3.42Å |
| 165 | L | 98.6 | Very high | 98.6 | Very high | 88 Ų | 88 | 100 Ų | 100 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177 | -163.9 | 167.1 | 0 | 0 | 0 | 111.8 | L161 R163 R169 | L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 PolarHBondContact O-N 3.27Å; R163-L165 VanDerWaalsContact C-N 3.31Å; R163-L165 PolarHBondContact O-N 2.87Å; L165-R169 HydrophobicContact CD2-CG 4.19Å; L165-R169 VanDerWaalsContact CD2-NE 3.26Å; L165-R169 WeakPolarHBondContact O-CB 3.43Å; L165-R169 WeakPolarHBondContact O-CG 3.31Å; L165-R169 PolarHBondContact O-N 2.9Å |
| 166 | L | 98.4 | Very high | 98.6 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 173.3 | -73 | 171.9 | 0 | 0 | 0 | 112.2 | E162 R163 D164 R169 V170 | E162-L166 WeakPolarHBondContact O-CB 3.47Å; E162-L166 VanDerWaalsContact O-CG 3.27Å; E162-L166 WeakPolarHBondContact O-CG 3.47Å; E162-L166 PolarHBondContact O-N 2.86Å; R163-L166 PolarHBondContact O-N 3.26Å; D164-L166 PolarHBondContact O-N 2.82Å; L166-R169 PolarHBondContact O-N 3.34Å; L166-V170 WeakPolarHBondContact O-CG2 3.34Å; L166-V170 PolarHBondContact O-N 3.46Å |
| 167 | H | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -51.9 | 175.7 | 179.8 | 38.7 | 0 | 0 | 0 | 111 | R163 D164 R169 V170 E171 | R163-H167 WeakPolarHBondContact O-CB 3.48Å; R163-H167 PolarHBondContact O-N 3.49Å; D164-H167 PolarHBondContact O-N 3.2Å; H167-R169 VanDerWaalsContact C-N 3.28Å; H167-R169 PolarHBondContact O-N 3.05Å; H167-V170 WeakPolarHBondContact O-CA 3.49Å; H167-V170 WeakPolarHBondContact O-CB 3.17Å; H167-V170 PolarHBondContact O-N 2.86Å; H167-E171 IonicContact CE1-OE1 2.81Å; H167-E171 IonicContact NE2-OE1 3.29Å; H167-E171 PolarHBondContact O-N 3.25Å |
| 168 | M | 98.4 | Very high | 98.6 | Very high | 112 Ų | 112 | 103.5 Ų | 103.5 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.2 | -34.8 | 176.3 | -67.6 | -54 | -53.3 | 0 | 0 | 112.8 | D164 H172 | D164-M168 WeakPolarHBondContact O-CB 3.32Å; D164-M168 VanDerWaalsContact O-CG 3.31Å; D164-M168 WeakPolarHBondContact O-CG 3.3Å; D164-M168 PolarHBondContact O-N 3.42Å; M168-H172 WeakPolarHBondContact O-CB 3.47Å; M168-H172 PolarHBondContact O-N 3.4Å |
| 169 | R | 98.6 | Very high | 98.6 | Very high | 155 Ų | 155 | 103.3 Ų | 103.3 | 59% | 0.585 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.2 | -41.4 | 172.4 | -80.9 | 174.8 | 173.8 | 168.4 | 2.7 | 112.4 | L165 L166 H167 T173 | L165-R169 HydrophobicContact CD2-CG 4.19Å; L165-R169 VanDerWaalsContact CD2-NE 3.26Å; L165-R169 WeakPolarHBondContact O-CB 3.43Å; L165-R169 WeakPolarHBondContact O-CG 3.31Å; L165-R169 PolarHBondContact O-N 2.9Å; L166-R169 PolarHBondContact O-N 3.34Å; H167-R169 VanDerWaalsContact C-N 3.28Å; H167-R169 PolarHBondContact O-N 3.05Å; R169-T173 WeakPolarHBondContact O-CB 3.39Å; R169-T173 WeakPolarHBondContact O-CG2 3.45Å; R169-T173 PolarHBondContact O-N 3.04Å; R169-T173 PolarHBondContact O-OG1 3.22Å |
| 170 | V | 98.6 | Very high | 98.6 | Very high | 74 Ų | 74 | 102.7 Ų | 102.7 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | L166 H167 T173 Q174 | L166-V170 WeakPolarHBondContact O-CG2 3.34Å; L166-V170 PolarHBondContact O-N 3.46Å; H167-V170 WeakPolarHBondContact O-CA 3.49Å; H167-V170 WeakPolarHBondContact O-CB 3.17Å; H167-V170 PolarHBondContact O-N 2.86Å; V170-T173 PolarHBondContact O-N 3.14Å; V170-T173 PolarHBondContact O-OG1 3.44Å; V170-T173 VanDerWaalsContact O-OG1 3.04Å; V170-Q174 WeakPolarHBondContact O-CB 3.18Å; V170-Q174 VanDerWaalsContact O-CG 3.3Å; V170-Q174 WeakPolarHBondContact O-CG 3.46Å; V170-Q174 PolarHBondContact O-N 3.01Å |
| 171 | E | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176.8 | -65.9 | -156.4 | 131.1 | 0 | 0 | 112.5 | H167 T173 Q174 L175 | H167-E171 IonicContact CE1-OE1 2.81Å; H167-E171 IonicContact NE2-OE1 3.29Å; H167-E171 PolarHBondContact O-N 3.25Å; E171-T173 PolarHBondContact O-N 2.84Å; E171-Q174 PolarHBondContact O-N 2.88Å; E171-L175 WeakPolarHBondContact O-CB 3.37Å; E171-L175 PolarHBondContact O-N 3.29Å |
| 172 | H | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 106.7 Ų | 106.7 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 177.4 | 179.4 | 67.7 | 0 | 0 | 0 | 111.8 | M168 L175 L176 | M168-H172 WeakPolarHBondContact O-CB 3.47Å; M168-H172 PolarHBondContact O-N 3.4Å; H172-L175 PolarHBondContact O-N 3.43Å; H172-L176 WeakPolarHBondContact NE2-CD1 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.3Å; H172-L176 PolarHBondContact O-N 2.74Å |
| 173 | T | 98.4 | Very high | 98.6 | Very high | 65 Ų | 65 | 107.8 Ų | 107.8 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 175.9 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | R169 V170 E171 L176 H177 | R169-T173 WeakPolarHBondContact O-CB 3.39Å; R169-T173 WeakPolarHBondContact O-CG2 3.45Å; R169-T173 PolarHBondContact O-N 3.04Å; R169-T173 PolarHBondContact O-OG1 3.22Å; V170-T173 PolarHBondContact O-N 3.14Å; V170-T173 PolarHBondContact O-OG1 3.44Å; V170-T173 VanDerWaalsContact O-OG1 3.04Å; E171-T173 PolarHBondContact O-N 2.84Å; T173-L176 PolarHBondContact O-N 2.94Å; T173-H177 PolarHBondContact O-N 3.31Å; T173-H177 PolarHBondContact O-ND1 3Å |
| 174 | Q | 98.4 | Very high | 98.6 | Very high | 88 Ų | 88 | 104.4 Ų | 104.4 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 171.3 | -74.2 | -178.9 | 30 | 0 | 0 | 112 | V170 E171 H177 R178 | V170-Q174 WeakPolarHBondContact O-CB 3.18Å; V170-Q174 VanDerWaalsContact O-CG 3.3Å; V170-Q174 WeakPolarHBondContact O-CG 3.46Å; V170-Q174 PolarHBondContact O-N 3.01Å; E171-Q174 PolarHBondContact O-N 2.88Å; Q174-H177 PolarHBondContact O-N 2.84Å; Q174-R178 VanDerWaalsContact O-CG 3.3Å; Q174-R178 WeakPolarHBondContact O-CG 3.33Å; Q174-R178 PolarHBondContact O-N 2.9Å |
| 175 | L | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 106.4 Ų | 106.4 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.2 | -178.5 | 60.4 | 0 | 0 | 0 | 111.5 | E171 H172 H177 R178 V179 | E171-L175 WeakPolarHBondContact O-CB 3.37Å; E171-L175 PolarHBondContact O-N 3.29Å; H172-L175 PolarHBondContact O-N 3.43Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-H177 PolarHBondContact O-N 3.24Å; L175-R178 PolarHBondContact O-N 2.87Å; L175-V179 HydrophobicContact CD1-CG2 4.19Å; L175-V179 HydrophobicContact CG-CG2 4.49Å; L175-V179 WeakPolarHBondContact O-CG2 3.43Å; L175-V179 PolarHBondContact O-N 3.01Å |
| 176 | L | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 106.5 Ų | 106.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 173.4 | -75.7 | 176.6 | 0 | 0 | 0 | 112.1 | H172 T173 V179 K180 | H172-L176 WeakPolarHBondContact NE2-CD1 3.29Å; H172-L176 WeakPolarHBondContact O-CG 3.3Å; H172-L176 PolarHBondContact O-N 2.74Å; T173-L176 PolarHBondContact O-N 2.94Å; L176-V179 PolarHBondContact O-N 3Å; L176-K180 WeakPolarHBondContact O-CB 3.48Å; L176-K180 PolarHBondContact O-N 3.18Å |
| 177 | H | 98.7 | Very high | 98.6 | Very high | 134 Ų | 134 | 106.5 Ų | 106.5 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 175.8 | -73.8 | 104.1 | 0 | 0 | 0 | 112.2 | T173 Q174 L175 K180 G181 | T173-H177 PolarHBondContact O-N 3.31Å; T173-H177 PolarHBondContact O-ND1 3Å; Q174-H177 PolarHBondContact O-N 2.84Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-H177 PolarHBondContact O-N 3.24Å; H177-K180 PolarHBondContact O-N 3.46Å; H177-G181 PolarHBondContact O-N 3.47Å |
| 178 | R | 98.6 | Very high | 98.6 | Very high | 149 Ų | 149 | 102.7 Ų | 102.7 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 176.1 | -69.5 | 169.3 | -170.9 | 163.2 | 8.2 | 112.1 | Q174 L175 G181 R182 | Q174-R178 VanDerWaalsContact O-CG 3.3Å; Q174-R178 WeakPolarHBondContact O-CG 3.33Å; Q174-R178 PolarHBondContact O-N 2.9Å; L175-R178 PolarHBondContact O-N 2.87Å; R178-G181 PolarHBondContact O-N 3.24Å; R178-R182 WeakPolarHBondContact O-CG 3.44Å; R178-R182 PolarHBondContact O-N 3.32Å |
| 179 | V | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 99 Ų | 99 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L175 L176 G181 R182 F183 | L175-V179 HydrophobicContact CD1-CG2 4.19Å; L175-V179 HydrophobicContact CG-CG2 4.49Å; L175-V179 WeakPolarHBondContact O-CG2 3.43Å; L175-V179 PolarHBondContact O-N 3.01Å; L176-V179 PolarHBondContact O-N 3Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 2.94Å; V179-R182 PolarHBondContact O-N 2.99Å; V179-F183 WeakPolarHBondContact O-CB 3.4Å; V179-F183 PolarHBondContact O-N 3.45Å |
| 180 | K | 98.6 | Very high | 98.5 | Very high | 135 Ų | 135 | 98.1 Ų | 98.1 | 59% | 0.587 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63 | -38.2 | 175.2 | -175.7 | 179.8 | 178.4 | -177 | 0 | 112.2 | L176 H177 L184 | L176-K180 WeakPolarHBondContact O-CB 3.48Å; L176-K180 PolarHBondContact O-N 3.18Å; H177-K180 PolarHBondContact O-N 3.46Å; K180-L184 HydrophobicContact CG-CD1 4.19Å; K180-L184 VanDerWaalsContact O-CG 3.29Å; K180-L184 WeakPolarHBondContact O-CG 3.42Å; K180-L184 PolarHBondContact O-N 2.86Å; K180-L184 VanDerWaalsContact O-N 3.12Å |
| 181 | G | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 98.2 Ų | 98.2 | 27% | 0.268 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.8 | -58.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H177 R178 V179 F183 L184 E185 | H177-G181 PolarHBondContact O-N 3.47Å; R178-G181 PolarHBondContact O-N 3.24Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 2.94Å; G181-F183 VanDerWaalsContact C-N 3.34Å; G181-F183 PolarHBondContact O-N 3.11Å; G181-L184 PolarHBondContact O-N 3.01Å; G181-E185 WeakPolarHBondContact O-CG 3.37Å; G181-E185 PolarHBondContact O-N 3.47Å |
| 182 | R | 98.5 | Very high | 98.5 | Very high | 167 Ų | 167 | 100.8 Ų | 100.8 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -53.5 | -47.4 | 177 | -68.9 | 175.3 | -178.4 | 178 | -1.1 | 112.6 | R178 V179 L184 E185 D186 | R178-R182 WeakPolarHBondContact O-CG 3.44Å; R178-R182 PolarHBondContact O-N 3.32Å; V179-R182 PolarHBondContact O-N 2.99Å; R182-L184 VanDerWaalsContact C-N 3.28Å; R182-L184 PolarHBondContact O-N 3.19Å; R182-E185 WeakPolarHBondContact O-CB 3.49Å; R182-E185 PolarHBondContact O-N 3.46Å; R182-E185 VanDerWaalsContact O-N 3.11Å; R182-D186 WeakPolarHBondContact O-CB 3.19Å; R182-D186 VanDerWaalsContact O-CG 3.24Å; R182-D186 PolarHBondContact O-N 3.48Å |
| 183 | F | 98.7 | Very high | 98.5 | Very high | 134 Ų | 134 | 99.1 Ų | 99.1 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.4 | -35.8 | 177.7 | 175.8 | -98.7 | 0 | 0 | 0 | 113.4 | V179 G181 K187 | V179-F183 WeakPolarHBondContact O-CB 3.4Å; V179-F183 PolarHBondContact O-N 3.45Å; G181-F183 VanDerWaalsContact C-N 3.34Å; G181-F183 PolarHBondContact O-N 3.11Å; F183-K187 WeakPolarHBondContact O-CB 3.2Å; F183-K187 PolarHBondContact O-N 2.89Å |
| 184 | L | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 98.6 Ų | 98.6 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.3 | -34.7 | 175.9 | -68.9 | 171.2 | 0 | 0 | 0 | 112.2 | K180 G181 R182 A188 | K180-L184 HydrophobicContact CG-CD1 4.19Å; K180-L184 VanDerWaalsContact O-CG 3.29Å; K180-L184 WeakPolarHBondContact O-CG 3.42Å; K180-L184 PolarHBondContact O-N 2.86Å; K180-L184 VanDerWaalsContact O-N 3.12Å; G181-L184 PolarHBondContact O-N 3.01Å; R182-L184 VanDerWaalsContact C-N 3.28Å; R182-L184 PolarHBondContact O-N 3.19Å; L184-A188 VanDerWaalsContact O-CB 3.28Å; L184-A188 WeakPolarHBondContact O-CB 3.47Å; L184-A188 PolarHBondContact O-N 2.9Å |
| 185 | E | 98.6 | Very high | 98.4 | Very high | 125 Ų | 125 | 101.4 Ų | 101.4 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -49.5 | 172.9 | -69.3 | 159.3 | -174.3 | 0 | 0 | 111.2 | G181 R182 A188 A189 | G181-E185 WeakPolarHBondContact O-CG 3.37Å; G181-E185 PolarHBondContact O-N 3.47Å; R182-E185 WeakPolarHBondContact O-CB 3.49Å; R182-E185 PolarHBondContact O-N 3.46Å; R182-E185 VanDerWaalsContact O-N 3.11Å; E185-A188 CarbonylContact O-C 3.6Å; E185-A188 PolarHBondContact O-N 3.12Å; E185-A189 PolarHBondContact O-N 2.87Å |
| 186 | D | 98.5 | Very high | 98.4 | Very high | 90 Ų | 90 | 102.4 Ų | 102.4 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.4 | -68.7 | -31.1 | 0 | 0 | 0 | 111 | R182 A188 A189 F190 | R182-D186 WeakPolarHBondContact O-CB 3.19Å; R182-D186 VanDerWaalsContact O-CG 3.24Å; R182-D186 PolarHBondContact O-N 3.48Å; D186-A188 VanDerWaalsContact C-N 3.29Å; D186-A188 PolarHBondContact O-N 3.09Å; D186-A189 WeakPolarHBondContact O-CA 3.28Å; D186-A189 WeakPolarHBondContact O-CB 3.49Å; D186-A189 PolarHBondContact O-N 3.08Å; D186-F190 HydrophobicContact CB-CE2 4.27Å; D186-F190 WeakPolarHBondContact O-CD2 3.32Å; D186-F190 PolarHBondContact O-N 3.03Å |
| 187 | K | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 45% | 0.452 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 175.2 | 177.9 | 178.6 | 169.5 | -179.3 | 0 | 111.1 | F183 A189 F190 E191 | F183-K187 WeakPolarHBondContact O-CB 3.2Å; F183-K187 PolarHBondContact O-N 2.89Å; K187-A189 VanDerWaalsContact C-N 3.31Å; K187-A189 PolarHBondContact O-N 3.46Å; K187-F190 PolarHBondContact O-N 3.47Å; K187-E191 WeakPolarHBondContact CE-OE1 3.38Å; K187-E191 IonicContact NZ-OE1 3.43Å; K187-E191 WeakPolarHBondContact O-CB 3.48Å; K187-E191 WeakPolarHBondContact O-CG 3.19Å; K187-E191 PolarHBondContact O-N 3.47Å |
| 188 | A | 98.3 | Very high | 98.3 | Very high | 29 Ų | 29 | 103.3 Ų | 103.3 | 24% | 0.24 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67 | -31.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L184 E185 D186 R192 | L184-A188 VanDerWaalsContact O-CB 3.28Å; L184-A188 WeakPolarHBondContact O-CB 3.47Å; L184-A188 PolarHBondContact O-N 2.9Å; E185-A188 CarbonylContact O-C 3.6Å; E185-A188 PolarHBondContact O-N 3.12Å; D186-A188 VanDerWaalsContact C-N 3.29Å; D186-A188 PolarHBondContact O-N 3.09Å; A188-R192 WeakPolarHBondContact O-CG 3.4Å; A188-R192 PolarHBondContact O-N 2.96Å; A188-R192 VanDerWaalsContact O-N 3.08Å; A188-R192 PolarHBondContact O-NH1 3.41Å |
| 189 | A | 98.4 | Very high | 98.3 | Very high | 36 Ų | 36 | 101.4 Ų | 101.4 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -51.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E185 D186 K187 E191 R192 E193 | E185-A189 PolarHBondContact O-N 2.87Å; D186-A189 WeakPolarHBondContact O-CA 3.28Å; D186-A189 WeakPolarHBondContact O-CB 3.49Å; D186-A189 PolarHBondContact O-N 3.08Å; K187-A189 VanDerWaalsContact C-N 3.31Å; K187-A189 PolarHBondContact O-N 3.46Å; A189-E191 VanDerWaalsContact C-N 3.31Å; A189-E191 PolarHBondContact O-N 3.34Å; A189-R192 WeakPolarHBondContact O-CB 3.11Å; A189-R192 PolarHBondContact O-N 2.91Å; A189-R192 VanDerWaalsContact O-N 3.09Å; A189-E193 PolarHBondContact O-N 2.96Å |
| 190 | F | 98.3 | Very high | 98.2 | Very high | 136 Ų | 136 | 99.8 Ų | 99.8 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.1 | -37.4 | 176 | -67.4 | -56.7 | 0 | 0 | 0 | 112.8 | D186 K187 E193 A194 | D186-F190 HydrophobicContact CB-CE2 4.27Å; D186-F190 WeakPolarHBondContact O-CD2 3.32Å; D186-F190 PolarHBondContact O-N 3.03Å; K187-F190 PolarHBondContact O-N 3.47Å; F190-E193 PolarHBondContact O-N 2.81Å; F190-A194 VanDerWaalsContact O-CB 3.26Å; F190-A194 WeakPolarHBondContact O-CB 2.95Å; F190-A194 PolarHBondContact O-N 2.89Å |
| 191 | E | 98.2 | Very high | 98.2 | Very high | 75 Ų | 75 | 98.3 Ų | 98.3 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 173.5 | -78.6 | -171.4 | -146.1 | 0 | 0 | 112.9 | K187 A189 R195 | K187-E191 WeakPolarHBondContact CE-OE1 3.38Å; K187-E191 IonicContact NZ-OE1 3.43Å; K187-E191 WeakPolarHBondContact O-CB 3.48Å; K187-E191 WeakPolarHBondContact O-CG 3.19Å; K187-E191 PolarHBondContact O-N 3.47Å; A189-E191 VanDerWaalsContact C-N 3.31Å; A189-E191 PolarHBondContact O-N 3.34Å; E191-R195 WeakPolarHBondContact O-CB 3.45Å; E191-R195 WeakPolarHBondContact O-CD 3.26Å; E191-R195 WeakPolarHBondContact O-CG 3.28Å; E191-R195 PolarHBondContact O-N 2.67Å; E191-R195 VanDerWaalsContact O-N 3.08Å; E191-R195 IonicContact OE2-CZ 2.66Å; E191-R195 IonicContact OE2-NH2 3.94Å; E191-R195 PolarHBondContact OE2-NH2 2.9Å |
| 192 | R | 98.3 | Very high | 98.2 | Very high | 146 Ų | 146 | 99 Ų | 99 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.4 | -47.1 | 174.2 | -70.3 | 169.1 | -158.5 | 115.5 | -6.7 | 110.8 | A188 A189 R195 Q196 | A188-R192 WeakPolarHBondContact O-CG 3.4Å; A188-R192 PolarHBondContact O-N 2.96Å; A188-R192 VanDerWaalsContact O-N 3.08Å; A188-R192 PolarHBondContact O-NH1 3.41Å; A189-R192 WeakPolarHBondContact O-CB 3.11Å; A189-R192 PolarHBondContact O-N 2.91Å; A189-R192 VanDerWaalsContact O-N 3.09Å; R192-R195 PolarHBondContact O-N 3.37Å; R192-Q196 VanDerWaalsContact O-CG 3.32Å; R192-Q196 WeakPolarHBondContact O-CG 3.39Å; R192-Q196 PolarHBondContact O-N 3.46Å |
| 193 | E | 98.3 | Very high | 98.2 | Very high | 75 Ų | 75 | 98 Ų | 98 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.6 | -79 | -165.9 | -129.7 | 0 | 0 | 112.4 | A189 F190 R195 Q196 R197 | A189-E193 PolarHBondContact O-N 2.96Å; F190-E193 PolarHBondContact O-N 2.81Å; E193-R195 VanDerWaalsContact C-N 3.32Å; E193-R195 PolarHBondContact O-N 2.86Å; E193-Q196 PolarHBondContact O-N 3.33Å; E193-R197 WeakPolarHBondContact O-CB 3.18Å; E193-R197 WeakPolarHBondContact O-CG 3.47Å; E193-R197 PolarHBondContact O-N 2.84Å; E193-R197 IonicContact OE2-CZ 3.63Å; E193-R197 IonicContact OE2-NE 3.75Å; E193-R197 IonicContact OE2-NH2 3.35Å; E193-R197 PolarHBondContact OE2-NH2 3.26Å |
| 194 | A | 97.7 | Very high | 98.1 | Very high | 53 Ų | 53 | 98.5 Ų | 98.5 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F190 R197 V198 | F190-A194 VanDerWaalsContact O-CB 3.26Å; F190-A194 WeakPolarHBondContact O-CB 2.95Å; F190-A194 PolarHBondContact O-N 2.89Å; A194-R197 PolarHBondContact O-N 3.47Å; A194-V198 WeakPolarHBondContact O-CB 3.26Å; A194-V198 WeakPolarHBondContact O-CG2 3.2Å; A194-V198 PolarHBondContact O-N 3.34Å |
| 195 | R | 97.9 | Very high | 98.1 | Very high | 147 Ų | 147 | 96.7 Ų | 96.7 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 175.2 | -68.2 | 167.3 | -160.5 | -176.7 | 8.1 | 111.8 | E191 R192 E193 V198 Q199 | E191-R195 WeakPolarHBondContact O-CB 3.45Å; E191-R195 WeakPolarHBondContact O-CD 3.26Å; E191-R195 WeakPolarHBondContact O-CG 3.28Å; E191-R195 PolarHBondContact O-N 2.67Å; E191-R195 VanDerWaalsContact O-N 3.08Å; E191-R195 IonicContact OE2-CZ 2.66Å; E191-R195 IonicContact OE2-NH2 3.94Å; E191-R195 PolarHBondContact OE2-NH2 2.9Å; R192-R195 PolarHBondContact O-N 3.37Å; E193-R195 VanDerWaalsContact C-N 3.32Å; E193-R195 PolarHBondContact O-N 2.86Å; R195-V198 PolarHBondContact O-N 3.22Å; R195-Q199 WeakPolarHBondContact O-CB 3.4Å; R195-Q199 VanDerWaalsContact O-CG 3.26Å; R195-Q199 WeakPolarHBondContact O-CG 3.25Å; R195-Q199 PolarHBondContact O-N 2.91Å |
| 196 | Q | 97.9 | Very high | 98 | Very high | 120 Ų | 120 | 96.6 Ų | 96.6 | 56% | 0.561 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 175.5 | -72.7 | 171.9 | 1.8 | 0 | 0 | 112.3 | R192 E193 Q199 S200 | R192-Q196 VanDerWaalsContact O-CG 3.32Å; R192-Q196 WeakPolarHBondContact O-CG 3.39Å; R192-Q196 PolarHBondContact O-N 3.46Å; E193-Q196 PolarHBondContact O-N 3.33Å; Q196-Q199 PolarHBondContact O-N 3.08Å; Q196-S200 WeakPolarHBondContact O-CB 3.43Å; Q196-S200 PolarHBondContact O-N 3.42Å |
| 197 | R | 97.9 | Very high | 98 | Very high | 152 Ų | 152 | 99.5 Ų | 99.5 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.5 | -48.8 | 176.4 | -69.6 | 168.7 | -167.7 | -151.9 | 7.5 | 110.2 | E193 A194 Q199 S200 L201 | E193-R197 WeakPolarHBondContact O-CB 3.18Å; E193-R197 WeakPolarHBondContact O-CG 3.47Å; E193-R197 PolarHBondContact O-N 2.84Å; E193-R197 IonicContact OE2-CZ 3.63Å; E193-R197 IonicContact OE2-NE 3.75Å; E193-R197 IonicContact OE2-NH2 3.35Å; E193-R197 PolarHBondContact OE2-NH2 3.26Å; A194-R197 PolarHBondContact O-N 3.47Å; R197-Q199 PolarHBondContact O-N 2.66Å; R197-S200 PolarHBondContact O-N 3.32Å; R197-S200 VanDerWaalsContact O-N 3.16Å; R197-S200 PolarHBondContact O-OG 3.43Å; R197-L201 WeakPolarHBondContact O-CG 3.42Å; R197-L201 PolarHBondContact O-N 3.03Å |
| 198 | V | 98.1 | Very high | 97.9 | Very high | 97 Ų | 97 | 100 Ų | 100 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.3 | -46.9 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | A194 R195 S200 L201 A202 | A194-V198 WeakPolarHBondContact O-CB 3.26Å; A194-V198 WeakPolarHBondContact O-CG2 3.2Å; A194-V198 PolarHBondContact O-N 3.34Å; R195-V198 PolarHBondContact O-N 3.22Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.2Å; V198-L201 PolarHBondContact O-N 2.8Å; V198-A202 WeakPolarHBondContact O-CB 3.08Å; V198-A202 PolarHBondContact O-N 3.17Å |
| 199 | Q | 97.8 | Very high | 97.9 | Very high | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 175.2 | -73.5 | 172.7 | 5.1 | 0 | 0 | 112.6 | R195 Q196 R197 R203 | R195-Q199 WeakPolarHBondContact O-CB 3.4Å; R195-Q199 VanDerWaalsContact O-CG 3.26Å; R195-Q199 WeakPolarHBondContact O-CG 3.25Å; R195-Q199 PolarHBondContact O-N 2.91Å; Q196-Q199 PolarHBondContact O-N 3.08Å; R197-Q199 PolarHBondContact O-N 2.66Å; Q199-R203 WeakPolarHBondContact O-CB 3.17Å; Q199-R203 VanDerWaalsContact O-CG 3.28Å; Q199-R203 WeakPolarHBondContact O-CG 3.32Å; Q199-R203 PolarHBondContact O-N 3.16Å |
| 200 | S | 97.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 101.8 Ų | 101.8 | 34% | 0.343 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.6 | -33.7 | 177.4 | 82.4 | 0 | 0 | 0 | 0 | 112.6 | Q196 R197 V198 R204 | Q196-S200 WeakPolarHBondContact O-CB 3.43Å; Q196-S200 PolarHBondContact O-N 3.42Å; R197-S200 PolarHBondContact O-N 3.32Å; R197-S200 VanDerWaalsContact O-N 3.16Å; R197-S200 PolarHBondContact O-OG 3.43Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.2Å; S200-R204 VanDerWaalsContact O-CG 3.29Å; S200-R204 WeakPolarHBondContact O-CG 3.49Å; S200-R204 PolarHBondContact O-N 2.93Å |
| 201 | L | 98.1 | Very high | 97.9 | Very high | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.3 | -43.9 | 174.9 | -69.8 | 172.2 | 0 | 0 | 0 | 111.5 | R197 V198 R203 R204 A205 | R197-L201 WeakPolarHBondContact O-CG 3.42Å; R197-L201 PolarHBondContact O-N 3.03Å; V198-L201 PolarHBondContact O-N 2.8Å; L201-R203 VanDerWaalsContact C-N 3.35Å; L201-R203 PolarHBondContact O-N 3.21Å; L201-R204 WeakPolarHBondContact O-CB 3.46Å; L201-R204 PolarHBondContact O-N 2.83Å; L201-A205 PolarHBondContact O-N 3.37Å |
| 202 | A | 98.1 | Very high | 97.8 | Very high | 42 Ų | 42 | 103.1 Ų | 103.1 | 35% | 0.347 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -54.8 | -50.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V198 R204 A205 E206 | V198-A202 WeakPolarHBondContact O-CB 3.08Å; V198-A202 PolarHBondContact O-N 3.17Å; A202-R204 PolarHBondContact O-N 3.15Å; A202-R204 VanDerWaalsContact O-N 3.15Å; A202-A205 PolarHBondContact O-N 2.87Å; A202-E206 WeakPolarHBondContact O-CB 3.42Å; A202-E206 VanDerWaalsContact O-CG 3.25Å; A202-E206 WeakPolarHBondContact O-CG 3.33Å; A202-E206 PolarHBondContact O-N 3.37Å |
| 203 | R | 97.7 | Very high | 97.8 | Very high | 144 Ų | 144 | 101.5 Ų | 101.5 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -19.8 | 175.3 | -72.1 | 173.2 | 178.1 | 179.6 | 0.5 | 114.8 | Q199 L201 E206 R207 | Q199-R203 WeakPolarHBondContact O-CB 3.17Å; Q199-R203 VanDerWaalsContact O-CG 3.28Å; Q199-R203 WeakPolarHBondContact O-CG 3.32Å; Q199-R203 PolarHBondContact O-N 3.16Å; L201-R203 VanDerWaalsContact C-N 3.35Å; L201-R203 PolarHBondContact O-N 3.21Å; R203-E206 WeakPolarHBondContact CA-OE2 3.3Å; R203-R207 WeakPolarHBondContact O-CD 3.48Å; R203-R207 WeakPolarHBondContact O-CG 3.4Å; R203-R207 PolarHBondContact O-NE 3.5Å |
| 204 | R | 97.8 | Very high | 97.8 | Very high | 145 Ų | 145 | 101.8 Ų | 101.8 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -81.9 | -50.1 | 171.5 | -73.4 | 169.3 | -173.2 | -163.3 | 2.1 | 110.3 | S200 L201 A202 E206 R207 E208 | S200-R204 VanDerWaalsContact O-CG 3.29Å; S200-R204 WeakPolarHBondContact O-CG 3.49Å; S200-R204 PolarHBondContact O-N 2.93Å; L201-R204 WeakPolarHBondContact O-CB 3.46Å; L201-R204 PolarHBondContact O-N 2.83Å; A202-R204 PolarHBondContact O-N 3.15Å; A202-R204 VanDerWaalsContact O-N 3.15Å; R204-E206 VanDerWaalsContact C-N 3.31Å; R204-E206 PolarHBondContact O-N 2.73Å; R204-R207 WeakPolarHBondContact O-CB 3.25Å; R204-R207 PolarHBondContact O-N 3.45Å; R204-E208 PolarHBondContact O-N 2.94Å |
| 205 | A | 97.8 | Very high | 97.8 | Very high | 55 Ų | 55 | 101.8 Ų | 101.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L201 A202 R207 E208 A209 | L201-A205 PolarHBondContact O-N 3.37Å; A202-A205 PolarHBondContact O-N 2.87Å; A205-R207 PolarHBondContact O-N 3.34Å; A205-E208 PolarHBondContact O-N 3.25Å; A205-A209 VanDerWaalsContact O-CB 3.25Å; A205-A209 WeakPolarHBondContact O-CB 3.29Å; A205-A209 PolarHBondContact O-N 2.98Å |
| 206 | E | 97.6 | Very high | 97.8 | Very high | 122 Ų | 122 | 100.3 Ų | 100.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.2 | -44.7 | 172.8 | -74.9 | 162 | -167.9 | 0 | 0 | 112.2 | A202 R203 R204 A210 | A202-E206 WeakPolarHBondContact O-CB 3.42Å; A202-E206 VanDerWaalsContact O-CG 3.25Å; A202-E206 WeakPolarHBondContact O-CG 3.33Å; A202-E206 PolarHBondContact O-N 3.37Å; R203-E206 WeakPolarHBondContact CA-OE2 3.3Å; R204-E206 VanDerWaalsContact C-N 3.31Å; R204-E206 PolarHBondContact O-N 2.73Å; E206-A210 VanDerWaalsContact O-CB 3.3Å; E206-A210 WeakPolarHBondContact O-CB 3.2Å; E206-A210 PolarHBondContact O-N 3Å |
| 207 | R | 97.7 | Very high | 97.7 | Very high | 151 Ų | 151 | 97.7 Ų | 97.7 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.5 | -37.3 | 179 | -67.5 | 165.2 | -171.4 | 164.2 | -1.5 | 111.9 | R203 R204 A205 R211 | R203-R207 WeakPolarHBondContact O-CD 3.48Å; R203-R207 WeakPolarHBondContact O-CG 3.4Å; R203-R207 PolarHBondContact O-NE 3.5Å; R204-R207 WeakPolarHBondContact O-CB 3.25Å; R204-R207 PolarHBondContact O-N 3.45Å; A205-R207 PolarHBondContact O-N 3.34Å; R207-R211 WeakPolarHBondContact O-CB 3.45Å; R207-R211 WeakPolarHBondContact O-CD 3.47Å; R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.05Å |
| 208 | E | 97.5 | Very high | 97.7 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.5 | -41.8 | 177.6 | -74.6 | 160.7 | -156.5 | 0 | 0 | 111.2 | R204 A205 R211 A212 | R204-E208 PolarHBondContact O-N 2.94Å; A205-E208 PolarHBondContact O-N 3.25Å; E208-R211 PolarHBondContact O-N 3.45Å; E208-A212 WeakPolarHBondContact O-CB 3.31Å; E208-A212 PolarHBondContact O-N 2.81Å |
| 209 | A | 97.9 | Very high | 97.7 | Very high | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A205 R211 A212 L213 | A205-A209 VanDerWaalsContact O-CB 3.25Å; A205-A209 WeakPolarHBondContact O-CB 3.29Å; A205-A209 PolarHBondContact O-N 2.98Å; A209-R211 PolarHBondContact O-N 3.36Å; A209-A212 PolarHBondContact O-N 3.32Å; A209-L213 WeakPolarHBondContact O-CB 3.27Å; A209-L213 VanDerWaalsContact O-CG 3.31Å; A209-L213 WeakPolarHBondContact O-CG 3.33Å; A209-L213 PolarHBondContact O-N 3.01Å |
| 210 | A | 97.9 | Very high | 97.7 | Very high | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E206 L213 V214 | E206-A210 VanDerWaalsContact O-CB 3.3Å; E206-A210 WeakPolarHBondContact O-CB 3.2Å; E206-A210 PolarHBondContact O-N 3Å; A210-L213 PolarHBondContact O-N 3.45Å; A210-V214 WeakPolarHBondContact O-CG2 3.41Å; A210-V214 PolarHBondContact O-N 2.91Å |
| 211 | R | 97.7 | Very high | 97.7 | Very high | 180 Ų | 180 | 97.3 Ų | 97.3 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 173.6 | -75.2 | 164.7 | 174.9 | -177.7 | -4.3 | 111.8 | R207 E208 A209 V214 A215 | R207-R211 WeakPolarHBondContact O-CB 3.45Å; R207-R211 WeakPolarHBondContact O-CD 3.47Å; R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.05Å; E208-R211 PolarHBondContact O-N 3.45Å; A209-R211 PolarHBondContact O-N 3.36Å; R211-V214 PolarHBondContact O-N 2.76Å; R211-A215 WeakPolarHBondContact O-CB 3.43Å; R211-A215 PolarHBondContact O-N 3.38Å |
| 212 | A | 97.3 | Very high | 97.7 | Very high | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E208 A209 A215 H216 | E208-A212 WeakPolarHBondContact O-CB 3.31Å; E208-A212 PolarHBondContact O-N 2.81Å; A209-A212 PolarHBondContact O-N 3.32Å; A212-A215 PolarHBondContact O-N 2.92Å; A212-H216 VanDerWaalsContact O-CB 3.25Å; A212-H216 WeakPolarHBondContact O-CB 3.45Å; A212-H216 PolarHBondContact O-N 2.9Å |
| 213 | L | 97.9 | Very high | 97.6 | Very high | 112 Ų | 112 | 96.4 Ų | 96.4 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 175.7 | -72.8 | 171.2 | 0 | 0 | 0 | 112.5 | A209 A210 T217 | A209-L213 WeakPolarHBondContact O-CB 3.27Å; A209-L213 VanDerWaalsContact O-CG 3.31Å; A209-L213 WeakPolarHBondContact O-CG 3.33Å; A209-L213 PolarHBondContact O-N 3.01Å; A210-L213 PolarHBondContact O-N 3.45Å; L213-T217 VanDerWaalsContact O-CB 3.27Å; L213-T217 WeakPolarHBondContact O-CB 3.41Å; L213-T217 PolarHBondContact O-N 2.92Å; L213-T217 PolarHBondContact O-OG1 2.96Å |
| 214 | V | 97.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 93 Ų | 93 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 111 | A210 R211 H216 T217 Q218 | A210-V214 WeakPolarHBondContact O-CG2 3.41Å; A210-V214 PolarHBondContact O-N 2.91Å; R211-V214 PolarHBondContact O-N 2.76Å; V214-H216 PolarHBondContact O-N 2.87Å; V214-T217 PolarHBondContact O-N 3.24Å; V214-Q218 HydrophobicContact CG1-CG 4.49Å; V214-Q218 WeakPolarHBondContact O-CG 3.25Å; V214-Q218 PolarHBondContact O-N 3.5Å |
| 215 | A | 97.6 | Very high | 97.6 | Very high | 54 Ų | 54 | 87.4 Ų | 87.4 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R211 A212 T217 Q218 A219 | R211-A215 WeakPolarHBondContact O-CB 3.43Å; R211-A215 PolarHBondContact O-N 3.38Å; A212-A215 PolarHBondContact O-N 2.92Å; A215-T217 VanDerWaalsContact C-N 3.35Å; A215-T217 PolarHBondContact O-N 3.36Å; A215-Q218 PolarHBondContact O-N 2.87Å; A215-A219 PolarHBondContact O-N 3.24Å |
| 216 | H | 97.8 | Very high | 97.6 | Very high | 116 Ų | 116 | 91.8 Ų | 91.8 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175 | 179.4 | -113.6 | 0 | 0 | 0 | 112 | A212 V214 Q218 A219 I220 | A212-H216 VanDerWaalsContact O-CB 3.25Å; A212-H216 WeakPolarHBondContact O-CB 3.45Å; A212-H216 PolarHBondContact O-N 2.9Å; V214-H216 PolarHBondContact O-N 2.87Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; H216-Q218 PolarHBondContact O-N 2.87Å; H216-A219 PolarHBondContact O-N 2.88Å; H216-I220 VanDerWaalsContact CE1-CD1 3.41Å; H216-I220 WeakPolarHBondContact CE1-CD1 3.47Å; H216-I220 WeakPolarHBondContact O-CG1 3.28Å; H216-I220 PolarHBondContact O-N 2.92Å |
| 217 | T | 97.4 | Very high | 97.6 | Very high | 65 Ų | 65 | 90.4 Ų | 90.4 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 112 | L213 V214 A215 K221 | L213-T217 VanDerWaalsContact O-CB 3.27Å; L213-T217 WeakPolarHBondContact O-CB 3.41Å; L213-T217 PolarHBondContact O-N 2.92Å; L213-T217 PolarHBondContact O-OG1 2.96Å; V214-T217 PolarHBondContact O-N 3.24Å; A215-T217 VanDerWaalsContact C-N 3.35Å; A215-T217 PolarHBondContact O-N 3.36Å; T217-K221 HydrophobicContact CG2-CD 4.45Å; T217-K221 WeakPolarHBondContact O-CB 3.32Å; T217-K221 VanDerWaalsContact O-CG 3.28Å; T217-K221 WeakPolarHBondContact O-CG 3.15Å; T217-K221 PolarHBondContact O-N 2.98Å; T217-K221 VanDerWaalsContact O-N 3.08Å |
| 218 | Q | 97.4 | Very high | 97.5 | Very high | 125 Ų | 125 | 91.4 Ų | 91.4 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.7 | -42 | 173.6 | -74 | 172.3 | -7.2 | 0 | 0 | 111.8 | V214 A215 H216 K221 A222 | V214-Q218 HydrophobicContact CG1-CG 4.49Å; V214-Q218 WeakPolarHBondContact O-CG 3.25Å; V214-Q218 PolarHBondContact O-N 3.5Å; A215-Q218 PolarHBondContact O-N 2.87Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; H216-Q218 PolarHBondContact O-N 2.87Å; Q218-K221 PolarHBondContact O-N 2.99Å; Q218-A222 PolarHBondContact O-N 3.08Å |
| 219 | A | 97.4 | Very high | 97.5 | Very high | 46 Ų | 46 | 91.7 Ų | 91.7 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A215 H216 K221 A222 D223 | A215-A219 PolarHBondContact O-N 3.24Å; H216-A219 PolarHBondContact O-N 2.88Å; A219-K221 VanDerWaalsContact C-N 3.25Å; A219-K221 PolarHBondContact O-N 3.24Å; A219-A222 WeakPolarHBondContact O-CA 3.4Å; A219-A222 WeakPolarHBondContact O-CB 3.41Å; A219-A222 PolarHBondContact O-N 2.95Å; A219-D223 PolarHBondContact O-N 3.36Å |
| 220 | I | 97.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 93.9 Ų | 93.9 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.1 | -40.1 | 175.3 | -73.1 | 175 | 0 | 0 | 0 | 111.7 | H216 N224 | H216-I220 VanDerWaalsContact CE1-CD1 3.41Å; H216-I220 WeakPolarHBondContact CE1-CD1 3.47Å; H216-I220 WeakPolarHBondContact O-CG1 3.28Å; H216-I220 PolarHBondContact O-N 2.92Å; I220-N224 VanDerWaalsContact O-CB 3.31Å; I220-N224 WeakPolarHBondContact O-CB 3.31Å; I220-N224 PolarHBondContact O-N 3.21Å; I220-N224 PolarHBondContact O-ND2 3.13Å |
| 221 | K | 98 | Very high | 97.4 | Very high | 148 Ų | 148 | 96.5 Ų | 96.5 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 175.6 | -77.4 | 173.7 | 179.2 | -177.6 | 0 | 112.6 | T217 Q218 A219 G225 | T217-K221 HydrophobicContact CG2-CD 4.45Å; T217-K221 WeakPolarHBondContact O-CB 3.32Å; T217-K221 VanDerWaalsContact O-CG 3.28Å; T217-K221 WeakPolarHBondContact O-CG 3.15Å; T217-K221 PolarHBondContact O-N 2.98Å; T217-K221 VanDerWaalsContact O-N 3.08Å; Q218-K221 PolarHBondContact O-N 2.99Å; A219-K221 VanDerWaalsContact C-N 3.25Å; A219-K221 PolarHBondContact O-N 3.24Å; K221-G225 PolarHBondContact O-N 3.21Å |
| 222 | A | 97.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 92.7 Ų | 92.7 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q218 A219 G225 R226 | Q218-A222 PolarHBondContact O-N 3.08Å; A219-A222 WeakPolarHBondContact O-CA 3.4Å; A219-A222 WeakPolarHBondContact O-CB 3.41Å; A219-A222 PolarHBondContact O-N 2.95Å; A222-G225 CarbonylContact O-C 3.59Å; A222-G225 WeakPolarHBondContact O-CA 3.41Å; A222-G225 PolarHBondContact O-N 2.82Å; A222-R226 PolarHBondContact O-N 3.08Å |
| 223 | D | 97.3 | Very high | 97.3 | Very high | 71 Ų | 71 | 96.1 Ų | 96.1 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 179.6 | -64.6 | -36.9 | 0 | 0 | 0 | 112 | A219 G225 R226 L227 | A219-D223 PolarHBondContact O-N 3.36Å; D223-G225 PolarHBondContact O-N 2.92Å; D223-R226 PolarHBondContact O-N 3.04Å; D223-R226 IonicContact OD1-CZ 3.25Å; D223-R226 IonicContact OD1-NH1 2.91Å; D223-R226 PolarHBondContact OD1-NH1 3.49Å; D223-L227 WeakPolarHBondContact O-CG 3.32Å; D223-L227 PolarHBondContact O-N 2.89Å |
| 224 | N | 97.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 95.8 Ų | 95.8 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 167.4 | -85.6 | -91.3 | 0 | 0 | 0 | 112.3 | I220 R228 | I220-N224 VanDerWaalsContact O-CB 3.31Å; I220-N224 WeakPolarHBondContact O-CB 3.31Å; I220-N224 PolarHBondContact O-N 3.21Å; I220-N224 PolarHBondContact O-ND2 3.13Å; N224-R228 WeakPolarHBondContact O-CB 3.49Å; N224-R228 VanDerWaalsContact O-CD 3.32Å; N224-R228 WeakPolarHBondContact O-CD 3.3Å; N224-R228 WeakPolarHBondContact O-CG 3.44Å; N224-R228 PolarHBondContact O-N 3.46Å; N224-R228 VanDerWaalsContact O-N 3.13Å |
| 225 | G | 96.8 | Very high | 97.2 | Very high | 27 Ų | 27 | 96.8 Ų | 96.8 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -47.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | K221 A222 D223 R228 Q229 | K221-G225 PolarHBondContact O-N 3.21Å; A222-G225 CarbonylContact O-C 3.59Å; A222-G225 WeakPolarHBondContact O-CA 3.41Å; A222-G225 PolarHBondContact O-N 2.82Å; D223-G225 PolarHBondContact O-N 2.92Å; G225-R228 PolarHBondContact O-N 2.96Å; G225-Q229 WeakPolarHBondContact O-CG 3.35Å; G225-Q229 PolarHBondContact O-N 3.2Å; G225-Q229 VanDerWaalsContact O-N 3.08Å |
| 226 | R | 97.2 | Very high | 97.1 | Very high | 146 Ų | 146 | 102.4 Ų | 102.4 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.3 | -53.2 | 175.7 | -69.5 | 168.9 | 169.2 | 175 | -12.4 | 111.7 | A222 D223 R228 Q229 E230 | A222-R226 PolarHBondContact O-N 3.08Å; D223-R226 PolarHBondContact O-N 3.04Å; D223-R226 IonicContact OD1-CZ 3.25Å; D223-R226 IonicContact OD1-NH1 2.91Å; D223-R226 PolarHBondContact OD1-NH1 3.49Å; R226-R228 VanDerWaalsContact C-N 3.26Å; R226-R228 PolarHBondContact O-N 3Å; R226-Q229 WeakPolarHBondContact O-CA 3.23Å; R226-Q229 WeakPolarHBondContact O-CB 3.41Å; R226-Q229 PolarHBondContact O-N 2.91Å; R226-E230 WeakPolarHBondContact O-CG 3.38Å; R226-E230 PolarHBondContact O-N 3.38Å |
| 227 | L | 97.6 | Very high | 97 | Very high | 93 Ų | 93 | 105.2 Ų | 105.2 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -37.5 | 178.3 | -68.6 | 169.8 | 0 | 0 | 0 | 112.4 | D223 E230 L231 | D223-L227 WeakPolarHBondContact O-CG 3.32Å; D223-L227 PolarHBondContact O-N 2.89Å; L227-E230 PolarHBondContact O-N 3.32Å; L227-L231 WeakPolarHBondContact O-CB 3.39Å; L227-L231 VanDerWaalsContact O-CG 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 3.25Å |
| 228 | R | 97 | Very high | 97 | Very high | 172 Ų | 172 | 105.1 Ų | 105.1 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -37.2 | 173.9 | -74.2 | 168.1 | -175.2 | -168.8 | -0.1 | 112.8 | N224 G225 R226 L232 | N224-R228 WeakPolarHBondContact O-CB 3.49Å; N224-R228 VanDerWaalsContact O-CD 3.32Å; N224-R228 WeakPolarHBondContact O-CD 3.3Å; N224-R228 WeakPolarHBondContact O-CG 3.44Å; N224-R228 PolarHBondContact O-N 3.46Å; N224-R228 VanDerWaalsContact O-N 3.13Å; G225-R228 PolarHBondContact O-N 2.96Å; R226-R228 VanDerWaalsContact C-N 3.26Å; R226-R228 PolarHBondContact O-N 3Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.47Å; R228-L232 PolarHBondContact O-N 2.93Å; R228-L232 VanDerWaalsContact O-N 3.08Å |
| 229 | Q | 96.8 | Very high | 96.9 | Very high | 123 Ų | 123 | 104.6 Ų | 104.6 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -42.8 | 174.7 | -68.8 | 171.1 | 7.5 | 0 | 0 | 111.2 | G225 R226 L232 Q233 | G225-Q229 WeakPolarHBondContact O-CG 3.35Å; G225-Q229 PolarHBondContact O-N 3.2Å; G225-Q229 VanDerWaalsContact O-N 3.08Å; R226-Q229 WeakPolarHBondContact O-CA 3.23Å; R226-Q229 WeakPolarHBondContact O-CB 3.41Å; R226-Q229 PolarHBondContact O-N 2.91Å; Q229-L232 PolarHBondContact O-N 3.22Å; Q229-Q233 WeakPolarHBondContact O-CG 3.33Å; Q229-Q233 PolarHBondContact O-N 2.9Å |
| 230 | E | 96.8 | Very high | 96.8 | Very high | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 175 | -70.3 | 163.2 | -154.8 | 0 | 0 | 111.4 | R226 L227 L232 Q233 L234 | R226-E230 WeakPolarHBondContact O-CG 3.38Å; R226-E230 PolarHBondContact O-N 3.38Å; L227-E230 PolarHBondContact O-N 3.32Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.37Å; E230-Q233 PolarHBondContact O-N 3.49Å; E230-L234 WeakPolarHBondContact O-CG 3.46Å; E230-L234 PolarHBondContact O-N 2.89Å |
| 231 | L | 97.4 | Very high | 96.7 | Very high | 106 Ų | 106 | 109.3 Ų | 109.3 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.1 | -41.7 | 174.2 | -74 | 168.4 | 0 | 0 | 0 | 112.3 | L227 L234 L235 | L227-L231 WeakPolarHBondContact O-CB 3.39Å; L227-L231 VanDerWaalsContact O-CG 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 3.25Å; L231-L234 PolarHBondContact O-N 3.08Å; L231-L235 WeakPolarHBondContact O-CB 3.29Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.02Å |
| 232 | L | 97.4 | Very high | 96.6 | Very high | 100 Ų | 100 | 107.5 Ų | 107.5 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 176.2 | -73.4 | 170 | 0 | 0 | 0 | 112.9 | R228 Q229 E230 R236 | R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.47Å; R228-L232 PolarHBondContact O-N 2.93Å; R228-L232 VanDerWaalsContact O-N 3.08Å; Q229-L232 PolarHBondContact O-N 3.22Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.37Å; L232-R236 WeakPolarHBondContact O-CG 3.35Å; L232-R236 PolarHBondContact O-N 2.91Å |
| 233 | Q | 96.3 | Very high | 96.5 | Very high | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 173.4 | -70.9 | 175.4 | 29.8 | 0 | 0 | 111.4 | Q229 E230 R236 R237 | Q229-Q233 WeakPolarHBondContact O-CG 3.33Å; Q229-Q233 PolarHBondContact O-N 2.9Å; E230-Q233 PolarHBondContact O-N 3.49Å; Q233-R236 PolarHBondContact O-N 3.34Å; Q233-R237 WeakPolarHBondContact O-CB 3.26Å; Q233-R237 PolarHBondContact O-N 2.84Å |
| 234 | L | 96.5 | Very high | 96.3 | Very high | 104 Ų | 104 | 107.5 Ų | 107.5 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.5 | -70.7 | 171.6 | 0 | 0 | 0 | 111.7 | E230 L231 R237 T238 | E230-L234 WeakPolarHBondContact O-CG 3.46Å; E230-L234 PolarHBondContact O-N 2.89Å; L231-L234 PolarHBondContact O-N 3.08Å; L234-R237 PolarHBondContact O-N 2.91Å; L234-T238 PolarHBondContact O-N 2.94Å; L234-T238 PolarHBondContact O-OG1 2.97Å |
| 235 | L | 95.8 | Very high | 96.2 | Very high | 101 Ų | 101 | 111.9 Ų | 111.9 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 175.7 | -75.2 | 168.8 | 0 | 0 | 0 | 112.8 | L231 R237 T238 Q239 | L231-L235 WeakPolarHBondContact O-CB 3.29Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 3.02Å; L235-R237 VanDerWaalsContact C-N 3.33Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 PolarHBondContact O-OG1 3.39Å; L235-Q239 WeakPolarHBondContact O-CB 3.46Å; L235-Q239 VanDerWaalsContact O-CG 3.26Å; L235-Q239 WeakPolarHBondContact O-CG 3.47Å; L235-Q239 PolarHBondContact O-N 3.06Å |
| 236 | R | 95.3 | Very high | 96.1 | Very high | 172 Ų | 172 | 117.6 Ų | 117.6 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 172.8 | -72.1 | 173.7 | -178 | -173.9 | 0.5 | 111.8 | L232 Q233 Q239 L240 | L232-R236 WeakPolarHBondContact O-CG 3.35Å; L232-R236 PolarHBondContact O-N 2.91Å; Q233-R236 PolarHBondContact O-N 3.34Å; R236-Q239 PolarHBondContact O-N 3.17Å; R236-L240 WeakPolarHBondContact O-CG 3.34Å; R236-L240 PolarHBondContact O-N 2.87Å |
| 237 | R | 96.6 | Very high | 95.9 | Very high | 175 Ų | 175 | 115.5 Ų | 115.5 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.1 | -39.1 | 177.6 | -170.2 | 175.5 | -177.5 | 173.3 | 1.1 | 112 | Q233 L234 L235 L241 | Q233-R237 WeakPolarHBondContact O-CB 3.26Å; Q233-R237 PolarHBondContact O-N 2.84Å; L234-R237 PolarHBondContact O-N 2.91Å; L235-R237 VanDerWaalsContact C-N 3.33Å; R237-L241 HydrophobicContact CG-CD1 4.27Å; R237-L241 WeakPolarHBondContact O-CB 3.37Å; R237-L241 VanDerWaalsContact O-CG 3.25Å; R237-L241 WeakPolarHBondContact O-CG 3.42Å; R237-L241 PolarHBondContact O-N 2.71Å |
| 238 | T | 96 | Very high | 95.7 | Very high | 64 Ų | 64 | 116.3 Ų | 116.3 | 39% | 0.393 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 174.3 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | L234 L235 L241 H242 | L234-T238 PolarHBondContact O-N 2.94Å; L234-T238 PolarHBondContact O-OG1 2.97Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 PolarHBondContact O-OG1 3.39Å; T238-L241 CarbonylContact O-C 3.57Å; T238-L241 PolarHBondContact O-N 3Å; T238-H242 PolarHBondContact O-CD2 3.24Å; T238-H242 PolarHBondContact O-N 2.97Å |
| 239 | Q | 95.5 | Very high | 95.6 | Very high | 113 Ų | 113 | 112.2 Ų | 112.2 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.2 | -53.8 | 171.1 | -75.4 | 168.7 | -23.4 | 0 | 0 | 111.6 | L235 R236 L241 H242 D243 | L235-Q239 WeakPolarHBondContact O-CB 3.46Å; L235-Q239 VanDerWaalsContact O-CG 3.26Å; L235-Q239 WeakPolarHBondContact O-CG 3.47Å; L235-Q239 PolarHBondContact O-N 3.06Å; R236-Q239 PolarHBondContact O-N 3.17Å; Q239-L241 VanDerWaalsContact C-N 3.26Å; Q239-L241 PolarHBondContact O-N 3.41Å; Q239-H242 WeakPolarHBondContact O-CA 3.42Å; Q239-H242 WeakPolarHBondContact O-CB 3.4Å; Q239-H242 PolarHBondContact O-N 2.94Å; Q239-D243 PolarHBondContact O-N 2.82Å |
| 240 | L | 96.3 | Very high | 95.4 | Very high | 118 Ų | 118 | 111.1 Ų | 111.1 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58 | -35.7 | 176.4 | -71.1 | 168.5 | 0 | 0 | 0 | 113.2 | R236 T244 | R236-L240 WeakPolarHBondContact O-CG 3.34Å; R236-L240 PolarHBondContact O-N 2.87Å; L240-T244 WeakPolarHBondContact O-CB 3.25Å; L240-T244 WeakPolarHBondContact O-CG2 3.46Å; L240-T244 PolarHBondContact O-N 3.2Å; L240-T244 PolarHBondContact O-OG1 3.17Å |
| 241 | L | 95.3 | Very high | 95.2 | Very high | 105 Ų | 105 | 111.4 Ų | 111.4 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.5 | -29 | 174.7 | -71.9 | 169.1 | 0 | 0 | 0 | 113.1 | R237 T238 Q239 T244 R245 | R237-L241 HydrophobicContact CG-CD1 4.27Å; R237-L241 WeakPolarHBondContact O-CB 3.37Å; R237-L241 VanDerWaalsContact O-CG 3.25Å; R237-L241 WeakPolarHBondContact O-CG 3.42Å; R237-L241 PolarHBondContact O-N 2.71Å; T238-L241 CarbonylContact O-C 3.57Å; T238-L241 PolarHBondContact O-N 3Å; Q239-L241 VanDerWaalsContact C-N 3.26Å; Q239-L241 PolarHBondContact O-N 3.41Å; L241-T244 WeakPolarHBondContact CA-OG1 3.39Å; L241-T244 PolarHBondContact O-OG1 2.89Å; L241-R245 WeakPolarHBondContact O-CB 3.34Å; L241-R245 PolarHBondContact O-N 3.01Å; L241-R245 VanDerWaalsContact O-N 3.14Å |
| 242 | H | 95.2 | Very high | 94.9 | Very high | 111 Ų | 111 | 113.8 Ų | 113.8 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.1 | -41 | 172 | -75.7 | -62.7 | 0 | 0 | 0 | 111.6 | T238 Q239 R245 R246 | T238-H242 PolarHBondContact O-CD2 3.24Å; T238-H242 PolarHBondContact O-N 2.97Å; Q239-H242 WeakPolarHBondContact O-CA 3.42Å; Q239-H242 WeakPolarHBondContact O-CB 3.4Å; Q239-H242 PolarHBondContact O-N 2.94Å; H242-R245 PolarHBondContact O-N 3.46Å; H242-R246 WeakPolarHBondContact O-CG 3.26Å; H242-R246 PolarHBondContact O-N 2.95Å |
| 243 | D | 94.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 113.8 Ų | 113.8 | 34% | 0.342 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.6 | -40.3 | -178.6 | -64.2 | -35.8 | 0 | 0 | 0 | 112.1 | Q239 R245 R246 Q247 | Q239-D243 PolarHBondContact O-N 2.82Å; D243-R245 VanDerWaalsContact C-N 3.3Å; D243-R245 PolarHBondContact O-N 2.71Å; D243-R246 WeakPolarHBondContact O-CB 3.13Å; D243-R246 PolarHBondContact O-N 2.97Å; D243-R246 IonicContact OD1-CZ 2.67Å; D243-R246 IonicContact OD1-NH1 3.87Å; D243-R246 PolarHBondContact OD1-NH1 2.91Å; D243-Q247 WeakPolarHBondContact O-CG 3.46Å; D243-Q247 PolarHBondContact O-N 3.13Å |
| 244 | T | 93.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 112.3 Ų | 112.3 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -33.4 | 169.2 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | L240 L241 Q247 L248 | L240-T244 WeakPolarHBondContact O-CB 3.25Å; L240-T244 WeakPolarHBondContact O-CG2 3.46Å; L240-T244 PolarHBondContact O-N 3.2Å; L240-T244 PolarHBondContact O-OG1 3.17Å; L241-T244 WeakPolarHBondContact CA-OG1 3.39Å; L241-T244 PolarHBondContact O-OG1 2.89Å; T244-Q247 PolarHBondContact O-N 3.44Å; T244-L248 WeakPolarHBondContact O-CB 3.4Å; T244-L248 VanDerWaalsContact O-CG 3.26Å; T244-L248 WeakPolarHBondContact O-CG 3.43Å; T244-L248 PolarHBondContact O-N 3.04Å |
| 245 | R | 95.1 | Very high | 94 | Very high | 166 Ų | 166 | 111.8 Ų | 111.8 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -36.8 | 171.1 | 178.1 | 176.4 | 173.3 | -179.3 | -2 | 112.7 | L241 H242 D243 L249 | L241-R245 WeakPolarHBondContact O-CB 3.34Å; L241-R245 PolarHBondContact O-N 3.01Å; L241-R245 VanDerWaalsContact O-N 3.14Å; H242-R245 PolarHBondContact O-N 3.46Å; D243-R245 VanDerWaalsContact C-N 3.3Å; D243-R245 PolarHBondContact O-N 2.71Å; R245-L249 HydrophobicContact CG-CD1 4.25Å; R245-L249 VanDerWaalsContact O-CG 3.29Å; R245-L249 WeakPolarHBondContact O-CG 3.45Å; R245-L249 PolarHBondContact O-N 3.49Å; R245-L249 VanDerWaalsContact O-N 3.13Å |
| 246 | R | 94.3 | Very high | 93.7 | Very high | 146 Ų | 146 | 111 Ų | 111 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -52.8 | 172.4 | -74.7 | 164.5 | 168.7 | 159.2 | -9 | 110.4 | H242 D243 L248 L249 E250 | H242-R246 WeakPolarHBondContact O-CG 3.26Å; H242-R246 PolarHBondContact O-N 2.95Å; D243-R246 WeakPolarHBondContact O-CB 3.13Å; D243-R246 PolarHBondContact O-N 2.97Å; D243-R246 IonicContact OD1-CZ 2.67Å; D243-R246 IonicContact OD1-NH1 3.87Å; D243-R246 PolarHBondContact OD1-NH1 2.91Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 3.28Å; R246-L249 CarbonylContact O-C 3.6Å; R246-L249 WeakPolarHBondContact O-CA 3.45Å; R246-L249 WeakPolarHBondContact O-CB 3.29Å; R246-L249 PolarHBondContact O-N 3.18Å; R246-E250 WeakPolarHBondContact O-CG 3.47Å; R246-E250 PolarHBondContact O-N 3.47Å |
| 247 | Q | 93.5 | Very high | 93.2 | Very high | 103 Ų | 103 | 108.8 Ų | 108.8 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.5 | -42.1 | 177.6 | -70 | 167.5 | -9.6 | 0 | 0 | 112.6 | D243 T244 L249 E250 Q251 | D243-Q247 WeakPolarHBondContact O-CG 3.46Å; D243-Q247 PolarHBondContact O-N 3.13Å; T244-Q247 PolarHBondContact O-N 3.44Å; Q247-L249 VanDerWaalsContact C-N 3.35Å; Q247-L249 PolarHBondContact O-N 3.14Å; Q247-E250 PolarHBondContact O-N 2.73Å; Q247-Q251 VanDerWaalsContact O-CB 3.29Å; Q247-Q251 WeakPolarHBondContact O-CB 3.27Å; Q247-Q251 VanDerWaalsContact O-CG 3.26Å; Q247-Q251 WeakPolarHBondContact O-CG 3.39Å; Q247-Q251 PolarHBondContact O-N 3.43Å |
| 248 | L | 94.4 | Very high | 92.7 | Very high | 110 Ų | 110 | 105.5 Ų | 105.5 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.8 | -27.9 | 176.7 | -73.5 | 169.3 | 0 | 0 | 0 | 113.5 | T244 R246 R252 | T244-L248 WeakPolarHBondContact O-CB 3.4Å; T244-L248 VanDerWaalsContact O-CG 3.26Å; T244-L248 WeakPolarHBondContact O-CG 3.43Å; T244-L248 PolarHBondContact O-N 3.04Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 3.28Å; L248-R252 VanDerWaalsContact O-CB 3.24Å; L248-R252 WeakPolarHBondContact O-CB 3.45Å; L248-R252 PolarHBondContact O-N 3.36Å |
| 249 | L | 94.8 | Very high | 92.2 | Very high | 85 Ų | 85 | 107 Ų | 107 | 45% | 0.445 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.4 | -44.3 | 171.7 | -72 | 168.5 | 0 | 0 | 0 | 110.8 | R245 R246 Q247 R252 E253 | R245-L249 HydrophobicContact CG-CD1 4.25Å; R245-L249 VanDerWaalsContact O-CG 3.29Å; R245-L249 WeakPolarHBondContact O-CG 3.45Å; R245-L249 PolarHBondContact O-N 3.49Å; R245-L249 VanDerWaalsContact O-N 3.13Å; R246-L249 CarbonylContact O-C 3.6Å; R246-L249 WeakPolarHBondContact O-CA 3.45Å; R246-L249 WeakPolarHBondContact O-CB 3.29Å; R246-L249 PolarHBondContact O-N 3.18Å; Q247-L249 VanDerWaalsContact C-N 3.35Å; Q247-L249 PolarHBondContact O-N 3.14Å; L249-R252 CarbonylContact O-C 3.57Å; L249-R252 WeakPolarHBondContact O-CB 3.49Å; L249-R252 PolarHBondContact O-N 2.93Å; L249-R252 VanDerWaalsContact O-N 3.15Å; L249-E253 WeakPolarHBondContact O-CG 3.29Å; L249-E253 PolarHBondContact O-N 2.97Å |
| 250 | E | 93.3 | Very high | 91.6 | Very high | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.8 | -70.5 | 158.4 | -160 | 0 | 0 | 111.4 | R246 Q247 E253 Q254 | R246-E250 WeakPolarHBondContact O-CG 3.47Å; R246-E250 PolarHBondContact O-N 3.47Å; Q247-E250 PolarHBondContact O-N 2.73Å; E250-E253 PolarHBondContact O-N 3.42Å; E250-Q254 WeakPolarHBondContact O-CB 3.26Å; E250-Q254 VanDerWaalsContact O-CG 3.27Å; E250-Q254 WeakPolarHBondContact O-CG 3.32Å; E250-Q254 PolarHBondContact O-N 2.84Å |
| 251 | Q | 90.6 | Very high | 90.7 | Very high | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 172.5 | -77 | 177.1 | -12.4 | 0 | 0 | 112.2 | Q247 E253 Q254 L255 | Q247-Q251 VanDerWaalsContact O-CB 3.29Å; Q247-Q251 WeakPolarHBondContact O-CB 3.27Å; Q247-Q251 VanDerWaalsContact O-CG 3.26Å; Q247-Q251 WeakPolarHBondContact O-CG 3.39Å; Q247-Q251 PolarHBondContact O-N 3.43Å; Q251-E253 VanDerWaalsContact C-N 3.34Å; Q251-Q254 PolarHBondContact O-N 3.15Å; Q251-L255 WeakPolarHBondContact O-CB 3.48Å; Q251-L255 VanDerWaalsContact O-CG 3.29Å; Q251-L255 WeakPolarHBondContact O-CG 3.46Å; Q251-L255 PolarHBondContact O-N 2.83Å |
| 252 | R | 93.1 | Very high | 89.9 | Confident | 157 Ų | 157 | 103.9 Ų | 103.9 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 175.1 | 177.3 | 177.2 | 172.6 | -170.5 | -4.2 | 111.7 | L248 L249 H256 | L248-R252 VanDerWaalsContact O-CB 3.24Å; L248-R252 WeakPolarHBondContact O-CB 3.45Å; L248-R252 PolarHBondContact O-N 3.36Å; L249-R252 CarbonylContact O-C 3.57Å; L249-R252 WeakPolarHBondContact O-CB 3.49Å; L249-R252 PolarHBondContact O-N 2.93Å; L249-R252 VanDerWaalsContact O-N 3.15Å; R252-H256 WeakPolarHBondContact O-CB 3.39Å; R252-H256 PolarHBondContact O-CD2 3.07Å; R252-H256 PolarHBondContact O-N 2.82Å |
| 253 | E | 92.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 104.7 Ų | 104.7 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 175.1 | -70 | -177.5 | -163.5 | 0 | 0 | 112.3 | L249 E250 Q251 H256 R257 | L249-E253 WeakPolarHBondContact O-CG 3.29Å; L249-E253 PolarHBondContact O-N 2.97Å; E250-E253 PolarHBondContact O-N 3.42Å; Q251-E253 VanDerWaalsContact C-N 3.34Å; E253-H256 WeakPolarHBondContact O-CB 3.24Å; E253-H256 PolarHBondContact O-N 3.39Å; E253-R257 VanDerWaalsContact CB-NH1 3.28Å; E253-R257 VanDerWaalsContact O-CG 3.32Å; E253-R257 WeakPolarHBondContact O-CG 3.29Å; E253-R257 PolarHBondContact O-N 3.13Å; E253-R257 IonicContact OE2-CZ 3.5Å; E253-R257 IonicContact OE2-NH1 2.66Å; E253-R257 PolarHBondContact OE2-NH1 3.26Å; E253-R257 IonicContact OE2-NH2 3.58Å; E253-R257 PolarHBondContact OE2-NH2 2.91Å |
| 254 | Q | 88.6 | Confident | 87.8 | Confident | 101 Ų | 101 | 105.3 Ų | 105.3 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -51.1 | 172.4 | -75.2 | 165.6 | -11.3 | 0 | 0 | 110.5 | E250 Q251 H256 R257 E258 | E250-Q254 WeakPolarHBondContact O-CB 3.26Å; E250-Q254 VanDerWaalsContact O-CG 3.27Å; E250-Q254 WeakPolarHBondContact O-CG 3.32Å; E250-Q254 PolarHBondContact O-N 2.84Å; Q251-Q254 PolarHBondContact O-N 3.15Å; Q254-H256 VanDerWaalsContact C-N 3.27Å; Q254-H256 PolarHBondContact O-N 2.82Å; Q254-R257 WeakPolarHBondContact O-CB 3.38Å; Q254-R257 PolarHBondContact O-N 2.89Å; Q254-R257 VanDerWaalsContact O-N 3.13Å; Q254-E258 WeakPolarHBondContact O-CG 3.47Å; Q254-E258 PolarHBondContact O-N 3.31Å |
| 255 | L | 90.2 | Very high | 86.7 | Confident | 93 Ų | 93 | 106.8 Ų | 106.8 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.1 | -35.1 | 174.1 | -72.6 | 167.8 | 0 | 0 | 0 | 112.2 | Q251 H259 | Q251-L255 WeakPolarHBondContact O-CB 3.48Å; Q251-L255 VanDerWaalsContact O-CG 3.29Å; Q251-L255 WeakPolarHBondContact O-CG 3.46Å; Q251-L255 PolarHBondContact O-N 2.83Å; L255-H259 VanDerWaalsContact O-CB 3.3Å; L255-H259 WeakPolarHBondContact O-CB 3.32Å; L255-H259 PolarHBondContact O-N 2.82Å; L255-H259 PolarHBondContact O-ND1 3.4Å |
| 256 | H | 89.1 | Confident | 85.2 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 38% | 0.384 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 173 | -106.5 | -87.2 | 0 | 0 | 0 | 112 | R252 E253 Q254 H259 E260 | R252-H256 WeakPolarHBondContact O-CB 3.39Å; R252-H256 PolarHBondContact O-CD2 3.07Å; R252-H256 PolarHBondContact O-N 2.82Å; E253-H256 WeakPolarHBondContact O-CB 3.24Å; E253-H256 PolarHBondContact O-N 3.39Å; Q254-H256 VanDerWaalsContact C-N 3.27Å; Q254-H256 PolarHBondContact O-N 2.82Å; H256-H259 CarbonylContact O-C 3.52Å; H256-H259 PolarHBondContact O-N 3.49Å; H256-E260 IonicContact ND1-OE1 2.69Å; H256-E260 PolarHBondContact ND1-OE1 2.9Å; H256-E260 WeakPolarHBondContact O-CG 3.06Å; H256-E260 PolarHBondContact O-N 2.78Å |
| 257 | R | 85.4 | Confident | 83.8 | Confident | 126 Ų | 126 | 102.9 Ų | 102.9 | 48% | 0.475 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 174.9 | -68.5 | 168.9 | -169.8 | 111.9 | 8.7 | 110.5 | E253 Q254 H259 E260 D261 | E253-R257 VanDerWaalsContact CB-NH1 3.28Å; E253-R257 VanDerWaalsContact O-CG 3.32Å; E253-R257 WeakPolarHBondContact O-CG 3.29Å; E253-R257 PolarHBondContact O-N 3.13Å; E253-R257 IonicContact OE2-CZ 3.5Å; E253-R257 IonicContact OE2-NH1 2.66Å; E253-R257 PolarHBondContact OE2-NH1 3.26Å; E253-R257 IonicContact OE2-NH2 3.58Å; E253-R257 PolarHBondContact OE2-NH2 2.91Å; Q254-R257 WeakPolarHBondContact O-CB 3.38Å; Q254-R257 PolarHBondContact O-N 2.89Å; Q254-R257 VanDerWaalsContact O-N 3.13Å; R257-H259 VanDerWaalsContact C-N 3.29Å; R257-H259 PolarHBondContact O-N 3.43Å; R257-E260 CarbonylContact O-C 3.5Å; R257-E260 WeakPolarHBondContact O-CA 3.4Å; R257-E260 WeakPolarHBondContact O-CB 3.45Å; R257-E260 PolarHBondContact O-N 2.73Å; R257-D261 WeakPolarHBondContact O-CB 3.07Å; R257-D261 VanDerWaalsContact O-CG 3.31Å; R257-D261 PolarHBondContact O-N 2.93Å |
| 258 | E | 85.3 | Confident | 82.2 | Confident | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -35.4 | 175 | -70 | 170 | -169.5 | 0 | 0 | 112.8 | Q254 E260 T262 | Q254-E258 WeakPolarHBondContact O-CG 3.47Å; Q254-E258 PolarHBondContact O-N 3.31Å; E258-E260 VanDerWaalsContact C-N 3.3Å; E258-T262 VanDerWaalsContact O-CB 3.3Å; E258-T262 WeakPolarHBondContact O-CB 3.34Å; E258-T262 VanDerWaalsContact O-CG2 3.26Å; E258-T262 WeakPolarHBondContact O-CG2 3.3Å; E258-T262 PolarHBondContact O-N 3.28Å; E258-T262 PolarHBondContact O-OG1 3.25Å |
| 259 | H | 84.3 | Confident | 80.2 | Confident | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.4 | -18.1 | 173.2 | -80.5 | 71.7 | 0 | 0 | 0 | 113.2 | L255 H256 R257 T262 R263 | L255-H259 VanDerWaalsContact O-CB 3.3Å; L255-H259 WeakPolarHBondContact O-CB 3.32Å; L255-H259 PolarHBondContact O-N 2.82Å; L255-H259 PolarHBondContact O-ND1 3.4Å; H256-H259 CarbonylContact O-C 3.52Å; H256-H259 PolarHBondContact O-N 3.49Å; R257-H259 VanDerWaalsContact C-N 3.29Å; R257-H259 PolarHBondContact O-N 3.43Å; H259-T262 WeakPolarHBondContact CA-OG1 3.24Å; H259-R263 WeakPolarHBondContact O-CD 3.44Å; H259-R263 WeakPolarHBondContact O-CG 3.47Å; H259-R263 PolarHBondContact O-NE 2.85Å; H259-R263 PolarHBondContact O-NH1 3.35Å |
| 260 | E | 84 | Confident | 78.3 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -87.8 | -47 | 173.2 | -75.6 | 152.1 | -153.7 | 0 | 0 | 109.7 | H256 R257 E258 T262 R263 D264 | H256-E260 IonicContact ND1-OE1 2.69Å; H256-E260 PolarHBondContact ND1-OE1 2.9Å; H256-E260 WeakPolarHBondContact O-CG 3.06Å; H256-E260 PolarHBondContact O-N 2.78Å; R257-E260 CarbonylContact O-C 3.5Å; R257-E260 WeakPolarHBondContact O-CA 3.4Å; R257-E260 WeakPolarHBondContact O-CB 3.45Å; R257-E260 PolarHBondContact O-N 2.73Å; E258-E260 VanDerWaalsContact C-N 3.3Å; E260-T262 PolarHBondContact O-N 2.85Å; E260-R263 WeakPolarHBondContact O-CB 3.39Å; E260-R263 PolarHBondContact O-N 3.12Å; E260-R263 VanDerWaalsContact O-N 3.12Å; E260-D264 WeakPolarHBondContact O-CB 3.38Å; E260-D264 PolarHBondContact O-N 3.38Å |
| 261 | D | 78 | Confident | 76.4 | Confident | 98 Ų | 98 | 108.1 Ų | 108.1 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.1 | -42.6 | 171.1 | -66.8 | -40.7 | 0 | 0 | 0 | 112.3 | R257 D264 L265 | R257-D261 WeakPolarHBondContact O-CB 3.07Å; R257-D261 VanDerWaalsContact O-CG 3.31Å; R257-D261 PolarHBondContact O-N 2.93Å; D261-D264 PolarHBondContact O-N 3.38Å; D261-L265 VanDerWaalsContact O-CB 3.24Å; D261-L265 WeakPolarHBondContact O-CB 3.3Å; D261-L265 WeakPolarHBondContact O-CG 3.26Å; D261-L265 PolarHBondContact O-N 3.28Å |
| 262 | T | 77.8 | Confident | 74.2 | Confident | 80 Ų | 80 | 109.1 Ų | 109.1 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.9 | -31.4 | 176.2 | 50 | 0 | 0 | 0 | 0 | 113.2 | E258 H259 E260 A266 | E258-T262 VanDerWaalsContact O-CB 3.3Å; E258-T262 WeakPolarHBondContact O-CB 3.34Å; E258-T262 VanDerWaalsContact O-CG2 3.26Å; E258-T262 WeakPolarHBondContact O-CG2 3.3Å; E258-T262 PolarHBondContact O-N 3.28Å; E258-T262 PolarHBondContact O-OG1 3.25Å; H259-T262 WeakPolarHBondContact CA-OG1 3.24Å; E260-T262 PolarHBondContact O-N 2.85Å; T262-A266 WeakPolarHBondContact O-CB 3.39Å; T262-A266 PolarHBondContact O-N 2.91Å |
| 263 | R | 75 | Confident | 71.8 | Confident | 128 Ų | 128 | 112.5 Ų | 112.5 | 48% | 0.483 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 170.1 | -76.1 | 166.2 | -167.8 | 139.5 | 0.6 | 110.9 | H259 E260 A266 R267 | H259-R263 WeakPolarHBondContact O-CD 3.44Å; H259-R263 WeakPolarHBondContact O-CG 3.47Å; H259-R263 PolarHBondContact O-NE 2.85Å; H259-R263 PolarHBondContact O-NH1 3.35Å; E260-R263 WeakPolarHBondContact O-CB 3.39Å; E260-R263 PolarHBondContact O-N 3.12Å; E260-R263 VanDerWaalsContact O-N 3.12Å; R263-A266 WeakPolarHBondContact O-CB 3.46Å; R263-A266 PolarHBondContact O-N 3.18Å; R263-R267 WeakPolarHBondContact O-CG 3.39Å; R263-R267 PolarHBondContact O-N 2.88Å |
| 264 | D | 71.9 | Confident | 69.5 | Low | 77 Ų | 77 | 120 Ų | 120 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -79.6 | -33.1 | -176.7 | -69.5 | -2.9 | 0 | 0 | 0 | 111.4 | E260 D261 A266 R267 V268 | E260-D264 WeakPolarHBondContact O-CB 3.38Å; E260-D264 PolarHBondContact O-N 3.38Å; D261-D264 PolarHBondContact O-N 3.38Å; D264-A266 VanDerWaalsContact C-N 3.32Å; D264-A266 PolarHBondContact O-N 2.87Å; D264-R267 WeakPolarHBondContact O-CB 3.39Å; D264-R267 PolarHBondContact O-N 2.66Å; D264-R267 IonicContact OD1-CZ 3.92Å; D264-R267 VanDerWaalsContact OD1-CZ 3.25Å; D264-R267 IonicContact OD1-NE 3.78Å; D264-R267 PolarHBondContact OD1-NE 2.93Å; D264-R267 IonicContact OD1-NH2 3Å; D264-R267 PolarHBondContact OD1-NH2 3.23Å; D264-V268 WeakPolarHBondContact O-CG2 3.33Å; D264-V268 PolarHBondContact O-N 3.19Å |
| 265 | L | 70.4 | Confident | 67.1 | Low | 93 Ų | 93 | 118.4 Ų | 118.4 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.4 | -41.1 | 161.5 | -82.2 | 165 | 0 | 0 | 0 | 111.6 | D261 R267 V268 H269 | D261-L265 VanDerWaalsContact O-CB 3.24Å; D261-L265 WeakPolarHBondContact O-CB 3.3Å; D261-L265 WeakPolarHBondContact O-CG 3.26Å; D261-L265 PolarHBondContact O-N 3.28Å; L265-R267 VanDerWaalsContact C-N 3.33Å; L265-R267 PolarHBondContact O-N 2.69Å; L265-V268 PolarHBondContact O-N 3.48Å; L265-H269 WeakPolarHBondContact O-CB 3.41Å; L265-H269 PolarHBondContact O-CD2 2.97Å; L265-H269 PolarHBondContact O-N 2.74Å |
| 266 | A | 62.5 | Low | 64.9 | Low | 64 Ų | 64 | 120.7 Ų | 120.7 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.4 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T262 R263 D264 G270 | T262-A266 WeakPolarHBondContact O-CB 3.39Å; T262-A266 PolarHBondContact O-N 2.91Å; R263-A266 WeakPolarHBondContact O-CB 3.46Å; R263-A266 PolarHBondContact O-N 3.18Å; D264-A266 VanDerWaalsContact C-N 3.32Å; D264-A266 PolarHBondContact O-N 2.87Å; A266-G270 PolarHBondContact O-N 3.16Å |
| 267 | R | 65.1 | Low | 62.8 | Low | 167 Ų | 167 | 120.9 Ų | 120.9 | 63% | 0.63 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.5 | -45.3 | 170.4 | -63 | -179 | -138.8 | -103 | 6.4 | 111.8 | R263 D264 L265 G270 W271 | R263-R267 WeakPolarHBondContact O-CG 3.39Å; R263-R267 PolarHBondContact O-N 2.88Å; D264-R267 WeakPolarHBondContact O-CB 3.39Å; D264-R267 PolarHBondContact O-N 2.66Å; D264-R267 IonicContact OD1-CZ 3.92Å; D264-R267 VanDerWaalsContact OD1-CZ 3.25Å; D264-R267 IonicContact OD1-NE 3.78Å; D264-R267 PolarHBondContact OD1-NE 2.93Å; D264-R267 IonicContact OD1-NH2 3Å; D264-R267 PolarHBondContact OD1-NH2 3.23Å; L265-R267 VanDerWaalsContact C-N 3.33Å; L265-R267 PolarHBondContact O-N 2.69Å; R267-G270 PolarHBondContact O-N 2.78Å; R267-W271 PolarHBondContact O-N 2.94Å |
| 268 | V | 59.5 | Low | 60.4 | Low | 81 Ų | 81 | 118.1 Ų | 118.1 | 49% | 0.491 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.4 | -42.2 | -179.3 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | D264 L265 G270 W271 L272 | D264-V268 WeakPolarHBondContact O-CG2 3.33Å; D264-V268 PolarHBondContact O-N 3.19Å; L265-V268 PolarHBondContact O-N 3.48Å; V268-G270 VanDerWaalsContact C-N 3.27Å; V268-G270 PolarHBondContact O-N 3.23Å; V268-W271 WeakPolarHBondContact O-CB 3.43Å; V268-W271 PolarHBondContact O-N 3.42Å; V268-L272 HydrophobicContact CG1-CD1 4.19Å; V268-L272 PolarHBondContact O-N 3Å |
| 269 | H | 52.7 | Low | 58.6 | Low | 127 Ų | 127 | 119.3 Ų | 119.3 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.5 | -32.1 | 173.7 | -78.8 | -63.1 | 0 | 0 | 0 | 112.3 | L265 W271 L272 | L265-H269 WeakPolarHBondContact O-CB 3.41Å; L265-H269 PolarHBondContact O-CD2 2.97Å; L265-H269 PolarHBondContact O-N 2.74Å; H269-W271 PolarHBondContact O-N 3.24Å; H269-L272 PolarHBondContact O-N 3.22Å |
| 270 | G | 54.9 | Low | 56.9 | Low | 64 Ų | 64 | 120.1 Ų | 120.1 | 66% | 0.66 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -20.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A266 R267 V268 | A266-G270 PolarHBondContact O-N 3.16Å; R267-G270 PolarHBondContact O-N 2.78Å; V268-G270 VanDerWaalsContact C-N 3.27Å; V268-G270 PolarHBondContact O-N 3.23Å |
| 271 | W | 52.9 | Low | 55.1 | Low | 237 Ų | 237 | 123.3 Ų | 123.3 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -20.2 | 176.6 | -100.5 | 61.1 | 0 | 0 | 0 | 114.5 | R267 V268 H269 | R267-W271 PolarHBondContact O-N 2.94Å; V268-W271 WeakPolarHBondContact O-CB 3.43Å; V268-W271 PolarHBondContact O-N 3.42Å; H269-W271 PolarHBondContact O-N 3.24Å |
| 272 | L | 45.6 | Very low | 53 | Low | 122 Ų | 122 | 130.2 Ų | 130.2 | 64% | 0.639 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -106.9 | 7.9 | -168.3 | -80.6 | 166.2 | 0 | 0 | 0 | 115.7 | V268 H269 | V268-L272 HydrophobicContact CG1-CD1 4.19Å; V268-L272 PolarHBondContact O-N 3Å; H269-L272 PolarHBondContact O-N 3.22Å |
| 273 | R | 42.8 | Very low | 50.9 | Low | 228 Ų | 228 | 134 Ų | 134 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | trans | -139.3 | 78.7 | 173.4 | -77.3 | -64.7 | -154 | -104.6 | 1.1 | 113.3 | ||||
| 274 | R | 44.2 | Very low | 50.3 | Low | 257 Ų | 257 | 132.2 Ų | 132.2 | 97% | 0.97 | 72% | 0.717 | S | S | * | * | trans | -121.7 | 116.1 | 145.7 | -81.1 | -164.7 | 179.2 | -155.3 | 2.2 | 109.4 | ||||
| 275 | G | 36.8 | Very low | 49 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -173.1 | 139.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 276 | P | 45.3 | Very low | 47.1 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -85.6 | 152.7 | -162.1 | 33 | -36.3 | 0 | 0 | 0 | 114.3 | ||
| 277 | G | 44.7 | Very low | 46.4 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | trans | 101.7 | 11.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 278 | G | 33.8 | Very low | 44.9 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 140.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 279 | P | 49.1 | Very low | 44.1 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 166.8 | -177.8 | -21.2 | 34.9 | 0 | 0 | 0 | 115.2 | ||
| 280 | P | 48.8 | Very low | 43.9 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 156.2 | -154.9 | 34.7 | -37.5 | 0 | 0 | 0 | 116.1 | ||
| 281 | L | 44.6 | Very low | 42.7 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | 12.3 | 121.3 | 139.9 | -63.1 | 158.6 | 0 | 0 | 0 | 117.2 | ||||
| 282 | W | 35.3 | Very low | 41.8 | Very low | 243 Ų | 243 | 135.2 Ų | 135.2 | 92% | 0.92 | 78% | 0.783 | S | S | * | * | trans | -136.9 | 158.3 | 130.2 | -159.2 | -105.9 | 0 | 0 | 0 | 112.5 | ||||
| 283 | E | 33.7 | Very low | 41.5 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -106.1 | -162.9 | -165.5 | -123 | -172.3 | -161.7 | 0 | 0 | 110.6 | ||||
| 284 | P | 61.5 | Low | 42 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 59% | 0.591 | 79% | 0.79 | S | S | * | * | trans | -92.8 | -161.5 | -153 | 43 | -39.2 | 0 | 0 | 0 | 112.3 | ||||
| 285 | P | 44.2 | Very low | 41.3 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -107.8 | 126.1 | 133.8 | 32.7 | -29.4 | 0 | 0 | 0 | 110.9 | ||||
| 286 | A | 30.5 | Very low | 41.3 | Very low | 81 Ų | 81 | 129 Ų | 129 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -81.3 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 287 | S | 48 | Very low | 40.9 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -44 | 132.8 | 173.4 | 53.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 288 | S | 33.3 | Very low | 40.3 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -137.5 | 86.3 | 161.4 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 289 | Q | 44.5 | Very low | 40.3 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 159.5 | 131.4 | -75.3 | -171.7 | -2.5 | 0 | 0 | 107.5 | ||||
| 290 | P | 47.1 | Very low | 40.7 | Very low | 102 Ų | 102 | 131 Ų | 131 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | cis | -161.3 | -171.4 | 46.4 | 42.6 | -18.2 | 0 | 0 | 0 | 119 | ||||
| 291 | I | 30.5 | Very low | 40.1 | Very low | 150 Ų | 150 | 134 Ų | 134 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 64.5 | 114.8 | 138.2 | -78.5 | 159.8 | 0 | 0 | 0 | 120.7 | ||||
| 292 | S | 34.5 | Very low | 39.7 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | trans | -6.9 | 159.4 | 141.5 | 69.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 293 | R | 37.9 | Very low | 40 | Very low | 228 Ų | 228 | 124.3 Ų | 124.3 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | cis | -177.1 | -150.6 | 48.4 | -145.7 | 170.3 | -170.7 | -173.4 | 4.3 | 110.3 | ||||
| 294 | P | 53.4 | Low | 40 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -99 | 172.3 | -100.2 | 30.8 | -10.6 | 0 | 0 | 0 | 116.8 | |||||
| 295 | G | 30.7 | Very low | 39.6 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -148.1 | 137.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 296 | S | 34.9 | Very low | 39 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -138.6 | 145.7 | -172.1 | 177.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 297 | L | 38.3 | Very low | 39 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -172.2 | 149.8 | 139.5 | -105.3 | 166.5 | 0 | 0 | 0 | 113.9 | ||||
| 298 | A | 31.3 | Very low | 38.4 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | 63.6 | 89.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 299 | A | 33.7 | Very low | 38.3 | Very low | 101 Ų | 101 | 125 Ų | 125 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | 73 | 157.5 | 120.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 300 | P | 57 | Low | 38 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -120 | 154.3 | -170.5 | 41 | -28.3 | 0 | 0 | 0 | 116.2 | ||||
| 301 | I | 37.6 | Very low | 38 | Very low | 178 Ų | 178 | 123.7 Ų | 123.7 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | -135.8 | 143.1 | 148.6 | -82.1 | 104 | 0 | 0 | 0 | 107.7 | ||||
| 302 | G | 34.8 | Very low | 38.2 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -89.7 | 173.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 303 | P | 42.3 | Very low | 38.2 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -101.9 | 153.1 | -173.2 | 38.2 | -34.4 | 0 | 0 | 0 | 115.4 | ||||
| 304 | S | 34.9 | Very low | 37.9 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -164.4 | 159.3 | 158.2 | -80.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 305 | P | 53 | Low | 36.8 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | cis | -134.9 | -163.3 | 15.5 | 41.7 | -23.3 | 0 | 0 | 0 | 114.7 | ||||
| 306 | A | 31.5 | Very low | 36.9 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | 81.6 | 94.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 307 | A | 30 | Very low | 36.6 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | 93.3 | 140 | 111.6 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 308 | S | 35.8 | Very low | 36.3 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | 102.5 | 117 | 147.7 | -54.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 309 | Q | 31.7 | Very low | 36.2 | Very low | 186 Ų | 186 | 124.5 Ų | 124.5 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | 82.4 | 138.6 | 141.5 | -66.1 | 170.7 | 45.4 | 0 | 0 | 120.6 | ||||
| 310 | T | 37.4 | Very low | 36.3 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -89.7 | 168.3 | 176.1 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 311 | P | 47 | Very low | 35 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -141.9 | -172.8 | 95.2 | 34.9 | -17.5 | 0 | 0 | 0 | 114.8 | |||||
| 312 | S | 35.1 | Very low | 34.9 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -87.7 | 160.8 | -168.1 | 51.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 313 | V | 33.7 | Very low | 35.3 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | 178.4 | 108.2 | 141.5 | 149.8 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 314 | V | 32.7 | Very low | 34.8 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | 57.5 | 83.2 | 58.2 | -169.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 315 | S | 29.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -141 | 152 | 149.7 | -165.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 316 | S | 32.8 | Very low | 34.5 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -100 | 147.9 | -160.9 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 317 | R | 28.9 | Very low | 35.7 | Very low | 247 Ų | 247 | 131.7 Ų | 131.7 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -146.6 | 123.4 | 147.5 | -162.3 | 166.8 | -173.5 | 158.9 | 2.4 | 110.4 | ||||
| 318 | A | 32.3 | Very low | 35.7 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -86.1 | 142.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 319 | A | 28.8 | Very low | 35.5 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -149.6 | 110.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 320 | S | 35.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -102.6 | 119.7 | -173.4 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 321 | R | 29.7 | Very low | 35.3 | Very low | 250 Ų | 250 | 137.3 Ų | 137.3 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -159.5 | 145 | 150.7 | -133.1 | 166.4 | 177.1 | 157 | -1.8 | 111.5 | ||||
| 322 | A | 35.8 | Very low | 34.4 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 177.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 323 | P | 42.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | -146 | 166 | 91.3 | 40.7 | -26.4 | 0 | 0 | 0 | 117.5 | |||||
| 324 | S | 31.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | 51.2 | 117 | 145.7 | 60.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 325 | V | 45 | Very low | 34.4 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | -84.5 | 139.7 | 150.9 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 326 | V | 37.1 | Very low | 34.7 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -170.5 | 145.3 | 141.7 | 135.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 327 | P | 56 | Low | 34.7 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | trans | -116.2 | 157.1 | -171 | 41 | -32 | 0 | 0 | 0 | 116.4 | ||||
| 328 | L | 31.1 | Very low | 34.9 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -154.9 | 127.6 | 163.2 | -152.4 | 69.8 | 0 | 0 | 0 | 106.7 | ||||
| 329 | R | 32 | Very low | 34.9 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | cis | 101 | 94.3 | 26.1 | -171.2 | -155.3 | -171 | -90.3 | 2.6 | 113.3 | ||||
| 330 | E | 33.9 | Very low | 35.1 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -165 | 126.8 | 140.1 | -105.2 | 157.5 | -152.9 | 0 | 0 | 107.9 | ||||
| 331 | A | 29.4 | Very low | 35.1 | Very low | 95 Ų | 95 | 146 Ų | 146 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | 63.2 | 125.8 | 89.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 332 | S | 29.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | cis | -151.3 | -156.2 | 7.4 | -162.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 333 | R | 31.8 | Very low | 35 | Very low | 230 Ų | 230 | 145.5 Ų | 145.5 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | cis | -164.6 | 95.8 | 10.6 | -171.3 | -168.1 | -167.9 | -160.4 | 5.8 | 111.8 | ||||
| 334 | V | 31.1 | Very low | 34.6 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | -147.5 | 161.8 | 171.1 | -98.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 335 | P | 36.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -88.7 | 159.5 | -147.7 | -7.5 | 25.9 | 0 | 0 | 0 | 116.3 | ||||
| 336 | S | 35.4 | Very low | 34.3 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -80.7 | 132 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 337 | M | 34.3 | Very low | 34.2 | Very low | 197 Ų | 197 | 150.9 Ų | 150.9 | 97% | 0.97 | 82% | 0.821 | S | S | * | * | trans | -127.7 | 126.8 | 143 | -77.9 | -164.4 | 170.4 | 0 | 0 | 108.9 | ||||
| 338 | V | 31.7 | Very low | 33.2 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 82% | 0.821 | S | S | * | * | trans | -90.6 | 124.3 | -177 | 175.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 339 | L | 33 | Very low | 33.4 | Very low | 169 Ų | 169 | 151 Ų | 151 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -101.9 | 95.4 | 171.8 | -152.4 | 79.9 | 0 | 0 | 0 | 109.1 | I341 | L339-I341 PolarHBondContact O-N 3.47Š| ||
| 340 | S | 33.3 | Very low | 33.3 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -75.9 | 111.1 | 176.8 | 37.4 | 0 | 0 | 0 | 0 | 110.9 | M342 | S340-M342 PolarHBondContact O-N 3.4Š| ||
| 341 | I | 35.3 | Very low | 33.8 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -69.2 | 125.8 | 167.6 | -63.2 | 166.8 | 0 | 0 | 0 | 107.7 | L339 | L339-I341 PolarHBondContact O-N 3.47Š| ||
| 342 | M | 32.8 | Very low | 33.8 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | -118.9 | 82 | -178.2 | -168.5 | 174 | 73.6 | 0 | 0 | 110 | S340 | S340-M342 PolarHBondContact O-N 3.4Š| ||
| 343 | D | 29.5 | Very low | 34.3 | Very low | 146 Ų | 146 | 150.2 Ų | 150.2 | 78% | 0.781 | 84% | 0.836 | S | S | * | * | trans | -77.4 | 150.8 | 173.6 | -100.7 | -52.9 | 0 | 0 | 0 | 112.3 | ||||
| 344 | S | 35.4 | Very low | 34.3 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | trans | -89 | 134.6 | -174.3 | 62.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 345 | R | 30.6 | Very low | 34.2 | Very low | 247 Ų | 247 | 149.8 Ų | 149.8 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | trans | -158.2 | 138.1 | 155.1 | -112.3 | 168 | -164.4 | -148 | 1.3 | 111.6 | ||||
| 346 | V | 39.3 | Very low | 34 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | trans | -94.3 | 142.3 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 347 | P | 36.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | trans | -121.3 | 154 | 141.1 | 11.4 | 9 | 0 | 0 | 0 | 111.8 | ||||
| 348 | S | 33.8 | Very low | 33.7 | Very low | 103 Ų | 103 | 153.7 Ų | 153.7 | 72% | 0.72 | 83% | 0.833 | S | S | * | * | trans | -97.6 | 160.3 | -175.1 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 349 | L | 35.7 | Very low | 34 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | 37.7 | 108.9 | 158.4 | -86.9 | 71.8 | 0 | 0 | 0 | 118.9 | ||||
| 350 | A | 30.5 | Very low | 33.8 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -144.5 | 138 | 140 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 351 | T | 42.9 | Very low | 33.7 | Very low | 143 Ų | 143 | 153 Ų | 153 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -96.2 | 127.9 | -177.1 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 352 | S | 31.2 | Very low | 33.4 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | -135.2 | 127.4 | 159.2 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 353 | K | 38.7 | Very low | 33.3 | Very low | 210 Ų | 210 | 148.7 Ų | 148.7 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -94.9 | 106.5 | -179.6 | -72.6 | 171.7 | 178 | 167.9 | 0 | 109.5 | ||||
| 354 | V | 32.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 84% | 0.842 | 84% | 0.835 | S | S | * | * | trans | -116.3 | 106.8 | 162.1 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 355 | R | 29.7 | Very low | 33.2 | Very low | 230 Ų | 230 | 153.6 Ų | 153.6 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | -106.6 | 88.5 | -172.6 | -174 | -178 | -174.3 | -179.5 | 3 | 109.6 | R357 | R355-R357 PolarHBondContact O-N 3.32Š| ||
| 356 | S | 31.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | -59.4 | 133.7 | 167.5 | 42.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 357 | R | 31.3 | Very low | 32.6 | Very low | 234 Ų | 234 | 143.8 Ų | 143.8 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -95 | 135.1 | -179.7 | -71 | 178.5 | 171.2 | -174.7 | -3.1 | 110 | R355 | R355-R357 PolarHBondContact O-N 3.32Š| ||
| 358 | I | 33.4 | Very low | 32.4 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 84% | 0.841 | 84% | 0.841 | S | S | * | * | trans | -113.8 | 126.8 | 151.8 | -59.6 | 176.4 | 0 | 0 | 0 | 105.7 | S360 | I358-S360 PolarHBondContact O-N 3.03Š| ||
| 359 | P | 36.7 | Very low | 32.2 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 72% | 0.721 | 85% | 0.849 | S | S | * | * | trans | -85.1 | 106.9 | -174.2 | 31.8 | -32.9 | 0 | 0 | 0 | 112.2 | ||||
| 360 | S | 29.8 | Very low | 32 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -82.3 | 114.1 | 164.1 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | I358 | I358-S360 PolarHBondContact O-N 3.03Š| ||
| 361 | L | 30.2 | Very low | 32 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -91.8 | 104.3 | 179.8 | -73.1 | 172.2 | 0 | 0 | 0 | 112.2 | ||||
| 362 | T | 30.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 147 Ų | 147 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | trans | -160.3 | 97.6 | 163.2 | 11.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 363 | A | 30.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -166.5 | 105.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 364 | S | 30.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 5.9 | 117.2 | 142.6 | -51.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 365 | R | 30.9 | Very low | 30.7 | Very low | 240 Ų | 240 | 145.7 Ų | 145.7 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | 58.9 | 125.6 | 112.5 | -174.3 | 176.4 | 177.8 | 176.6 | -0.3 | 120.9 | |||||
| 366 | A | 30.2 | Very low | 30.8 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 77.3 | 131 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 367 | G | 29 | Very low | 30.9 | Very low | 78 Ų | 78 | 141.9 Ų | 141.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 171.9 | 26.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | R369 | G367-R369 PolarHBondContact O-N 3.46Š| ||
| 368 | S | 31.9 | Very low | 30.9 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -77.4 | 104.9 | -171.2 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 369 | R | 29.6 | Very low | 30.7 | Very low | 235 Ų | 235 | 135.2 Ų | 135.2 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -152.5 | 105.9 | 163.2 | -164.7 | 161.6 | -179.1 | 156 | 0.1 | 116.6 | G367 | G367-R369 PolarHBondContact O-N 3.46Š| ||
| 370 | A | 30 | Very low | 30.4 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | trans | 75.1 | 158.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 371 | L | 30.8 | Very low | 30.4 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | 74.6 | 130 | 174.8 | -49 | -177.1 | 0 | 0 | 0 | 115.9 | ||||
| 372 | S | 28.4 | Very low | 30.7 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | cis | -169.8 | 165.4 | -7.9 | 45.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 373 | L | 28.9 | Very low | 30.7 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 99 | 119.6 | 140.7 | -148.7 | 76.5 | 0 | 0 | 0 | 120 | ||||
| 374 | A | 30 | Very low | 31 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | 63.3 | 159.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 375 | Q | 31.1 | Very low | 31.1 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | cis | -162.3 | 120.6 | -28.2 | -108.3 | 174.4 | -6.5 | 0 | 0 | 108.8 | ||||
| 376 | S | 31.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -173.4 | 126.5 | 152.7 | -156 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 377 | L | 34.3 | Very low | 31.2 | Very low | 156 Ų | 156 | 131 Ų | 131 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | cis | 66.6 | 138 | 39.8 | -99.9 | 172.7 | 0 | 0 | 0 | 114.5 | ||||
| 378 | E | 31.8 | Very low | 31.4 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 63.8 | 137.2 | -167.1 | -52.9 | -167.7 | 117.8 | 0 | 0 | 115.6 | ||||
| 379 | G | 29.1 | Very low | 31.4 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 171.1 | 158.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 380 | S | 29.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 68.4 | 148.4 | -178.8 | -62.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 381 | R | 30.1 | Very low | 31.6 | Very low | 214 Ų | 214 | 133.9 Ų | 133.9 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | cis | -160.9 | 159.8 | -8.8 | -113.7 | 165.8 | -137.2 | -143.4 | 1.7 | 110 | ||||
| 382 | I | 36.5 | Very low | 31.7 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | 48.9 | 125.9 | 161.2 | 66.8 | -177 | 0 | 0 | 0 | 119.3 | ||||
| 383 | S | 31.3 | Very low | 32 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | 98.3 | 99.4 | 21.7 | -173.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 384 | S | 36.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 176.8 | 136 | 144.8 | -74.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 385 | G | 31.5 | Very low | 32.3 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | cis | 91 | 123.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 386 | S | 31.1 | Very low | 32.4 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | -128.5 | 169 | 3.4 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 387 | S | 33.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | 84.5 | 140.1 | 28.3 | -162.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 388 | L | 32.9 | Very low | 32.5 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 96.9 | 117.4 | -176.4 | -58.3 | 173.5 | 0 | 0 | 0 | 115.1 | ||||
| 389 | R | 31.6 | Very low | 32.5 | Very low | 224 Ų | 224 | 133.5 Ų | 133.5 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | 84.6 | 143.3 | 64.9 | -83.7 | -161.2 | -163.1 | -151.2 | 6.8 | 112.9 | |||||
| 390 | V | 30.2 | Very low | 32.8 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -168 | 154.2 | -12.4 | 107.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 391 | S | 33.2 | Very low | 33.1 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 55.7 | 132.8 | 164.2 | -155.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 392 | S | 32.1 | Very low | 33.1 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | -169.7 | 157.9 | 59.8 | -76.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 393 | Q | 35.8 | Very low | 33.8 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 7.7 | 145.6 | 136.2 | -66.9 | 172.7 | -34.2 | 0 | 0 | 118.9 | ||||
| 394 | D | 31.6 | Very low | 34 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -164 | 165.5 | 21.7 | -139.2 | 28.6 | 0 | 0 | 0 | 117.2 | ||||
| 395 | T | 33.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 61% | 0.613 | 77% | 0.772 | S | S | * | * | trans | 58.3 | 106.2 | 139.9 | -69.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 396 | L | 32.6 | Very low | 35.1 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 58.2 | 120.8 | 141.4 | -60.8 | 175.3 | 0 | 0 | 0 | 122.3 | ||||
| 397 | R | 35.3 | Very low | 35.2 | Very low | 260 Ų | 260 | 138.2 Ų | 138.2 | 98% | 0.981 | 77% | 0.768 | S | S | * | * | -146.9 | 138.7 | 128.4 | -114.1 | 177 | -171.6 | -167 | 2.1 | 111.5 | |||||
| 398 | S | 31.8 | Very low | 35.1 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -128.9 | 143.1 | -172.8 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 399 | T | 32.7 | Very low | 35.3 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 63.5 | 152.3 | -177 | 73.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 400 | K | 36.3 | Very low | 35.4 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | cis | -159.6 | 152.9 | 42.2 | -174.6 | 170.6 | 179.5 | 175.6 | 0 | 112.6 | ||||
| 401 | S | 35.3 | Very low | 35.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -38.2 | 148.1 | -179.3 | 56.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 402 | G | 29.1 | Very low | 35.6 | Very low | 72 Ų | 72 | 137.2 Ų | 137.2 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -140.1 | 149.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 403 | P | 51.7 | Low | 35.6 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -133.4 | 172.2 | -161.6 | 43.9 | -28.5 | 0 | 0 | 0 | 118.5 | ||||
| 404 | K | 34.8 | Very low | 35.8 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 73.3 | 119.5 | 155.9 | -74.6 | 173.3 | 176.4 | -179.8 | 0 | 121.3 | ||||
| 405 | L | 39.1 | Very low | 36.8 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | 40.8 | 149.8 | 112 | -65.4 | 176.3 | 0 | 0 | 0 | 120.3 | |||||
| 406 | P | 52.4 | Low | 36.7 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -153.9 | 167.4 | 43.2 | 43.6 | -22.3 | 0 | 0 | 0 | 121.7 | ||||
| 407 | S | 34.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 29.4 | 128.7 | 138.3 | -51.9 | 0 | 0 | 0 | 0 | 127 | ||||
| 408 | A | 31.3 | Very low | 37.1 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | 91.3 | 154.8 | 123.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 409 | L | 36.3 | Very low | 37.9 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | 72.4 | 147.4 | 170 | -61.4 | 163.3 | 0 | 0 | 0 | 116.8 | ||||
| 410 | S | 35.1 | Very low | 39 | Very low | 87 Ų | 87 | 138 Ų | 138 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | cis | -174.6 | 159.4 | -14.3 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 411 | R | 34.3 | Very low | 38.8 | Very low | 218 Ų | 218 | 137.9 Ų | 137.9 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | trans | 68.7 | 159.9 | 160.5 | -65.6 | 176.8 | 104.2 | 136.7 | 9 | 117.4 | ||||
| 412 | D | 32.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 56% | 0.561 | 78% | 0.778 | S | S | * | * | cis | -155.5 | 155.5 | -10.1 | -118.7 | -29 | 0 | 0 | 0 | 111.5 | ||||
| 413 | R | 33.3 | Very low | 39.4 | Very low | 210 Ų | 210 | 141.1 Ų | 141.1 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | 49.2 | 115.5 | 152.7 | -71.5 | 175.9 | 163.2 | 163.6 | -6 | 124.2 | ||||
| 414 | D | 38.4 | Very low | 38.6 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | 38.6 | 159.4 | 98.8 | -45 | -33.2 | 0 | 0 | 0 | 121.8 | |||||
| 415 | P | 52.9 | Low | 38.7 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | cis | -134.9 | -171.4 | 7.7 | 43.3 | -25.8 | 0 | 0 | 0 | 116.1 | ||||
| 416 | A | 31.5 | Very low | 38.7 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -128.7 | 163.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 417 | L | 35.7 | Very low | 38 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -113.2 | 136.5 | -169 | -71.7 | 166.1 | 0 | 0 | 0 | 114.2 | ||||
| 418 | L | 40.8 | Very low | 38.3 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | -151.2 | 138.7 | 159.2 | -79.3 | -177.4 | 0 | 0 | 0 | 111.5 | ||||
| 419 | P | 49 | Very low | 38.6 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -125.1 | -176.9 | 166.7 | 42 | -30.7 | 0 | 0 | 0 | 112.3 | ||||
| 420 | P | 55.2 | Low | 38.6 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | -126.9 | -178.5 | -52.9 | 38.6 | -24.4 | 0 | 0 | 0 | 111.9 | |||||
| 421 | Q | 31.9 | Very low | 39 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -122.7 | -174.1 | 164.4 | -81.3 | -155 | -99.7 | 0 | 0 | 112.4 | ||||
| 422 | S | 37.7 | Very low | 39.3 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 57% | 0.573 | 78% | 0.784 | S | S | * | * | trans | -81.3 | -171 | -156.4 | 40.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 423 | E | 38.7 | Very low | 40.1 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | 85.9 | 136.4 | 161.1 | -73.5 | 146.8 | -114.4 | 0 | 0 | 117.6 | ||||
| 424 | D | 36.5 | Very low | 40.7 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | cis | -163.5 | 165.3 | -14.2 | -147.1 | -4.8 | 0 | 0 | 0 | 113.9 | ||||
| 425 | S | 36.3 | Very low | 40.8 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | trans | 64.8 | 162.2 | 155 | 78.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 426 | V | 39.3 | Very low | 41.1 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | cis | -152.6 | 179.1 | -8.2 | -119 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 427 | N | 37.3 | Very low | 42 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | cis | -156.6 | 165.4 | 5.7 | -146.1 | -16 | 0 | 0 | 0 | 111.5 | ||||
| 428 | A | 40.8 | Very low | 42.7 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | 58.1 | 164.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 429 | E | 37.5 | Very low | 43 | Very low | 198 Ų | 198 | 134 Ų | 134 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | cis | -138.7 | 175.9 | 6 | -160.9 | 161.6 | -167 | 0 | 0 | 111.5 | ||||
| 430 | A | 36.3 | Very low | 42.7 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 84% | 0.835 | S | S | * | * | trans | -101.9 | 150.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 431 | A | 44.5 | Very low | 42.1 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -165.4 | 124.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 432 | A | 39.7 | Very low | 42.7 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -146.4 | 110.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 433 | E | 49.1 | Very low | 43 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 95% | 0.949 | 85% | 0.851 | S | S | * | * | trans | -99.6 | 154.7 | 164.3 | -80.4 | -137 | 122.4 | 0 | 0 | 110.6 | ||||
| 434 | A | 46.9 | Very low | 43.2 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 79% | 0.793 | 86% | 0.856 | S | S | * | * | trans | -101.6 | 147.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 435 | S | 40.4 | Very low | 43.7 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 86% | 0.864 | S | S | * | * | -174.6 | 137.4 | 106.5 | -150.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 436 | P | 57.8 | Low | 44.2 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 88% | 0.878 | S | S | * | * | trans | -91.5 | 140.2 | 167.4 | 35.1 | -30.6 | 0 | 0 | 0 | 111.5 | ||||
| 437 | G | 50.2 | Low | 44.6 | Very low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 89% | 0.887 | S | S | * | * | trans | -157.3 | 122.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 438 | R | 50.2 | Low | 45.2 | Very low | 253 Ų | 253 | 136.3 Ų | 136.3 | 96% | 0.955 | 90% | 0.896 | S | S | * | * | trans | -131.9 | 115.2 | 178.7 | 179.3 | -170.9 | -179.9 | -162.3 | 1.6 | 109.6 | ||||
| 439 | A | 49 | Very low | 45.6 | Very low | 177 Ų | 177 | 141 Ų | 141 | 100% | 1.463 | 91% | 0.913 | S | S | * | * | trans | -144.7 | 0 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 439 of 439 residues in 1531.8 ms
(Link to these results)