| 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 | 41.1 | Very low | 41.9 | Very low | 250 Ų | 250 | 138.9 Ų | 138.9 | 100% | 1.232 | 84% | 0.837 | S | S | * | * | 0 | 103.7 | 0 | -53.2 | -66.4 | -99.7 | 0 | 0 | 107.2 | |||||
| 2 | G | 40.2 | Very low | 41.3 | Very low | 72 Ų | 72 | 146.8 Ų | 146.8 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | cis | 171 | 115.2 | 1.2 | 0 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 3 | S | 45.3 | Very low | 40.9 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 90% | 0.895 | 83% | 0.832 | S | S | * | * | trans | -60.5 | 161 | 168.1 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | P | 51.5 | Low | 40.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -129.3 | 147.1 | 132 | 18.6 | 0.6 | 0 | 0 | 0 | 114.7 | ||||
| 5 | A | 40.6 | Very low | 40.2 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | trans | -64.8 | 137.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | K | 45.4 | Very low | 39.8 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | 84 | 138.2 | 90.4 | -69.6 | -179.3 | 159 | -173.1 | 0 | 116.4 | |||||
| 7 | H | 36.4 | Very low | 39.5 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | 93.6 | 122.2 | 150.6 | -63.9 | -55.3 | 0 | 0 | 0 | 120 | ||||
| 8 | G | 36.1 | Very low | 39.4 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 172.3 | 62.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 9 | T | 44.9 | Very low | 39.3 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 135 | 167.5 | 39 | 0 | 0 | 0 | 0 | 111.3 | ||
| 10 | P | 43.2 | Very low | 39.2 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 134.1 | 159 | 10.6 | 7.8 | 0 | 0 | 0 | 111.2 | ||
| 11 | H | 36.2 | Very low | 39.3 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 133.4 | 175.4 | -93.8 | -64.5 | 0 | 0 | 0 | 112.9 | V13 | H11-V13 PolarHBondContact O-N 2.97Š|
| 12 | R | 34.3 | Very low | 39.4 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -57.8 | 109.5 | 163.5 | -174.5 | -177.4 | -170.8 | -177.9 | 2.5 | 110.2 | ||||
| 13 | V | 36.1 | Very low | 39.7 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -91.3 | 104.2 | 162.1 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | H11 I15 | H11-V13 PolarHBondContact O-N 2.97Å; V13-I15 HydrophobicContact CG1-CD1 4.4Å; V13-I15 HydrophobicContact CG1-CG1 3.89Å; V13-I15 PolarHBondContact O-N 3.21Å | ||
| 14 | S | 33.9 | Very low | 39.7 | Very low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | -73.7 | 109.1 | 166.6 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 15 | I | 38.5 | Very low | 40 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 118.2 | 163.3 | -57.9 | -177.5 | 0 | 0 | 0 | 106.2 | V13 | V13-I15 HydrophobicContact CG1-CD1 4.4Å; V13-I15 HydrophobicContact CG1-CG1 3.89Å; V13-I15 PolarHBondContact O-N 3.21Å |
| 16 | H | 33.2 | Very low | 40.7 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 135.2 | 176.4 | -75 | -23.4 | 0 | 0 | 0 | 112 | ||
| 17 | S | 34.6 | Very low | 41.3 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 138.3 | 159.7 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 18 | P | 38.4 | Very low | 42.9 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -95.4 | 108.7 | 147.1 | 27.9 | -14.2 | 0 | 0 | 0 | 108.5 | ||||
| 19 | S | 36.8 | Very low | 44 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | -56.2 | 131.3 | 163.1 | 39.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 20 | K | 37.6 | Very low | 44.7 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | 166.2 | 122.2 | 120.6 | -91.2 | 178.9 | 174.3 | -178.8 | 0 | 112.4 | |||||
| 21 | D | 41.5 | Very low | 45.6 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | 56.6 | 94.9 | 134 | -44 | -26.1 | 0 | 0 | 0 | 119.1 | ||||
| 22 | L | 42.3 | Very low | 46.8 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 93% | 0.932 | 70% | 0.704 | S | S | * | * | trans | -141.2 | 107.6 | 138.5 | -78.6 | -179.5 | 0 | 0 | 0 | 109.3 | S24 | L22-S24 PolarHBondContact O-N 3.2Š| ||
| 23 | D | 46.6 | Very low | 48 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | trans | -61.9 | 109.4 | 168.8 | -77.5 | -46.8 | 0 | 0 | 0 | 111.3 | ||||
| 24 | S | 45.5 | Very low | 49.2 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -166.6 | 125.5 | 138.1 | -80.2 | 0 | 0 | 0 | 0 | 106.6 | L22 L26 | L22-S24 PolarHBondContact O-N 3.2Å; S24-L26 PolarHBondContact O-N 3.24Å | ||
| 25 | P | 58.9 | Low | 50.2 | Low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -61.8 | 114.6 | 172.8 | 26.3 | -29.8 | 0 | 0 | 0 | 106.1 | P27 | P25-P27 VanDerWaalsContact O-N 3.12Š| ||
| 26 | L | 54.8 | Low | 51.2 | Low | 134 Ų | 134 | 127 Ų | 127 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | trans | -50.5 | 126 | 173.3 | -76.5 | 167.6 | 0 | 0 | 0 | 106.9 | S24 | S24-L26 PolarHBondContact O-N 3.24Š| ||
| 27 | P | 58.3 | Low | 52.4 | Low | 56 Ų | 56 | 130.9 Ų | 130.9 | 36% | 0.364 | 69% | 0.693 | S | S | . | * | trans | -52.9 | 143 | -177.4 | 14.7 | -26.8 | 0 | 0 | 0 | 110 | P25 E31 R32 | P25-P27 VanDerWaalsContact O-N 3.12Å; P27-E31 HydrophobicContact CB-CB 3.93Å; P27-E31 WeakPolarHBondContact CB-OE2 3.46Å; P27-R32 HydrophobicContact CG-CG 4.4Å; P27-R32 WeakPolarHBondContact O-CD 3.47Å | ||
| 28 | P | 68.3 | Low | 54.2 | Low | 75 Ų | 75 | 130 Ų | 130 | 49% | 0.487 | 69% | 0.685 | S | S | . | * | trans | -44.6 | 148.1 | -177.9 | -29.5 | 34.4 | 0 | 0 | 0 | 112.2 | E30 E31 R32 | P28-E30 PolarHBondContact O-N 3.28Å; P28-E31 WeakPolarHBondContact CD-OE2 3.43Å; P28-E31 WeakPolarHBondContact O-CA 3.48Å; P28-E31 WeakPolarHBondContact O-CB 3.48Å; P28-E31 PolarHBondContact O-N 3.33Å; P28-R32 PolarHBondContact O-N 3.23Å; P28-R32 VanDerWaalsContact O-N 3.15Å | ||
| 29 | I | 59.1 | Low | 55.8 | Low | 129 Ų | 129 | 127 Ų | 127 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -50.7 | -34 | -177.4 | -66.6 | 165.8 | 0 | 0 | 0 | 111.2 | R32 L33 | I29-R32 PolarHBondContact O-N 2.99Å; I29-L33 HydrophobicContact CG2-CD1 3.97Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 VanDerWaalsContact O-CG 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.21Å |
| 30 | E | 59.8 | Low | 57.5 | Low | 157 Ų | 157 | 132.2 Ų | 132.2 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -60.3 | -42.9 | 174.5 | -69.8 | 157.5 | 174.5 | 0 | 0 | 113.6 | P28 L33 A34 | P28-E30 PolarHBondContact O-N 3.28Å; E30-L33 PolarHBondContact O-N 2.97Å; E30-A34 WeakPolarHBondContact O-CB 3.43Å; E30-A34 PolarHBondContact O-N 3.35Å |
| 31 | E | 62.6 | Low | 59.5 | Low | 100 Ų | 100 | 131.2 Ų | 131.2 | 47% | 0.467 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -68.3 | -37.5 | 174.1 | -77.2 | -179.6 | 173.5 | 0 | 0 | 111.1 | P27 P28 L33 A34 Y35 | P27-E31 HydrophobicContact CB-CB 3.93Å; P27-E31 WeakPolarHBondContact CB-OE2 3.46Å; P28-E31 WeakPolarHBondContact CD-OE2 3.43Å; P28-E31 WeakPolarHBondContact O-CA 3.48Å; P28-E31 WeakPolarHBondContact O-CB 3.48Å; P28-E31 PolarHBondContact O-N 3.33Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 3.46Å; E31-A34 WeakPolarHBondContact O-CB 3.46Å; E31-A34 PolarHBondContact O-N 3.12Å; E31-Y35 WeakPolarHBondContact O-CD2 3.45Å; E31-Y35 WeakPolarHBondContact O-CE2 3.46Å; E31-Y35 PolarHBondContact O-N 3.02Å |
| 32 | R | 60.8 | Low | 61.5 | Low | 143 Ų | 143 | 128.6 Ų | 128.6 | 54% | 0.54 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -66.9 | -33.2 | 176.1 | -62.4 | 178.2 | 73.1 | -170.7 | 3.5 | 112.5 | P27 P28 I29 | P27-R32 HydrophobicContact CG-CG 4.4Å; P27-R32 WeakPolarHBondContact O-CD 3.47Å; P28-R32 PolarHBondContact O-N 3.23Å; P28-R32 VanDerWaalsContact O-N 3.15Å; I29-R32 PolarHBondContact O-N 2.99Å |
| 33 | L | 60.9 | Low | 63.3 | Low | 108 Ų | 108 | 123.8 Ų | 123.8 | 57% | 0.565 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.5 | -30.3 | 174.4 | -68.9 | 173.8 | 0 | 0 | 0 | 112.3 | I29 E30 E31 Y35 L36 | I29-L33 HydrophobicContact CG2-CD1 3.97Å; I29-L33 HydrophobicContact CG2-CG 4.27Å; I29-L33 VanDerWaalsContact O-CG 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 3.21Å; E30-L33 PolarHBondContact O-N 2.97Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 3.46Å; L33-Y35 VanDerWaalsContact C-N 3.28Å; L33-Y35 PolarHBondContact O-N 3.11Å; L33-L36 HydrophobicContact CD2-CD1 4Å; L33-L36 PolarHBondContact O-N 3.37Å |
| 34 | A | 60.8 | Low | 65 | Low | 82 Ų | 82 | 121.5 Ų | 121.5 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.3 | -30 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E30 E31 L36 | E30-A34 WeakPolarHBondContact O-CB 3.43Å; E30-A34 PolarHBondContact O-N 3.35Å; E31-A34 WeakPolarHBondContact O-CB 3.46Å; E31-A34 PolarHBondContact O-N 3.12Å; A34-L36 VanDerWaalsContact C-N 3.34Å |
| 35 | Y | 54 | Low | 67 | Low | 195 Ų | 195 | 122.1 Ų | 122.1 | 77% | 0.765 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -11.4 | 175.5 | -67.4 | -67.9 | 0 | 0 | 0 | 114.2 | E31 L33 | E31-Y35 WeakPolarHBondContact O-CD2 3.45Å; E31-Y35 WeakPolarHBondContact O-CE2 3.46Å; E31-Y35 PolarHBondContact O-N 3.02Å; L33-Y35 VanDerWaalsContact C-N 3.28Å; L33-Y35 PolarHBondContact O-N 3.11Å |
| 36 | L | 60.2 | Low | 68.3 | Low | 115 Ų | 115 | 122 Ų | 122 | 60% | 0.602 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -83.4 | 121.9 | 175.7 | -68.8 | 171.3 | 0 | 0 | 0 | 109.6 | L33 A34 P38 | L33-L36 HydrophobicContact CD2-CD1 4Å; L33-L36 PolarHBondContact O-N 3.37Å; A34-L36 VanDerWaalsContact C-N 3.34Å; L36-P38 WeakPolarHBondContact O-CD 3.5Å |
| 37 | R | 59.4 | Low | 69.8 | Low | 241 Ų | 241 | 124.2 Ų | 124.2 | 91% | 0.909 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127 | 168.6 | -69.8 | -161.8 | -164.4 | -169.9 | 6.7 | 108.3 | S39 | R37-S39 PolarHBondContact O-N 3.09Š|
| 38 | P | 70.9 | Confident | 71.4 | Confident | 85 Ų | 85 | 127.1 Ų | 127.1 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 131.7 | 172.6 | -26.4 | 34.3 | 0 | 0 | 0 | 110 | L36 L43 | L36-P38 WeakPolarHBondContact O-CD 3.5Å; P38-L43 HydrophobicContact CB-CD1 4.15Å; P38-L43 HydrophobicContact CB-CD2 4.18Å; P38-L43 HydrophobicContact CB-CG 4Å |
| 39 | S | 72.1 | Confident | 72.5 | Confident | 65 Ų | 65 | 127 Ų | 127 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 141.1 | -179.1 | 65.4 | 0 | 0 | 0 | 0 | 110 | R37 E41 L42 L43 | R37-S39 PolarHBondContact O-N 3.09Å; S39-E41 PolarHBondContact O-N 3.45Å; S39-L42 WeakPolarHBondContact O-CB 3.47Å; S39-L42 PolarHBondContact O-N 3.4Å; S39-L42 VanDerWaalsContact OG-CB 3.25Å; S39-L42 WeakPolarHBondContact OG-CB 3.5Å; S39-L42 PolarHBondContact OG-N 3.44Å; S39-L43 PolarHBondContact O-N 3.1Å; S39-L43 VanDerWaalsContact O-N 3.14Å |
| 40 | R | 73.8 | Confident | 73.8 | Confident | 212 Ų | 212 | 124.6 Ų | 124.6 | 80% | 0.8 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -56.3 | -35.9 | -178.1 | -177.2 | 177.8 | 173.4 | -178.1 | -1.5 | 111.8 | Q44 | R40-Q44 WeakPolarHBondContact O-CB 3.48Å; R40-Q44 PolarHBondContact O-N 2.95Å |
| 41 | E | 78.6 | Confident | 75.2 | Confident | 158 Ų | 158 | 120 Ų | 120 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | 177.5 | -64.6 | 172.8 | -176.7 | 0 | 0 | 112.4 | S39 Q44 F45 | S39-E41 PolarHBondContact O-N 3.45Å; E41-Q44 PolarHBondContact O-N 3.42Å; E41-F45 WeakPolarHBondContact O-CB 3.4Å; E41-F45 PolarHBondContact O-N 3.02Å |
| 42 | L | 83.8 | Confident | 76.6 | Confident | 75 Ų | 75 | 120.4 Ų | 120.4 | 39% | 0.393 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.6 | -43.2 | 177.3 | -176.2 | 65 | 0 | 0 | 0 | 111.6 | S39 Q44 F45 Y46 | S39-L42 WeakPolarHBondContact O-CB 3.47Å; S39-L42 PolarHBondContact O-N 3.4Å; S39-L42 VanDerWaalsContact OG-CB 3.25Å; S39-L42 WeakPolarHBondContact OG-CB 3.5Å; S39-L42 PolarHBondContact OG-N 3.44Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 3.3Å; L42-F45 PolarHBondContact O-N 2.95Å; L42-Y46 HydrophobicContact CD1-CD2 3.99Å; L42-Y46 HydrophobicContact CD1-CE2 3.35Å; L42-Y46 HydrophobicContact CD2-CE2 4.2Å; L42-Y46 HydrophobicContact CG-CD2 3.92Å; L42-Y46 HydrophobicContact CG-CE2 3.55Å; L42-Y46 WeakPolarHBondContact O-CD2 3.49Å; L42-Y46 PolarHBondContact O-N 3.45Å |
| 43 | L | 80.6 | Confident | 77.9 | Confident | 78 Ų | 78 | 117.7 Ų | 117.7 | 41% | 0.408 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -38.9 | 174.8 | -71.2 | 173.9 | 0 | 0 | 0 | 111.8 | P38 S39 Y46 R47 | P38-L43 HydrophobicContact CB-CD1 4.15Å; P38-L43 HydrophobicContact CB-CD2 4.18Å; P38-L43 HydrophobicContact CB-CG 4Å; S39-L43 PolarHBondContact O-N 3.1Å; S39-L43 VanDerWaalsContact O-N 3.14Å; L43-Y46 PolarHBondContact O-N 3.36Å; L43-R47 WeakPolarHBondContact O-CB 3.24Å; L43-R47 VanDerWaalsContact O-CG 3.26Å; L43-R47 WeakPolarHBondContact O-CG 3.27Å; L43-R47 PolarHBondContact O-N 2.92Å |
| 44 | Q | 81.2 | Confident | 79.2 | Confident | 118 Ų | 118 | 115.4 Ų | 115.4 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.3 | -41.7 | 176.4 | -174.2 | 168.4 | -2 | 0 | 0 | 111.6 | R40 E41 L42 R47 Q48 | R40-Q44 WeakPolarHBondContact O-CB 3.48Å; R40-Q44 PolarHBondContact O-N 2.95Å; E41-Q44 PolarHBondContact O-N 3.42Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 3.3Å; Q44-R47 PolarHBondContact O-N 3.49Å; Q44-Q48 WeakPolarHBondContact O-CB 3.31Å; Q44-Q48 PolarHBondContact O-N 3.28Å |
| 45 | F | 88.4 | Confident | 80.6 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 173.6 | 174.9 | -98 | 0 | 0 | 0 | 111.8 | E41 L42 R47 Q48 K49 | E41-F45 WeakPolarHBondContact O-CB 3.4Å; E41-F45 PolarHBondContact O-N 3.02Å; L42-F45 PolarHBondContact O-N 2.95Å; F45-R47 PolarHBondContact O-N 3.4Å; F45-Q48 PolarHBondContact O-N 2.9Å; F45-K49 HydrophobicContact CE1-CD 4.13Å; F45-K49 HydrophobicContact CZ-CD 4.35Å; F45-K49 WeakPolarHBondContact O-CB 3.47Å; F45-K49 PolarHBondContact O-N 3.34Å |
| 46 | Y | 86.4 | Confident | 82.4 | Confident | 125 Ų | 125 | 108 Ų | 108 | 49% | 0.49 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 178.5 | -73.2 | -61.6 | 0 | 0 | 0 | 113 | L42 L43 K49 I50 | L42-Y46 HydrophobicContact CD1-CD2 3.99Å; L42-Y46 HydrophobicContact CD1-CE2 3.35Å; L42-Y46 HydrophobicContact CD2-CE2 4.2Å; L42-Y46 HydrophobicContact CG-CD2 3.92Å; L42-Y46 HydrophobicContact CG-CE2 3.55Å; L42-Y46 WeakPolarHBondContact O-CD2 3.49Å; L42-Y46 PolarHBondContact O-N 3.45Å; L43-Y46 PolarHBondContact O-N 3.36Å; Y46-K49 PolarHBondContact O-N 3.23Å; Y46-I50 WeakPolarHBondContact O-CB 3.46Å; Y46-I50 WeakPolarHBondContact O-CD1 3.44Å; Y46-I50 WeakPolarHBondContact O-CG1 3.35Å; Y46-I50 PolarHBondContact O-N 3.44Å |
| 47 | R | 86.5 | Confident | 83.8 | Confident | 180 Ų | 180 | 103.3 Ų | 103.3 | 68% | 0.679 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 173 | -75.5 | 172 | -178.1 | 175.3 | 0.5 | 112 | L43 Q44 F45 K49 I50 A51 | L43-R47 WeakPolarHBondContact O-CB 3.24Å; L43-R47 VanDerWaalsContact O-CG 3.26Å; L43-R47 WeakPolarHBondContact O-CG 3.27Å; L43-R47 PolarHBondContact O-N 2.92Å; Q44-R47 PolarHBondContact O-N 3.49Å; F45-R47 PolarHBondContact O-N 3.4Å; R47-K49 VanDerWaalsContact C-N 3.32Å; R47-I50 PolarHBondContact O-N 3.14Å; R47-A51 PolarHBondContact O-N 3.36Å |
| 48 | Q | 90.9 | Very high | 85.3 | Confident | 116 Ų | 116 | 97.8 Ų | 97.8 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 176.2 | -172.8 | 173 | 12.8 | 0 | 0 | 111.2 | Q44 F45 A51 Q52 | Q44-Q48 WeakPolarHBondContact O-CB 3.31Å; Q44-Q48 PolarHBondContact O-N 3.28Å; F45-Q48 PolarHBondContact O-N 2.9Å; Q48-A51 PolarHBondContact O-N 2.85Å; Q48-Q52 WeakPolarHBondContact O-CG 3.36Å; Q48-Q52 PolarHBondContact O-N 2.86Å |
| 49 | K | 90.8 | Very high | 86.5 | Confident | 74 Ų | 74 | 99.7 Ų | 99.7 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.5 | -163.8 | 176.1 | -176.2 | -179.3 | 0 | 112.3 | F45 Y46 R47 Q52 Y53 | F45-K49 HydrophobicContact CE1-CD 4.13Å; F45-K49 HydrophobicContact CZ-CD 4.35Å; F45-K49 WeakPolarHBondContact O-CB 3.47Å; F45-K49 PolarHBondContact O-N 3.34Å; Y46-K49 PolarHBondContact O-N 3.23Å; R47-K49 VanDerWaalsContact C-N 3.32Å; K49-Q52 PolarHBondContact O-N 3.45Å; K49-Y53 HydrophobicContact CD-CE2 4.12Å; K49-Y53 WeakPolarHBondContact CE-OH 3.1Å; K49-Y53 HydrophobicContact CG-CD2 4.17Å; K49-Y53 HydrophobicContact CG-CE2 3.62Å; K49-Y53 WeakPolarHBondContact O-CD2 3.37Å; K49-Y53 PolarHBondContact O-N 2.87Å |
| 50 | I | 86.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 100.7 Ų | 100.7 | 40% | 0.395 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 173.3 | -69.3 | 162.9 | 0 | 0 | 0 | 110.4 | Y46 R47 Q52 Y53 D54 | Y46-I50 WeakPolarHBondContact O-CB 3.46Å; Y46-I50 WeakPolarHBondContact O-CD1 3.44Å; Y46-I50 WeakPolarHBondContact O-CG1 3.35Å; Y46-I50 PolarHBondContact O-N 3.44Å; R47-I50 PolarHBondContact O-N 3.14Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; I50-Q52 PolarHBondContact O-N 2.97Å; I50-Y53 PolarHBondContact O-N 3.19Å; I50-D54 WeakPolarHBondContact CG2-OD2 3.37Å; I50-D54 VanDerWaalsContact O-CG 3.29Å; I50-D54 PolarHBondContact O-N 2.95Å |
| 51 | A | 90.6 | Very high | 88.4 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R47 Q48 D54 G55 | R47-A51 PolarHBondContact O-N 3.36Å; Q48-A51 PolarHBondContact O-N 2.85Å; A51-D54 PolarHBondContact O-N 3.42Å; A51-G55 PolarHBondContact O-N 3.3Å |
| 52 | Q | 91.9 | Very high | 89.2 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 172.7 | -75.1 | 170.2 | -6.2 | 0 | 0 | 111.5 | Q48 K49 I50 G55 E56 | Q48-Q52 WeakPolarHBondContact O-CG 3.36Å; Q48-Q52 PolarHBondContact O-N 2.86Å; K49-Q52 PolarHBondContact O-N 3.45Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; I50-Q52 PolarHBondContact O-N 2.97Å; Q52-G55 PolarHBondContact O-N 3.31Å; Q52-E56 WeakPolarHBondContact O-CG 3.45Å; Q52-E56 PolarHBondContact O-N 3.47Å |
| 53 | Y | 86.4 | Confident | 89.7 | Confident | 86 Ų | 86 | 91 Ų | 91 | 34% | 0.337 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 176.7 | -72.7 | -52 | 0 | 0 | 0 | 112.6 | K49 I50 G55 E56 H57 | K49-Y53 HydrophobicContact CD-CE2 4.12Å; K49-Y53 WeakPolarHBondContact CE-OH 3.1Å; K49-Y53 HydrophobicContact CG-CD2 4.17Å; K49-Y53 HydrophobicContact CG-CE2 3.62Å; K49-Y53 WeakPolarHBondContact O-CD2 3.37Å; K49-Y53 PolarHBondContact O-N 2.87Å; I50-Y53 PolarHBondContact O-N 3.19Å; Y53-G55 VanDerWaalsContact C-N 3.27Å; Y53-G55 PolarHBondContact O-N 2.9Å; Y53-E56 WeakPolarHBondContact CD1-OE2 3.32Å; Y53-E56 PolarHBondContact O-N 2.93Å; Y53-H57 PolarHBondContact O-CD2 2.81Å; Y53-H57 PolarHBondContact O-CE1 3.33Å; Y53-H57 VanDerWaalsContact O-CE1 3.28Å; Y53-H57 PolarHBondContact O-N 3Å; Y53-H57 PolarHBondContact O-ND1 3.19Å; Y53-H57 VanDerWaalsContact O-ND1 3.07Å; Y53-H57 PolarHBondContact O-NE2 3.23Å |
| 54 | D | 88.2 | Confident | 90.4 | Very high | 61 Ų | 61 | 88.3 Ų | 88.3 | 33% | 0.326 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 176.7 | -65.4 | -23 | 0 | 0 | 0 | 110.3 | I50 A51 H57 E58 K287 | I50-D54 WeakPolarHBondContact CG2-OD2 3.37Å; I50-D54 VanDerWaalsContact O-CG 3.29Å; I50-D54 PolarHBondContact O-N 2.95Å; A51-D54 PolarHBondContact O-N 3.42Å; D54-H57 WeakPolarHBondContact O-CB 3.22Å; D54-H57 PolarHBondContact O-N 3.42Å; D54-E58 PolarHBondContact O-N 2.94Å; D54-K287 IonicContact OD1-NZ 3.32Å; D54-K287 PolarHBondContact OD1-NZ 3.06Å; D54-K287 IonicContact OD2-NZ 3.65Å; D54-K287 PolarHBondContact OD2-NZ 3.36Å |
| 55 | G | 92.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 88.8 Ų | 88.8 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A51 Q52 Y53 H57 E58 E59 | A51-G55 PolarHBondContact O-N 3.3Å; Q52-G55 PolarHBondContact O-N 3.31Å; Y53-G55 VanDerWaalsContact C-N 3.27Å; Y53-G55 PolarHBondContact O-N 2.9Å; G55-H57 PolarHBondContact O-N 2.92Å; G55-H57 VanDerWaalsContact O-N 3.17Å; G55-E58 PolarHBondContact O-N 2.98Å; G55-E59 WeakPolarHBondContact O-CG 3.43Å; G55-E59 PolarHBondContact O-N 3.34Å |
| 56 | E | 91.1 | Very high | 91.4 | Very high | 95 Ų | 95 | 88.6 Ų | 88.6 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.2 | -30.8 | 173.6 | -71.1 | 172.9 | -172 | 0 | 0 | 111.6 | Q52 Y53 L60 | Q52-E56 WeakPolarHBondContact O-CG 3.45Å; Q52-E56 PolarHBondContact O-N 3.47Å; Y53-E56 WeakPolarHBondContact CD1-OE2 3.32Å; Y53-E56 PolarHBondContact O-N 2.93Å; E56-L60 WeakPolarHBondContact O-CB 3.43Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 3.27Å |
| 57 | H | 88.7 | Confident | 91.8 | Very high | 17 Ų | 17 | 88.6 Ų | 88.6 | 8% | 0.079 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.6 | -46.8 | 177.3 | -61.7 | -16.8 | 0 | 0 | 0 | 112.5 | Y53 D54 G55 E59 L60 L61 F280 R283 | Y53-H57 PolarHBondContact O-CD2 2.81Å; Y53-H57 PolarHBondContact O-CE1 3.33Å; Y53-H57 VanDerWaalsContact O-CE1 3.28Å; Y53-H57 PolarHBondContact O-N 3Å; Y53-H57 PolarHBondContact O-ND1 3.19Å; Y53-H57 VanDerWaalsContact O-ND1 3.07Å; Y53-H57 PolarHBondContact O-NE2 3.23Å; D54-H57 WeakPolarHBondContact O-CB 3.22Å; D54-H57 PolarHBondContact O-N 3.42Å; G55-H57 PolarHBondContact O-N 2.92Å; G55-H57 VanDerWaalsContact O-N 3.17Å; H57-E59 VanDerWaalsContact C-N 3.3Å; H57-E59 PolarHBondContact O-N 3.23Å; H57-L60 PolarHBondContact O-N 3.49Å; H57-L61 WeakPolarHBondContact O-CG 3.35Å; H57-L61 PolarHBondContact O-N 3.47Å; H57-F280 HydrophobicContact CB-CD1 4.25Å; H57-F280 HydrophobicContact CB-CE1 3.58Å; H57-F280 HydrophobicContact CB-CE2 4.21Å; H57-F280 HydrophobicContact CB-CZ 3.51Å; H57-F280 AromaticContact CD2-CD1 3.49Å; H57-F280 VanDerWaalsContact CD2-CD1 3.49Å; H57-F280 WeakPolarHBondContact CD2-CD1 3.5Å; H57-F280 AromaticContact CD2-CE1 3.32Å; H57-F280 WeakPolarHBondContact CD2-CE1 3.35Å; H57-F280 AromaticContact CE1-CE1 3.4Å; H57-F280 WeakPolarHBondContact CE1-CE1 3.31Å; H57-F280 AromaticContact CG-CD1 3.67Å; H57-F280 AromaticContact CG-CE1 3.03Å; H57-F280 AromaticContact CG-CZ 3.51Å; H57-F280 AromaticContact ND1-CE1 3.1Å; H57-F280 WeakPolarHBondContact ND1-CE1 3.48Å; H57-F280 AromaticContact ND1-CZ 3.63Å; H57-F280 AromaticContact NE2-CD1 3.72Å; H57-F280 AromaticContact NE2-CE1 3.51Å; H57-R283 PolarHBondContact CE1-NH1 2.93Å; H57-R283 PolarHBondContact NE2-NH1 3.41Å |
| 58 | E | 92.1 | Very high | 92.2 | Very high | 125 Ų | 125 | 84.2 Ų | 84.2 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 175 | -68.7 | 177 | -177.3 | 0 | 0 | 111 | D54 G55 L60 L61 Q62 | D54-E58 PolarHBondContact O-N 2.94Å; G55-E58 PolarHBondContact O-N 2.98Å; E58-L60 PolarHBondContact O-N 3.21Å; E58-L61 PolarHBondContact O-N 2.88Å; E58-Q62 WeakPolarHBondContact O-CB 3.25Å; E58-Q62 VanDerWaalsContact O-CG 3.27Å; E58-Q62 WeakPolarHBondContact O-CG 3.35Å; E58-Q62 PolarHBondContact O-N 2.83Å |
| 59 | E | 95.4 | Very high | 92.4 | Very high | 126 Ų | 126 | 81.1 Ų | 81.1 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 175.6 | -72 | 177.2 | -174.4 | 0 | 0 | 112.2 | G55 H57 L61 Q62 M63 | G55-E59 WeakPolarHBondContact O-CG 3.43Å; G55-E59 PolarHBondContact O-N 3.34Å; H57-E59 VanDerWaalsContact C-N 3.3Å; H57-E59 PolarHBondContact O-N 3.23Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 2.92Å; E59-Q62 PolarHBondContact O-N 3.29Å; E59-M63 WeakPolarHBondContact O-CB 3.24Å; E59-M63 VanDerWaalsContact O-CG 3.25Å; E59-M63 WeakPolarHBondContact O-CG 3.36Å; E59-M63 PolarHBondContact O-N 2.92Å |
| 60 | L | 92.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 81.4 Ų | 81.4 | 45% | 0.45 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 177.8 | -73.6 | 171.4 | 0 | 0 | 0 | 112.4 | E56 H57 E58 M63 L64 L276 | E56-L60 WeakPolarHBondContact O-CB 3.43Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 3.27Å; H57-L60 PolarHBondContact O-N 3.49Å; E58-L60 PolarHBondContact O-N 3.21Å; L60-M63 PolarHBondContact O-N 3.44Å; L60-L64 PolarHBondContact O-N 3.34Å; L60-L276 HydrophobicContact CD1-CD2 4.43Å |
| 61 | L | 93.2 | Very high | 92.9 | Very high | 61 Ų | 61 | 78.5 Ų | 78.5 | 32% | 0.319 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 175.5 | -72.5 | 172.7 | 0 | 0 | 0 | 111.6 | H57 E58 E59 M63 L64 E65 L276 F280 | H57-L61 WeakPolarHBondContact O-CG 3.35Å; H57-L61 PolarHBondContact O-N 3.47Å; E58-L61 PolarHBondContact O-N 2.88Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 2.92Å; L61-M63 VanDerWaalsContact C-N 3.28Å; L61-M63 PolarHBondContact O-N 3.27Å; L61-L64 WeakPolarHBondContact O-CB 3.25Å; L61-L64 PolarHBondContact O-N 2.9Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L61-E65 WeakPolarHBondContact O-CG 3.24Å; L61-E65 PolarHBondContact O-N 2.86Å; L61-L276 HydrophobicContact CD2-CD1 4.15Å; L61-F280 HydrophobicContact CD1-CE2 4.29Å; L61-F280 HydrophobicContact CD2-CE2 4.46Å; L61-F280 HydrophobicContact CG-CE2 4.31Å |
| 62 | Q | 95.3 | Very high | 93 | Very high | 96 Ų | 96 | 79.4 Ų | 79.4 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 175.6 | -72.1 | 174.2 | 23.1 | 0 | 0 | 111.9 | E58 E59 E65 K66 | E58-Q62 WeakPolarHBondContact O-CB 3.25Å; E58-Q62 VanDerWaalsContact O-CG 3.27Å; E58-Q62 WeakPolarHBondContact O-CG 3.35Å; E58-Q62 PolarHBondContact O-N 2.83Å; E59-Q62 PolarHBondContact O-N 3.29Å; Q62-E65 PolarHBondContact O-N 2.88Å; Q62-K66 VanDerWaalsContact O-CG 3.22Å; Q62-K66 WeakPolarHBondContact O-CG 3.43Å; Q62-K66 PolarHBondContact O-N 2.87Å |
| 63 | M | 95.4 | Very high | 93.2 | Very high | 85 Ų | 85 | 77.7 Ų | 77.7 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 174.7 | -74.3 | -63.7 | -63.9 | 0 | 0 | 111.5 | E59 L60 L61 K66 F67 | E59-M63 WeakPolarHBondContact O-CB 3.24Å; E59-M63 VanDerWaalsContact O-CG 3.25Å; E59-M63 WeakPolarHBondContact O-CG 3.36Å; E59-M63 PolarHBondContact O-N 2.92Å; L60-M63 PolarHBondContact O-N 3.44Å; L61-M63 VanDerWaalsContact C-N 3.28Å; L61-M63 PolarHBondContact O-N 3.27Å; M63-K66 PolarHBondContact O-N 2.89Å; M63-K66 HydrophobicContact SD-CD 4.33Å; M63-F67 HydrophobicContact CE-CE2 3.79Å; M63-F67 HydrophobicContact CE-CZ 3.99Å; M63-F67 WeakPolarHBondContact O-CD2 3.2Å; M63-F67 PolarHBondContact O-N 2.89Å |
| 64 | L | 94.8 | Very high | 93.4 | Very high | 21 Ų | 21 | 78.6 Ų | 78.6 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.2 | -175.5 | 64.9 | 0 | 0 | 0 | 112.1 | L60 L61 F67 K68 T272 R273 L276 | L60-L64 PolarHBondContact O-N 3.34Å; L61-L64 WeakPolarHBondContact O-CB 3.25Å; L61-L64 PolarHBondContact O-N 2.9Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L64-F67 PolarHBondContact O-N 2.97Å; L64-K68 PolarHBondContact O-N 2.89Å; L64-T272 HydrophobicContact CD1-CG2 3.97Å; L64-T272 HydrophobicContact CD2-CG2 4.39Å; L64-R273 HydrophobicContact CD2-CB 3.83Å; L64-R273 HydrophobicContact CD2-CG 4.44Å; L64-L276 HydrophobicContact CD2-CD1 4.21Å |
| 65 | E | 95.1 | Very high | 93.5 | Very high | 128 Ų | 128 | 76.7 Ų | 76.7 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 176.5 | -73 | 176.7 | 176.1 | 0 | 0 | 112.4 | L61 Q62 K68 S69 | L61-E65 WeakPolarHBondContact O-CG 3.24Å; L61-E65 PolarHBondContact O-N 2.86Å; Q62-E65 PolarHBondContact O-N 2.88Å; E65-K68 WeakPolarHBondContact O-CB 3.19Å; E65-K68 PolarHBondContact O-N 3.33Å; E65-S69 PolarHBondContact O-N 3.41Å |
| 66 | K | 96 | Very high | 93.6 | Very high | 107 Ų | 107 | 80.7 Ų | 80.7 | 47% | 0.465 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 173.4 | -71.6 | 166.5 | -171.1 | 170.6 | 0 | 111.9 | Q62 M63 K68 S69 I70 | Q62-K66 VanDerWaalsContact O-CG 3.22Å; Q62-K66 WeakPolarHBondContact O-CG 3.43Å; Q62-K66 PolarHBondContact O-N 2.87Å; M63-K66 PolarHBondContact O-N 2.89Å; M63-K66 HydrophobicContact SD-CD 4.33Å; K66-K68 VanDerWaalsContact C-N 3.29Å; K66-K68 PolarHBondContact O-N 3Å; K66-S69 PolarHBondContact O-N 2.91Å; K66-S69 PolarHBondContact O-OG 3.44Å; K66-I70 WeakPolarHBondContact O-CD1 3.36Å; K66-I70 VanDerWaalsContact O-CG1 3.22Å; K66-I70 WeakPolarHBondContact O-CG1 3.26Å; K66-I70 PolarHBondContact O-N 2.9Å |
| 67 | F | 93.8 | Very high | 93.8 | Very high | 126 Ų | 126 | 81.1 Ų | 81.1 | 55% | 0.553 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.4 | -36.4 | 176.7 | -73.6 | -58.8 | 0 | 0 | 0 | 112.1 | M63 L64 A71 | M63-F67 HydrophobicContact CE-CE2 3.79Å; M63-F67 HydrophobicContact CE-CZ 3.99Å; M63-F67 WeakPolarHBondContact O-CD2 3.2Å; M63-F67 PolarHBondContact O-N 2.89Å; L64-F67 PolarHBondContact O-N 2.97Å; F67-A71 WeakPolarHBondContact O-CB 3.41Å; F67-A71 PolarHBondContact O-N 3.41Å |
| 68 | K | 95.4 | Very high | 93.9 | Very high | 87 Ų | 87 | 83 Ų | 83 | 38% | 0.378 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 172.8 | -167.7 | -168.6 | -178.4 | -159.7 | 0 | 111.7 | L64 E65 K66 I70 A71 E72 | L64-K68 PolarHBondContact O-N 2.89Å; E65-K68 WeakPolarHBondContact O-CB 3.19Å; E65-K68 PolarHBondContact O-N 3.33Å; K66-K68 VanDerWaalsContact C-N 3.29Å; K66-K68 PolarHBondContact O-N 3Å; K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 3.01Å; K68-A71 PolarHBondContact O-N 3.16Å; K68-E72 WeakPolarHBondContact CE-OE1 3.3Å; K68-E72 IonicContact NZ-OE1 3.95Å; K68-E72 WeakPolarHBondContact O-CG 3.5Å; K68-E72 PolarHBondContact O-N 2.86Å |
| 69 | S | 95.8 | Very high | 93.8 | Very high | 51 Ų | 51 | 84.4 Ų | 84.4 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 179.4 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | E65 K66 A71 E72 D73 | E65-S69 PolarHBondContact O-N 3.41Å; K66-S69 PolarHBondContact O-N 2.91Å; K66-S69 PolarHBondContact O-OG 3.44Å; S69-A71 PolarHBondContact O-N 2.65Å; S69-E72 PolarHBondContact O-N 3.46Å; S69-D73 WeakPolarHBondContact O-CB 3.36Å; S69-D73 VanDerWaalsContact O-CG 3.22Å; S69-D73 PolarHBondContact O-N 2.86Å |
| 70 | I | 94.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 82.1 Ų | 82.1 | 41% | 0.41 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.1 | -68.5 | 164.2 | 0 | 0 | 0 | 111.1 | K66 K68 D73 Q74 | K66-I70 WeakPolarHBondContact O-CD1 3.36Å; K66-I70 VanDerWaalsContact O-CG1 3.22Å; K66-I70 WeakPolarHBondContact O-CG1 3.26Å; K66-I70 PolarHBondContact O-N 2.9Å; K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 3.01Å; I70-D73 PolarHBondContact O-N 3.16Å; I70-Q74 HydrophobicContact CG2-CG 4.49Å; I70-Q74 WeakPolarHBondContact O-CB 3.28Å; I70-Q74 VanDerWaalsContact O-CG 3.26Å; I70-Q74 WeakPolarHBondContact O-CG 3.47Å; I70-Q74 PolarHBondContact O-N 3.47Å |
| 71 | A | 92.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 82.7 Ų | 82.7 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F67 K68 S69 D73 Q74 H75 | F67-A71 WeakPolarHBondContact O-CB 3.41Å; F67-A71 PolarHBondContact O-N 3.41Å; K68-A71 PolarHBondContact O-N 3.16Å; S69-A71 PolarHBondContact O-N 2.65Å; A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 2.87Å; A71-Q74 WeakPolarHBondContact O-CB 3.46Å; A71-Q74 PolarHBondContact O-N 2.96Å; A71-H75 PolarHBondContact O-CD2 3.47Å; A71-H75 PolarHBondContact O-N 3.48Å |
| 72 | E | 93.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 80.9 Ų | 80.9 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 176.2 | -71.5 | 174.7 | -172.8 | 0 | 0 | 112.3 | K68 S69 H75 K76 | K68-E72 WeakPolarHBondContact CE-OE1 3.3Å; K68-E72 IonicContact NZ-OE1 3.95Å; K68-E72 WeakPolarHBondContact O-CG 3.5Å; K68-E72 PolarHBondContact O-N 2.86Å; S69-E72 PolarHBondContact O-N 3.46Å; E72-H75 PolarHBondContact O-N 2.87Å; E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-K76 PolarHBondContact O-N 3.27Å |
| 73 | D | 95.2 | Very high | 93.4 | Very high | 73 Ų | 73 | 81 Ų | 81 | 39% | 0.39 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 178.1 | -68.3 | -18.6 | 0 | 0 | 0 | 112.2 | S69 I70 A71 H75 K76 L77 | S69-D73 WeakPolarHBondContact O-CB 3.36Å; S69-D73 VanDerWaalsContact O-CG 3.22Å; S69-D73 PolarHBondContact O-N 2.86Å; I70-D73 PolarHBondContact O-N 3.16Å; A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 2.87Å; D73-H75 VanDerWaalsContact C-N 3.34Å; D73-H75 PolarHBondContact O-N 3.5Å; D73-K76 PolarHBondContact O-N 2.92Å; D73-K76 IonicContact OD1-NZ 3.27Å; D73-K76 PolarHBondContact OD1-NZ 2.85Å; D73-L77 WeakPolarHBondContact O-CB 3.32Å; D73-L77 VanDerWaalsContact O-CG 3.26Å; D73-L77 WeakPolarHBondContact O-CG 3.49Å; D73-L77 PolarHBondContact O-N 3.46Å |
| 74 | Q | 90.8 | Very high | 93.4 | Very high | 104 Ų | 104 | 84.2 Ų | 84.2 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 170.9 | -75.8 | 173.8 | 0.7 | 0 | 0 | 111.7 | I70 A71 L77 Q78 | I70-Q74 HydrophobicContact CG2-CG 4.49Å; I70-Q74 WeakPolarHBondContact O-CB 3.28Å; I70-Q74 VanDerWaalsContact O-CG 3.26Å; I70-Q74 WeakPolarHBondContact O-CG 3.47Å; I70-Q74 PolarHBondContact O-N 3.47Å; A71-Q74 WeakPolarHBondContact O-CB 3.46Å; A71-Q74 PolarHBondContact O-N 2.96Å; Q74-L77 PolarHBondContact O-N 3.34Å; Q74-Q78 WeakPolarHBondContact O-CB 3.35Å; Q74-Q78 PolarHBondContact O-N 3.24Å |
| 75 | H | 91.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 88.6 Ų | 88.6 | 10% | 0.102 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 176.5 | -73.7 | -63.9 | 0 | 0 | 0 | 111.9 | A71 E72 D73 L77 Q78 Y79 Q262 Q265 | A71-H75 PolarHBondContact O-CD2 3.47Å; A71-H75 PolarHBondContact O-N 3.48Å; E72-H75 PolarHBondContact O-N 2.87Å; D73-H75 VanDerWaalsContact C-N 3.34Å; D73-H75 PolarHBondContact O-N 3.5Å; H75-L77 PolarHBondContact O-N 2.89Å; H75-Q78 WeakPolarHBondContact O-CB 2.93Å; H75-Q78 PolarHBondContact O-N 2.82Å; H75-Y79 WeakPolarHBondContact O-CD2 3.37Å; H75-Y79 PolarHBondContact O-N 3.45Å; H75-Q262 PolarHBondContact CD2-OE1 3.42Å; H75-Q262 VanDerWaalsContact NE2-CD 3.28Å; H75-Q262 PolarHBondContact NE2-OE1 3.29Å; H75-Q265 PolarHBondContact NE2-OE1 3.45Å |
| 76 | K | 94.2 | Very high | 92.9 | Very high | 108 Ų | 108 | 88 Ų | 88 | 47% | 0.47 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.1 | -50.1 | 175.4 | -69.4 | 171.1 | -158.3 | 154.7 | 0 | 111.5 | E72 D73 Q78 Y79 D80 | E72-K76 WeakPolarHBondContact O-CG 3.37Å; E72-K76 PolarHBondContact O-N 3.27Å; D73-K76 PolarHBondContact O-N 2.92Å; D73-K76 IonicContact OD1-NZ 3.27Å; D73-K76 PolarHBondContact OD1-NZ 2.85Å; K76-Q78 VanDerWaalsContact C-N 3.26Å; K76-Q78 PolarHBondContact O-N 3.2Å; K76-Y79 WeakPolarHBondContact O-CB 3.37Å; K76-Y79 PolarHBondContact O-N 3.11Å; K76-Y79 VanDerWaalsContact O-N 3.08Å; K76-D80 PolarHBondContact O-N 3.29Å |
| 77 | L | 94.4 | Very high | 93 | Very high | 105 Ų | 105 | 86.8 Ų | 86.8 | 55% | 0.55 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.2 | -38.6 | 177.6 | -72.9 | 169.3 | 0 | 0 | 0 | 111.9 | D73 Q74 H75 D80 I81 | D73-L77 WeakPolarHBondContact O-CB 3.32Å; D73-L77 VanDerWaalsContact O-CG 3.26Å; D73-L77 WeakPolarHBondContact O-CG 3.49Å; D73-L77 PolarHBondContact O-N 3.46Å; Q74-L77 PolarHBondContact O-N 3.34Å; H75-L77 PolarHBondContact O-N 2.89Å; L77-D80 PolarHBondContact O-N 2.89Å; L77-I81 VanDerWaalsContact O-CG1 3.26Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.49Å |
| 78 | Q | 90.3 | Very high | 93 | Very high | 57 Ų | 57 | 84.3 Ų | 84.3 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 176.4 | -168.8 | 178 | 2.5 | 0 | 0 | 112.1 | Q74 H75 K76 Q82 S258 | Q74-Q78 WeakPolarHBondContact O-CB 3.35Å; Q74-Q78 PolarHBondContact O-N 3.24Å; H75-Q78 WeakPolarHBondContact O-CB 2.93Å; H75-Q78 PolarHBondContact O-N 2.82Å; K76-Q78 VanDerWaalsContact C-N 3.26Å; K76-Q78 PolarHBondContact O-N 3.2Å; Q78-Q82 WeakPolarHBondContact O-CG 3.27Å; Q78-Q82 PolarHBondContact O-N 3.44Å; Q78-Q82 VanDerWaalsContact O-N 3.14Å; Q78-S258 PolarHBondContact NE2-OG 2.96Å |
| 79 | Y | 90.4 | Very high | 92.8 | Very high | 153 Ų | 153 | 83.3 Ų | 83.3 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 173.3 | -82.4 | -70.7 | 0 | 0 | 0 | 112.1 | H75 K76 I81 Q82 E83 | H75-Y79 WeakPolarHBondContact O-CD2 3.37Å; H75-Y79 PolarHBondContact O-N 3.45Å; K76-Y79 WeakPolarHBondContact O-CB 3.37Å; K76-Y79 PolarHBondContact O-N 3.11Å; K76-Y79 VanDerWaalsContact O-N 3.08Å; Y79-I81 VanDerWaalsContact C-N 3.31Å; Y79-I81 PolarHBondContact O-N 2.86Å; Y79-Q82 PolarHBondContact O-N 2.92Å; Y79-Q82 VanDerWaalsContact O-N 3.16Å; Y79-E83 PolarHBondContact O-N 2.99Å |
| 80 | D | 95.1 | Very high | 92.8 | Very high | 78 Ų | 78 | 86.9 Ų | 86.9 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178.3 | -67.7 | -9.1 | 0 | 0 | 0 | 111 | K76 L77 Q82 E83 R84 | K76-D80 PolarHBondContact O-N 3.29Å; L77-D80 PolarHBondContact O-N 2.89Å; D80-Q82 PolarHBondContact O-N 3.42Å; D80-E83 PolarHBondContact O-N 3.41Å; D80-R84 VanDerWaalsContact O-CG 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.43Å; D80-R84 PolarHBondContact O-N 3.41Å |
| 81 | I | 92 | Very high | 92.9 | Very high | 98 Ų | 98 | 89 Ų | 89 | 50% | 0.503 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60 | -47 | 175.7 | -72.1 | 166.8 | 0 | 0 | 0 | 110.6 | L77 Y79 E83 R84 E85 | L77-I81 VanDerWaalsContact O-CG1 3.26Å; L77-I81 WeakPolarHBondContact O-CG1 3.45Å; L77-I81 PolarHBondContact O-N 3.49Å; Y79-I81 VanDerWaalsContact C-N 3.31Å; Y79-I81 PolarHBondContact O-N 2.86Å; I81-E83 VanDerWaalsContact C-N 3.29Å; I81-E83 PolarHBondContact O-N 2.79Å; I81-R84 PolarHBondContact O-N 3.22Å; I81-E85 HydrophobicContact CG2-CG 4.41Å; I81-E85 WeakPolarHBondContact O-CB 3.31Å; I81-E85 WeakPolarHBondContact O-CG 3.48Å; I81-E85 PolarHBondContact O-N 3.36Å |
| 82 | Q | 89.1 | Confident | 92.9 | Very high | 24 Ų | 24 | 93.5 Ų | 93.5 | 11% | 0.112 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 178.3 | -71.8 | 179 | 14.8 | 0 | 0 | 112.5 | Q78 Y79 D80 R86 | Q78-Q82 WeakPolarHBondContact O-CG 3.27Å; Q78-Q82 PolarHBondContact O-N 3.44Å; Q78-Q82 VanDerWaalsContact O-N 3.14Å; Y79-Q82 PolarHBondContact O-N 2.92Å; Y79-Q82 VanDerWaalsContact O-N 3.16Å; D80-Q82 PolarHBondContact O-N 3.42Å; Q82-R86 WeakPolarHBondContact O-CG 3.39Å; Q82-R86 PolarHBondContact O-N 3.29Å; Q82-R86 VanDerWaalsContact O-N 3.1Å |
| 83 | E | 92.6 | Very high | 92.9 | Very high | 99 Ų | 99 | 94.3 Ų | 94.3 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 175.2 | -173.5 | 173.1 | -155.7 | 0 | 0 | 111.4 | Y79 D80 I81 E85 R86 E87 | Y79-E83 PolarHBondContact O-N 2.99Å; D80-E83 PolarHBondContact O-N 3.41Å; I81-E83 VanDerWaalsContact C-N 3.29Å; I81-E83 PolarHBondContact O-N 2.79Å; E83-E85 VanDerWaalsContact C-N 3.31Å; E83-E85 PolarHBondContact O-N 2.93Å; E83-R86 WeakPolarHBondContact O-CA 3.41Å; E83-R86 WeakPolarHBondContact O-CB 3.41Å; E83-R86 PolarHBondContact O-N 3.2Å; E83-E87 PolarHBondContact O-N 3.1Å |
| 84 | R | 94.2 | Very high | 92.9 | Very high | 152 Ų | 152 | 93.6 Ų | 93.6 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.6 | -37.4 | 176.2 | -64.6 | -65.1 | 168.1 | 69.6 | 8.5 | 112.4 | D80 I81 R86 E87 V88 | D80-R84 VanDerWaalsContact O-CG 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.43Å; D80-R84 PolarHBondContact O-N 3.41Å; I81-R84 PolarHBondContact O-N 3.22Å; R84-R86 VanDerWaalsContact C-N 3.32Å; R84-R86 PolarHBondContact O-N 3.16Å; R84-E87 WeakPolarHBondContact CD-OE2 3.44Å; R84-E87 IonicContact NE-OE2 3.79Å; R84-E87 PolarHBondContact O-N 3.04Å; R84-V88 WeakPolarHBondContact O-CB 3.26Å; R84-V88 VanDerWaalsContact O-CG2 3.28Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; R84-V88 PolarHBondContact O-N 3.33Å |
| 85 | E | 90.1 | Very high | 93.1 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 52% | 0.523 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 172.4 | -75.8 | 176.4 | 171.7 | 0 | 0 | 111.6 | I81 E83 V88 T89 | I81-E85 HydrophobicContact CG2-CG 4.41Å; I81-E85 WeakPolarHBondContact O-CB 3.31Å; I81-E85 WeakPolarHBondContact O-CG 3.48Å; I81-E85 PolarHBondContact O-N 3.36Å; E83-E85 VanDerWaalsContact C-N 3.31Å; E83-E85 PolarHBondContact O-N 2.93Å; E85-V88 PolarHBondContact O-N 2.92Å; E85-T89 WeakPolarHBondContact O-CG2 3.4Å; E85-T89 PolarHBondContact O-N 3.35Å; E85-T89 PolarHBondContact O-OG1 3.21Å |
| 86 | R | 90.3 | Very high | 93.1 | Very high | 115 Ų | 115 | 94.9 Ų | 94.9 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 174.9 | -68.4 | 174.3 | -158.4 | 117.7 | 5.7 | 111.4 | Q82 E83 R84 V88 T89 Q90 | Q82-R86 WeakPolarHBondContact O-CG 3.39Å; Q82-R86 PolarHBondContact O-N 3.29Å; Q82-R86 VanDerWaalsContact O-N 3.1Å; E83-R86 WeakPolarHBondContact O-CA 3.41Å; E83-R86 WeakPolarHBondContact O-CB 3.41Å; E83-R86 PolarHBondContact O-N 3.2Å; R84-R86 VanDerWaalsContact C-N 3.32Å; R84-R86 PolarHBondContact O-N 3.16Å; R86-V88 VanDerWaalsContact C-N 3.33Å; R86-V88 PolarHBondContact O-N 2.64Å; R86-T89 WeakPolarHBondContact CA-OG1 3.21Å; R86-T89 PolarHBondContact O-N 3.26Å; R86-T89 VanDerWaalsContact O-N 3.17Å; R86-T89 PolarHBondContact O-OG1 3.47Å; R86-Q90 WeakPolarHBondContact O-CG 3.24Å; R86-Q90 PolarHBondContact O-N 3.47Å |
| 87 | E | 96.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 93.9 Ų | 93.9 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57 | -46.2 | 175.7 | -69.5 | 177 | -179.4 | 0 | 0 | 111.6 | E83 R84 T89 Q90 L91 | E83-E87 PolarHBondContact O-N 3.1Å; R84-E87 WeakPolarHBondContact CD-OE2 3.44Å; R84-E87 IonicContact NE-OE2 3.79Å; R84-E87 PolarHBondContact O-N 3.04Å; E87-T89 VanDerWaalsContact C-N 3.32Å; E87-T89 PolarHBondContact O-N 2.84Å; E87-Q90 WeakPolarHBondContact O-CB 3.36Å; E87-Q90 PolarHBondContact O-N 3.41Å; E87-Q90 VanDerWaalsContact O-N 3.15Å; E87-L91 WeakPolarHBondContact O-CG 3.39Å; E87-L91 PolarHBondContact O-N 2.91Å |
| 88 | V | 94.7 | Very high | 93.2 | Very high | 74 Ų | 74 | 94.2 Ų | 94.2 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | R84 E85 R86 Q90 L91 Q92 | R84-V88 WeakPolarHBondContact O-CB 3.26Å; R84-V88 VanDerWaalsContact O-CG2 3.28Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; R84-V88 PolarHBondContact O-N 3.33Å; E85-V88 PolarHBondContact O-N 2.92Å; R86-V88 VanDerWaalsContact C-N 3.33Å; R86-V88 PolarHBondContact O-N 2.64Å; V88-Q90 VanDerWaalsContact C-N 3.35Å; V88-Q90 PolarHBondContact O-N 3.34Å; V88-L91 PolarHBondContact O-N 2.86Å; V88-Q92 HydrophobicContact CG1-CG 4.38Å; V88-Q92 WeakPolarHBondContact O-CB 3.32Å; V88-Q92 VanDerWaalsContact O-CG 3.25Å; V88-Q92 WeakPolarHBondContact O-CG 3.39Å; V88-Q92 PolarHBondContact O-N 3.21Å |
| 89 | T | 90.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 96.2 Ų | 96.2 | 40% | 0.399 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.3 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | E85 R86 E87 Q92 N93 | E85-T89 WeakPolarHBondContact O-CG2 3.4Å; E85-T89 PolarHBondContact O-N 3.35Å; E85-T89 PolarHBondContact O-OG1 3.21Å; R86-T89 WeakPolarHBondContact CA-OG1 3.21Å; R86-T89 PolarHBondContact O-N 3.26Å; R86-T89 VanDerWaalsContact O-N 3.17Å; R86-T89 PolarHBondContact O-OG1 3.47Å; E87-T89 VanDerWaalsContact C-N 3.32Å; E87-T89 PolarHBondContact O-N 2.84Å; T89-Q92 PolarHBondContact O-N 2.88Å; T89-N93 PolarHBondContact O-N 3.46Å; T89-N93 PolarHBondContact O-ND2 2.91Å; T89-N93 PolarHBondContact O-OD1 2.9Å |
| 90 | Q | 95.1 | Very high | 93.5 | Very high | 127 Ų | 127 | 92.5 Ų | 92.5 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 175.6 | -69.8 | 171 | 11.2 | 0 | 0 | 111.3 | R86 E87 V88 N93 A94 | R86-Q90 WeakPolarHBondContact O-CG 3.24Å; R86-Q90 PolarHBondContact O-N 3.47Å; E87-Q90 WeakPolarHBondContact O-CB 3.36Å; E87-Q90 PolarHBondContact O-N 3.41Å; E87-Q90 VanDerWaalsContact O-N 3.15Å; V88-Q90 VanDerWaalsContact C-N 3.35Å; V88-Q90 PolarHBondContact O-N 3.34Å; Q90-N93 PolarHBondContact O-N 3.39Å; Q90-A94 PolarHBondContact O-N 2.96Å |
| 91 | L | 96.9 | Very high | 93.5 | Very high | 125 Ų | 125 | 95.5 Ų | 95.5 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 175.9 | -68.6 | 175.7 | 0 | 0 | 0 | 111.9 | E87 V88 N93 A94 L95 | E87-L91 WeakPolarHBondContact O-CG 3.39Å; E87-L91 PolarHBondContact O-N 2.91Å; V88-L91 PolarHBondContact O-N 2.86Å; L91-N93 VanDerWaalsContact C-N 3.35Å; L91-A94 PolarHBondContact O-N 3.3Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 PolarHBondContact O-N 2.83Å |
| 92 | Q | 92.9 | Very high | 93.7 | Very high | 111 Ų | 111 | 95.2 Ų | 95.2 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 173.9 | -75.7 | 174.8 | -3.5 | 0 | 0 | 111.8 | V88 T89 L95 S96 | V88-Q92 HydrophobicContact CG1-CG 4.38Å; V88-Q92 WeakPolarHBondContact O-CB 3.32Å; V88-Q92 VanDerWaalsContact O-CG 3.25Å; V88-Q92 WeakPolarHBondContact O-CG 3.39Å; V88-Q92 PolarHBondContact O-N 3.21Å; T89-Q92 PolarHBondContact O-N 2.88Å; Q92-L95 PolarHBondContact O-N 2.76Å; Q92-S96 PolarHBondContact O-N 2.88Å; Q92-S96 PolarHBondContact O-OG 2.95Å |
| 93 | N | 92.6 | Very high | 93.9 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 176.5 | -67.8 | -15.5 | 0 | 0 | 0 | 111.5 | T89 Q90 L91 L95 S96 D97 | T89-N93 PolarHBondContact O-N 3.46Å; T89-N93 PolarHBondContact O-ND2 2.91Å; T89-N93 PolarHBondContact O-OD1 2.9Å; Q90-N93 PolarHBondContact O-N 3.39Å; L91-N93 VanDerWaalsContact C-N 3.35Å; N93-L95 VanDerWaalsContact C-N 3.26Å; N93-L95 PolarHBondContact O-N 2.89Å; N93-S96 WeakPolarHBondContact CA-OG 3.45Å; N93-S96 PolarHBondContact O-N 3.4Å; N93-S96 VanDerWaalsContact O-N 3.11Å; N93-S96 PolarHBondContact O-OG 3.29Å; N93-D97 VanDerWaalsContact O-CG 3.26Å; N93-D97 PolarHBondContact O-N 3.43Å |
| 94 | A | 95.8 | Very high | 94 | Very high | 57 Ų | 57 | 99.5 Ų | 99.5 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q90 L91 D97 M98 | Q90-A94 PolarHBondContact O-N 2.96Å; L91-A94 PolarHBondContact O-N 3.3Å; A94-D97 PolarHBondContact O-N 2.88Å; A94-M98 WeakPolarHBondContact O-CB 3.3Å; A94-M98 PolarHBondContact O-N 3.36Å |
| 95 | L | 95.7 | Very high | 94 | Very high | 105 Ų | 105 | 97.7 Ų | 97.7 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 174.2 | -178.3 | 65 | 0 | 0 | 0 | 111.8 | L91 Q92 N93 D97 M98 Q99 | L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 PolarHBondContact O-N 2.83Å; Q92-L95 PolarHBondContact O-N 2.76Å; N93-L95 VanDerWaalsContact C-N 3.26Å; N93-L95 PolarHBondContact O-N 2.89Å; L95-D97 VanDerWaalsContact C-N 3.35Å; L95-M98 PolarHBondContact O-N 2.97Å; L95-Q99 WeakPolarHBondContact O-CG 3.36Å; L95-Q99 PolarHBondContact O-N 3.26Å |
| 96 | S | 92.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 99.7 Ų | 99.7 | 34% | 0.343 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 175.8 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | Q92 N93 Q99 V100 | Q92-S96 PolarHBondContact O-N 2.88Å; Q92-S96 PolarHBondContact O-OG 2.95Å; N93-S96 WeakPolarHBondContact CA-OG 3.45Å; N93-S96 PolarHBondContact O-N 3.4Å; N93-S96 VanDerWaalsContact O-N 3.11Å; N93-S96 PolarHBondContact O-OG 3.29Å; S96-Q99 WeakPolarHBondContact O-CB 3.33Å; S96-Q99 PolarHBondContact O-N 2.93Å; S96-V100 WeakPolarHBondContact O-CG2 3.43Å; S96-V100 PolarHBondContact O-N 2.91Å |
| 97 | D | 94.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.3 | -66.9 | -15.7 | 0 | 0 | 0 | 110.9 | N93 A94 L95 Q99 V100 Y101 | N93-D97 VanDerWaalsContact O-CG 3.26Å; N93-D97 PolarHBondContact O-N 3.43Å; A94-D97 PolarHBondContact O-N 2.88Å; L95-D97 VanDerWaalsContact C-N 3.35Å; D97-Q99 VanDerWaalsContact C-N 3.29Å; D97-Q99 PolarHBondContact O-N 3.23Å; D97-V100 WeakPolarHBondContact O-CB 3.46Å; D97-V100 PolarHBondContact O-N 2.85Å; D97-V100 VanDerWaalsContact O-N 3.12Å; D97-Y101 HydrophobicContact CB-CE2 4.4Å; D97-Y101 WeakPolarHBondContact O-CD2 3.48Å; D97-Y101 PolarHBondContact O-N 3.38Å |
| 98 | M | 94.8 | Very high | 94.3 | Very high | 112 Ų | 112 | 99 Ų | 99 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.9 | -39.9 | 173.8 | -174.8 | 62.2 | 72.8 | 0 | 0 | 112.1 | A94 L95 V100 Y101 L102 | A94-M98 WeakPolarHBondContact O-CB 3.3Å; A94-M98 PolarHBondContact O-N 3.36Å; L95-M98 PolarHBondContact O-N 2.97Å; M98-V100 VanDerWaalsContact C-N 3.35Å; M98-Y101 PolarHBondContact O-N 3.09Å; M98-L102 WeakPolarHBondContact O-CG 3.35Å; M98-L102 PolarHBondContact O-N 3.42Å |
| 99 | Q | 95.1 | Very high | 94.3 | Very high | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 175 | -72.9 | 175.5 | 5.1 | 0 | 0 | 111.7 | L95 S96 D97 L102 F103 | L95-Q99 WeakPolarHBondContact O-CG 3.36Å; L95-Q99 PolarHBondContact O-N 3.26Å; S96-Q99 WeakPolarHBondContact O-CB 3.33Å; S96-Q99 PolarHBondContact O-N 2.93Å; D97-Q99 VanDerWaalsContact C-N 3.29Å; D97-Q99 PolarHBondContact O-N 3.23Å; Q99-L102 PolarHBondContact O-N 3.41Å; Q99-F103 WeakPolarHBondContact O-CD2 3.29Å; Q99-F103 PolarHBondContact O-N 3.23Å |
| 100 | V | 93 | Very high | 94.5 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | S96 D97 M98 L102 F103 Q104 | S96-V100 WeakPolarHBondContact O-CG2 3.43Å; S96-V100 PolarHBondContact O-N 2.91Å; D97-V100 WeakPolarHBondContact O-CB 3.46Å; D97-V100 PolarHBondContact O-N 2.85Å; D97-V100 VanDerWaalsContact O-N 3.12Å; M98-V100 VanDerWaalsContact C-N 3.35Å; V100-L102 PolarHBondContact O-N 2.76Å; V100-F103 PolarHBondContact O-N 2.95Å; V100-Q104 HydrophobicContact CG1-CG 4.49Å; V100-Q104 WeakPolarHBondContact O-CG 3.49Å; V100-Q104 PolarHBondContact O-N 3.38Å |
| 101 | Y | 94.4 | Very high | 94.6 | Very high | 141 Ų | 141 | 101.9 Ų | 101.9 | 55% | 0.553 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 176.1 | -69.7 | -56.6 | 0 | 0 | 0 | 112.6 | D97 M98 F103 Q104 E105 | D97-Y101 HydrophobicContact CB-CE2 4.4Å; D97-Y101 WeakPolarHBondContact O-CD2 3.48Å; D97-Y101 PolarHBondContact O-N 3.38Å; M98-Y101 PolarHBondContact O-N 3.09Å; Y101-F103 VanDerWaalsContact C-N 3.3Å; Y101-F103 PolarHBondContact O-N 3.29Å; Y101-Q104 PolarHBondContact O-N 3.49Å; Y101-E105 WeakPolarHBondContact O-CG 3.29Å; Y101-E105 PolarHBondContact O-N 2.98Å |
| 102 | L | 96.6 | Very high | 94.5 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 175.4 | -74.3 | 172 | 0 | 0 | 0 | 112.6 | M98 Q99 V100 R106 | M98-L102 WeakPolarHBondContact O-CG 3.35Å; M98-L102 PolarHBondContact O-N 3.42Å; Q99-L102 PolarHBondContact O-N 3.41Å; V100-L102 PolarHBondContact O-N 2.76Å; L102-R106 VanDerWaalsContact O-CG 3.29Å; L102-R106 WeakPolarHBondContact O-CG 3.26Å; L102-R106 PolarHBondContact O-N 3.5Å; L102-R106 VanDerWaalsContact O-N 3.15Å |
| 103 | F | 93.1 | Very high | 94.6 | Very high | 128 Ų | 128 | 103.4 Ų | 103.4 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.1 | -40.7 | 174.9 | -76.1 | -64.7 | 0 | 0 | 0 | 112.2 | Q99 V100 Y101 E105 R106 E107 | Q99-F103 WeakPolarHBondContact O-CD2 3.29Å; Q99-F103 PolarHBondContact O-N 3.23Å; V100-F103 PolarHBondContact O-N 2.95Å; Y101-F103 VanDerWaalsContact C-N 3.3Å; Y101-F103 PolarHBondContact O-N 3.29Å; F103-E105 PolarHBondContact O-N 3.45Å; F103-R106 PolarHBondContact O-N 2.94Å; F103-E107 PolarHBondContact O-N 3.13Å |
| 104 | Q | 94.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 101 Ų | 101 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.9 | -70.4 | 173 | 1.3 | 0 | 0 | 111.8 | V100 Y101 E107 Q108 | V100-Q104 HydrophobicContact CG1-CG 4.49Å; V100-Q104 WeakPolarHBondContact O-CG 3.49Å; V100-Q104 PolarHBondContact O-N 3.38Å; Y101-Q104 PolarHBondContact O-N 3.49Å; Q104-E107 PolarHBondContact O-N 3.39Å; Q104-Q108 WeakPolarHBondContact O-CG 3.39Å; Q104-Q108 PolarHBondContact O-N 3.01Å |
| 105 | E | 94.2 | Very high | 94.7 | Very high | 113 Ų | 113 | 103.4 Ų | 103.4 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 177.1 | -71.8 | -57.4 | 122.4 | 0 | 0 | 112.4 | Y101 F103 E107 Q108 S109 | Y101-E105 WeakPolarHBondContact O-CG 3.29Å; Y101-E105 PolarHBondContact O-N 2.98Å; F103-E105 PolarHBondContact O-N 3.45Å; E105-E107 VanDerWaalsContact C-N 3.32Å; E105-E107 PolarHBondContact O-N 3.39Å; E105-Q108 PolarHBondContact O-N 2.93Å; E105-Q108 PolarHBondContact OE1-NE2 2.94Å; E105-S109 WeakPolarHBondContact O-CB 3.39Å; E105-S109 PolarHBondContact O-N 3.32Å |
| 106 | R | 96 | Very high | 94.7 | Very high | 155 Ų | 155 | 103.1 Ų | 103.1 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 173.3 | -74.3 | 172 | -178.9 | 176.3 | 1 | 111.7 | L102 F103 S109 L110 | L102-R106 VanDerWaalsContact O-CG 3.29Å; L102-R106 WeakPolarHBondContact O-CG 3.26Å; L102-R106 PolarHBondContact O-N 3.5Å; L102-R106 VanDerWaalsContact O-N 3.15Å; F103-R106 PolarHBondContact O-N 2.94Å; R106-S109 PolarHBondContact O-N 3.19Å; R106-L110 WeakPolarHBondContact O-CG 3.28Å; R106-L110 PolarHBondContact O-N 2.95Å |
| 107 | E | 92.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 105.2 Ų | 105.2 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 177.3 | -163 | -169.1 | 160.9 | 0 | 0 | 111.7 | F103 Q104 E105 S109 L110 R111 | F103-E107 PolarHBondContact O-N 3.13Å; Q104-E107 PolarHBondContact O-N 3.39Å; E105-E107 VanDerWaalsContact C-N 3.32Å; E105-E107 PolarHBondContact O-N 3.39Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 3.38Å; E107-L110 PolarHBondContact O-N 3.47Å; E107-R111 WeakPolarHBondContact O-CG 3.47Å; E107-R111 PolarHBondContact O-N 2.89Å; E107-R111 IonicContact OE1-CZ 3.03Å; E107-R111 IonicContact OE1-NE 2.84Å; E107-R111 PolarHBondContact OE1-NE 2.87Å; E107-R111 IonicContact OE1-NH2 3.36Å; E107-R111 PolarHBondContact OE1-NH2 3.22Å; E107-R111 IonicContact OE2-NH2 3.78Å |
| 108 | Q | 94.5 | Very high | 94.9 | Very high | 88 Ų | 88 | 109.3 Ų | 109.3 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 174.1 | -72.3 | 178.4 | 51.6 | 0 | 0 | 111.6 | Q104 E105 L110 R111 L112 | Q104-Q108 WeakPolarHBondContact O-CG 3.39Å; Q104-Q108 PolarHBondContact O-N 3.01Å; E105-Q108 PolarHBondContact O-N 2.93Å; E105-Q108 PolarHBondContact OE1-NE2 2.94Å; Q108-L110 PolarHBondContact O-N 2.93Å; Q108-R111 WeakPolarHBondContact O-CB 3.37Å; Q108-R111 PolarHBondContact O-N 3.47Å; Q108-L112 WeakPolarHBondContact O-CG 3.21Å; Q108-L112 PolarHBondContact O-N 2.82Å |
| 109 | S | 95.9 | Very high | 95 | Very high | 53 Ų | 53 | 108.3 Ų | 108.3 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | E105 R106 E107 R111 L112 Y113 | E105-S109 WeakPolarHBondContact O-CB 3.39Å; E105-S109 PolarHBondContact O-N 3.32Å; R106-S109 PolarHBondContact O-N 3.19Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 3.38Å; S109-R111 VanDerWaalsContact C-N 3.34Å; S109-R111 PolarHBondContact O-N 2.8Å; S109-L112 PolarHBondContact O-N 3.34Å; S109-Y113 WeakPolarHBondContact O-CD2 3.36Å; S109-Y113 PolarHBondContact O-N 3.36Å; S109-Y113 WeakPolarHBondContact OG-CE2 3.36Å |
| 110 | L | 95.2 | Very high | 95 | Very high | 120 Ų | 120 | 109.3 Ų | 109.3 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 176 | -73.5 | 172.4 | 0 | 0 | 0 | 112.6 | R106 E107 Q108 Y113 A114 | R106-L110 WeakPolarHBondContact O-CG 3.28Å; R106-L110 PolarHBondContact O-N 2.95Å; E107-L110 PolarHBondContact O-N 3.47Å; Q108-L110 PolarHBondContact O-N 2.93Å; L110-Y113 PolarHBondContact O-N 2.99Å; L110-A114 PolarHBondContact O-N 3.49Å |
| 111 | R | 96.1 | Very high | 95.1 | Very high | 153 Ų | 153 | 110.4 Ų | 110.4 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | 175 | -70.9 | 174.1 | -172.4 | -176.5 | 2.5 | 111.4 | E107 Q108 S109 A114 E115 | E107-R111 WeakPolarHBondContact O-CG 3.47Å; E107-R111 PolarHBondContact O-N 2.89Å; E107-R111 IonicContact OE1-CZ 3.03Å; E107-R111 IonicContact OE1-NE 2.84Å; E107-R111 PolarHBondContact OE1-NE 2.87Å; E107-R111 IonicContact OE1-NH2 3.36Å; E107-R111 PolarHBondContact OE1-NH2 3.22Å; E107-R111 IonicContact OE2-NH2 3.78Å; Q108-R111 WeakPolarHBondContact O-CB 3.37Å; Q108-R111 PolarHBondContact O-N 3.47Å; S109-R111 VanDerWaalsContact C-N 3.34Å; S109-R111 PolarHBondContact O-N 2.8Å; R111-A114 PolarHBondContact O-N 3.46Å; R111-E115 PolarHBondContact O-N 3.06Å |
| 112 | L | 95.3 | Very high | 95.1 | Very high | 115 Ų | 115 | 110.9 Ų | 110.9 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 177 | -70.7 | 173.5 | 0 | 0 | 0 | 112.4 | Q108 S109 E115 N116 | Q108-L112 WeakPolarHBondContact O-CG 3.21Å; Q108-L112 PolarHBondContact O-N 2.82Å; S109-L112 PolarHBondContact O-N 3.34Å; L112-E115 PolarHBondContact O-N 3.44Å; L112-N116 WeakPolarHBondContact O-CB 3.28Å; L112-N116 PolarHBondContact O-N 3.38Å |
| 113 | Y | 95.9 | Very high | 95 | Very high | 152 Ų | 152 | 110.8 Ų | 110.8 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | 173.9 | -79 | -62.6 | 0 | 0 | 0 | 111.9 | S109 L110 E115 N116 D117 | S109-Y113 WeakPolarHBondContact O-CD2 3.36Å; S109-Y113 PolarHBondContact O-N 3.36Å; S109-Y113 WeakPolarHBondContact OG-CE2 3.36Å; L110-Y113 PolarHBondContact O-N 2.99Å; Y113-E115 VanDerWaalsContact C-N 3.31Å; Y113-E115 PolarHBondContact O-N 2.83Å; Y113-N116 WeakPolarHBondContact O-CB 3.47Å; Y113-N116 PolarHBondContact O-N 3.34Å; Y113-D117 PolarHBondContact O-N 2.88Å |
| 114 | A | 94.3 | Very high | 95 | Very high | 46 Ų | 46 | 108.8 Ų | 108.8 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L110 R111 R118 | L110-A114 PolarHBondContact O-N 3.49Å; R111-A114 PolarHBondContact O-N 3.46Å; A114-R118 WeakPolarHBondContact O-CG 3.42Å; A114-R118 PolarHBondContact O-N 2.88Å; A114-R118 VanDerWaalsContact O-N 3.08Å |
| 115 | E | 95.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 109.2 Ų | 109.2 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 173 | -174.1 | 173.7 | -172.4 | 0 | 0 | 111.9 | R111 L112 Y113 D117 R118 L119 | R111-E115 PolarHBondContact O-N 3.06Å; L112-E115 PolarHBondContact O-N 3.44Å; Y113-E115 VanDerWaalsContact C-N 3.31Å; Y113-E115 PolarHBondContact O-N 2.83Å; E115-D117 VanDerWaalsContact C-N 3.32Å; E115-D117 PolarHBondContact O-N 3.16Å; E115-R118 WeakPolarHBondContact O-CB 3.38Å; E115-R118 PolarHBondContact O-N 3.21Å; E115-L119 HydrophobicContact CG-CD1 4.39Å; E115-L119 WeakPolarHBondContact O-CG 3.35Å; E115-L119 PolarHBondContact O-N 2.95Å |
| 116 | N | 95.9 | Very high | 95.1 | Very high | 98 Ų | 98 | 107.4 Ų | 107.4 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 175.6 | -161.1 | -72.4 | 0 | 0 | 0 | 111.4 | L112 Y113 R118 L119 K120 | L112-N116 WeakPolarHBondContact O-CB 3.28Å; L112-N116 PolarHBondContact O-N 3.38Å; Y113-N116 WeakPolarHBondContact O-CB 3.47Å; Y113-N116 PolarHBondContact O-N 3.34Å; N116-R118 PolarHBondContact O-N 3.17Å; N116-L119 PolarHBondContact O-N 3.16Å; N116-K120 WeakPolarHBondContact O-CB 3.37Å; N116-K120 PolarHBondContact O-N 2.99Å |
| 117 | D | 95.8 | Very high | 95 | Very high | 94 Ų | 94 | 106.3 Ų | 106.3 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.2 | -73.4 | -24.3 | 0 | 0 | 0 | 111.9 | Y113 E115 L119 K120 I121 | Y113-D117 PolarHBondContact O-N 2.88Å; E115-D117 VanDerWaalsContact C-N 3.32Å; E115-D117 PolarHBondContact O-N 3.16Å; D117-L119 PolarHBondContact O-N 3.36Å; D117-K120 PolarHBondContact O-N 2.86Å; D117-I121 VanDerWaalsContact O-CG1 3.28Å; D117-I121 WeakPolarHBondContact O-CG1 3.3Å; D117-I121 PolarHBondContact O-N 3.42Å |
| 118 | R | 95.2 | Very high | 95 | Very high | 173 Ų | 173 | 108.6 Ų | 108.6 | 65% | 0.653 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 174.2 | -75.3 | 174.5 | 177.6 | 167.9 | 0.5 | 112.2 | A114 E115 N116 K120 I121 R122 | A114-R118 WeakPolarHBondContact O-CG 3.42Å; A114-R118 PolarHBondContact O-N 2.88Å; A114-R118 VanDerWaalsContact O-N 3.08Å; E115-R118 WeakPolarHBondContact O-CB 3.38Å; E115-R118 PolarHBondContact O-N 3.21Å; N116-R118 PolarHBondContact O-N 3.17Å; R118-K120 VanDerWaalsContact C-N 3.34Å; R118-I121 PolarHBondContact O-N 3.42Å; R118-R122 WeakPolarHBondContact O-CG 3.38Å; R118-R122 PolarHBondContact O-N 2.88Å |
| 119 | L | 95.3 | Very high | 95 | Very high | 91 Ų | 91 | 109.8 Ų | 109.8 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.9 | -70.1 | 174.9 | 0 | 0 | 0 | 111.3 | E115 N116 D117 I121 R122 E123 | E115-L119 HydrophobicContact CG-CD1 4.39Å; E115-L119 WeakPolarHBondContact O-CG 3.35Å; E115-L119 PolarHBondContact O-N 2.95Å; N116-L119 PolarHBondContact O-N 3.16Å; D117-L119 PolarHBondContact O-N 3.36Å; L119-I121 PolarHBondContact O-N 3.45Å; L119-R122 PolarHBondContact O-N 2.92Å; L119-E123 PolarHBondContact O-N 3.39Å |
| 120 | K | 96.4 | Very high | 94.8 | Very high | 119 Ų | 119 | 112 Ų | 112 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 176.9 | -164.9 | 172.1 | -172.8 | 174 | 0 | 112.5 | N116 D117 R118 E123 L124 | N116-K120 WeakPolarHBondContact O-CB 3.37Å; N116-K120 PolarHBondContact O-N 2.99Å; D117-K120 PolarHBondContact O-N 2.86Å; R118-K120 VanDerWaalsContact C-N 3.34Å; K120-E123 PolarHBondContact O-N 2.62Å; K120-L124 WeakPolarHBondContact O-CG 3.26Å; K120-L124 PolarHBondContact O-N 3.36Å |
| 121 | I | 93.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 112.3 Ų | 112.3 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 172.7 | -68.4 | 166.1 | 0 | 0 | 0 | 110.3 | D117 R118 L119 E123 L124 E125 | D117-I121 VanDerWaalsContact O-CG1 3.28Å; D117-I121 WeakPolarHBondContact O-CG1 3.3Å; D117-I121 PolarHBondContact O-N 3.42Å; R118-I121 PolarHBondContact O-N 3.42Å; L119-I121 PolarHBondContact O-N 3.45Å; I121-E123 VanDerWaalsContact C-N 3.33Å; I121-E123 PolarHBondContact O-N 2.87Å; I121-L124 PolarHBondContact O-N 2.95Å; I121-L124 VanDerWaalsContact O-N 3.16Å; I121-E125 WeakPolarHBondContact O-CG 3.47Å; I121-E125 PolarHBondContact O-N 2.91Å |
| 122 | R | 94.8 | Very high | 94.2 | Very high | 151 Ų | 151 | 110.8 Ų | 110.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 176 | -73.2 | 179.6 | -175.6 | 167.3 | 1.7 | 112.1 | R118 L119 L124 E125 D126 | R118-R122 WeakPolarHBondContact O-CG 3.38Å; R118-R122 PolarHBondContact O-N 2.88Å; L119-R122 PolarHBondContact O-N 2.92Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 2.87Å; R122-E125 WeakPolarHBondContact O-CB 3.36Å; R122-E125 PolarHBondContact O-N 3.45Å; R122-E125 VanDerWaalsContact O-N 3.16Å; R122-D126 WeakPolarHBondContact O-CB 3.49Å; R122-D126 PolarHBondContact O-N 3.43Å |
| 123 | E | 94.7 | Very high | 93.8 | Very high | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 176.5 | -171.1 | -165.9 | 166 | 0 | 0 | 111.6 | L119 K120 I121 D126 R127 | L119-E123 PolarHBondContact O-N 3.39Å; K120-E123 PolarHBondContact O-N 2.62Å; I121-E123 VanDerWaalsContact C-N 3.33Å; I121-E123 PolarHBondContact O-N 2.87Å; E123-D126 PolarHBondContact O-N 3.15Å; E123-R127 WeakPolarHBondContact O-CB 3.28Å; E123-R127 VanDerWaalsContact O-CG 3.28Å; E123-R127 WeakPolarHBondContact O-CG 3.33Å; E123-R127 PolarHBondContact O-N 2.83Å; E123-R127 IonicContact OE1-CZ 3.21Å; E123-R127 IonicContact OE1-NE 2.86Å; E123-R127 PolarHBondContact OE1-NE 3.23Å; E123-R127 IonicContact OE1-NH1 2.76Å; E123-R127 IonicContact OE1-NH2 3.77Å; E123-R127 PolarHBondContact OE1-NH2 3.47Å |
| 124 | L | 94.3 | Very high | 93.3 | Very high | 87 Ų | 87 | 108.6 Ų | 108.6 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 176.1 | -71 | 175.8 | 0 | 0 | 0 | 112.4 | K120 I121 R122 K128 | K120-L124 WeakPolarHBondContact O-CG 3.26Å; K120-L124 PolarHBondContact O-N 3.36Å; I121-L124 PolarHBondContact O-N 2.95Å; I121-L124 VanDerWaalsContact O-N 3.16Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 2.87Å; L124-K128 VanDerWaalsContact O-CG 3.32Å; L124-K128 WeakPolarHBondContact O-CG 3.25Å; L124-K128 PolarHBondContact O-N 3.34Å |
| 125 | E | 94.2 | Very high | 92.9 | Very high | 94 Ų | 94 | 110 Ų | 110 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.7 | -71.5 | 174.8 | -177.2 | 0 | 0 | 111.6 | I121 R122 K128 K129 | I121-E125 WeakPolarHBondContact O-CG 3.47Å; I121-E125 PolarHBondContact O-N 2.91Å; R122-E125 WeakPolarHBondContact O-CB 3.36Å; R122-E125 PolarHBondContact O-N 3.45Å; R122-E125 VanDerWaalsContact O-N 3.16Å; E125-K128 WeakPolarHBondContact O-CB 3.47Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-K128 VanDerWaalsContact O-N 3.17Å; E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.28Å |
| 126 | D | 94.4 | Very high | 92.2 | Very high | 74 Ų | 74 | 110.6 Ų | 110.6 | 40% | 0.396 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 178.4 | -68 | -21.4 | 0 | 0 | 0 | 111.3 | R122 E123 K128 K129 I130 | R122-D126 WeakPolarHBondContact O-CB 3.49Å; R122-D126 PolarHBondContact O-N 3.43Å; E123-D126 PolarHBondContact O-N 3.15Å; D126-K128 VanDerWaalsContact C-N 3.32Å; D126-K128 PolarHBondContact O-N 3.16Å; D126-K129 PolarHBondContact O-N 2.89Å; D126-K129 IonicContact OD1-NZ 2.62Å; D126-K129 PolarHBondContact OD1-NZ 2.91Å; D126-I130 VanDerWaalsContact O-CG1 3.28Å; D126-I130 WeakPolarHBondContact O-CG1 3.3Å; D126-I130 PolarHBondContact O-N 3.43Å |
| 127 | R | 94.3 | Very high | 91.4 | Very high | 132 Ų | 132 | 111.2 Ų | 111.2 | 50% | 0.498 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 169.9 | -78.4 | 177.4 | 177.7 | 176.6 | 2.2 | 112.1 | E123 I130 Q131 | E123-R127 WeakPolarHBondContact O-CB 3.28Å; E123-R127 VanDerWaalsContact O-CG 3.28Å; E123-R127 WeakPolarHBondContact O-CG 3.33Å; E123-R127 PolarHBondContact O-N 2.83Å; E123-R127 IonicContact OE1-CZ 3.21Å; E123-R127 IonicContact OE1-NE 2.86Å; E123-R127 PolarHBondContact OE1-NE 3.23Å; E123-R127 IonicContact OE1-NH1 2.76Å; E123-R127 IonicContact OE1-NH2 3.77Å; E123-R127 PolarHBondContact OE1-NH2 3.47Å; R127-I130 PolarHBondContact O-N 2.93Å; R127-Q131 WeakPolarHBondContact O-CB 3.43Å; R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.39Å; R127-Q131 PolarHBondContact O-N 3Å |
| 128 | K | 93.8 | Very high | 89.8 | Confident | 144 Ų | 144 | 108.2 Ų | 108.2 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.9 | -41.9 | 175.4 | -73.6 | 171.3 | -177.5 | 176 | 0 | 111.8 | L124 E125 D126 Q131 H132 | L124-K128 VanDerWaalsContact O-CG 3.32Å; L124-K128 WeakPolarHBondContact O-CG 3.25Å; L124-K128 PolarHBondContact O-N 3.34Å; E125-K128 WeakPolarHBondContact O-CB 3.47Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-K128 VanDerWaalsContact O-N 3.17Å; D126-K128 VanDerWaalsContact C-N 3.32Å; D126-K128 PolarHBondContact O-N 3.16Å; K128-Q131 PolarHBondContact O-N 2.93Å; K128-H132 WeakPolarHBondContact O-CB 3.47Å; K128-H132 PolarHBondContact O-N 3.49Å |
| 129 | K | 94.1 | Very high | 88.2 | Confident | 114 Ų | 114 | 106.1 Ų | 106.1 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 175.1 | -69 | 170.8 | -161 | 156.7 | 0 | 111 | E125 D126 H132 L133 | E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.28Å; D126-K129 PolarHBondContact O-N 2.89Å; D126-K129 IonicContact OD1-NZ 2.62Å; D126-K129 PolarHBondContact OD1-NZ 2.91Å; K129-H132 PolarHBondContact O-N 3.02Å; K129-L133 VanDerWaalsContact O-CG 3.3Å; K129-L133 WeakPolarHBondContact O-CG 3.18Å; K129-L133 PolarHBondContact O-N 3.41Å |
| 130 | I | 91.4 | Very high | 86.2 | Confident | 98 Ų | 98 | 107.9 Ų | 107.9 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 176.8 | -67.7 | 165.1 | 0 | 0 | 0 | 110.5 | D126 R127 H132 L133 L134 | D126-I130 VanDerWaalsContact O-CG1 3.28Å; D126-I130 WeakPolarHBondContact O-CG1 3.3Å; D126-I130 PolarHBondContact O-N 3.43Å; R127-I130 PolarHBondContact O-N 2.93Å; I130-H132 VanDerWaalsContact C-N 3.31Å; I130-H132 PolarHBondContact O-N 2.95Å; I130-L133 PolarHBondContact O-N 2.68Å; I130-L134 HydrophobicContact CG2-CD1 3.89Å; I130-L134 HydrophobicContact CG2-CG 4.3Å; I130-L134 WeakPolarHBondContact O-CB 3.41Å; I130-L134 WeakPolarHBondContact O-CG 3.43Å; I130-L134 PolarHBondContact O-N 2.92Å |
| 131 | Q | 88.5 | Confident | 84.1 | Confident | 127 Ų | 127 | 107.6 Ų | 107.6 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.8 | -40.3 | 177.1 | -75.4 | 175.2 | 2.4 | 0 | 0 | 112.4 | R127 K128 L134 A135 | R127-Q131 WeakPolarHBondContact O-CB 3.43Å; R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.39Å; R127-Q131 PolarHBondContact O-N 3Å; K128-Q131 PolarHBondContact O-N 2.93Å; Q131-L134 PolarHBondContact O-N 3.21Å; Q131-A135 WeakPolarHBondContact O-CB 3.49Å; Q131-A135 PolarHBondContact O-N 3.47Å |
| 132 | H | 89.4 | Confident | 82.2 | Confident | 121 Ų | 121 | 104.6 Ų | 104.6 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.4 | -43 | 175.8 | -174.8 | 61.8 | 0 | 0 | 0 | 111.8 | K128 K129 I130 A135 L136 | K128-H132 WeakPolarHBondContact O-CB 3.47Å; K128-H132 PolarHBondContact O-N 3.49Å; K129-H132 PolarHBondContact O-N 3.02Å; I130-H132 VanDerWaalsContact C-N 3.31Å; I130-H132 PolarHBondContact O-N 2.95Å; H132-A135 PolarHBondContact O-N 2.85Å; H132-L136 WeakPolarHBondContact NE2-CD1 3.29Å; H132-L136 WeakPolarHBondContact O-CG 3.34Å; H132-L136 PolarHBondContact O-N 3.22Å |
| 133 | L | 88.8 | Confident | 80.3 | Confident | 107 Ų | 107 | 105.4 Ų | 105.4 | 56% | 0.56 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62 | -46 | 174.3 | -71.2 | 169 | 0 | 0 | 0 | 111.5 | K129 I130 A135 L136 V137 | K129-L133 VanDerWaalsContact O-CG 3.3Å; K129-L133 WeakPolarHBondContact O-CG 3.18Å; K129-L133 PolarHBondContact O-N 3.41Å; I130-L133 PolarHBondContact O-N 2.68Å; L133-A135 VanDerWaalsContact C-N 3.3Å; L133-A135 PolarHBondContact O-N 3.4Å; L133-L136 PolarHBondContact O-N 2.86Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.41Å; L133-V137 PolarHBondContact O-N 3.19Å |
| 134 | L | 84.3 | Confident | 78.3 | Confident | 114 Ų | 114 | 107.6 Ų | 107.6 | 60% | 0.597 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.1 | -38.3 | 175.1 | -71 | 171.9 | 0 | 0 | 0 | 112.1 | I130 Q131 V137 G138 | I130-L134 HydrophobicContact CG2-CD1 3.89Å; I130-L134 HydrophobicContact CG2-CG 4.3Å; I130-L134 WeakPolarHBondContact O-CB 3.41Å; I130-L134 WeakPolarHBondContact O-CG 3.43Å; I130-L134 PolarHBondContact O-N 2.92Å; Q131-L134 PolarHBondContact O-N 3.21Å; L134-V137 PolarHBondContact O-N 3.39Å; L134-G138 PolarHBondContact O-N 2.87Å; L134-G138 VanDerWaalsContact O-N 3.09Å |
| 135 | A | 85.8 | Confident | 76.1 | Confident | 75 Ų | 75 | 107.4 Ų | 107.4 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69 | -34.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q131 H132 L133 G138 | Q131-A135 WeakPolarHBondContact O-CB 3.49Å; Q131-A135 PolarHBondContact O-N 3.47Å; H132-A135 PolarHBondContact O-N 2.85Å; L133-A135 VanDerWaalsContact C-N 3.3Å; L133-A135 PolarHBondContact O-N 3.4Å; A135-G138 PolarHBondContact O-N 3.37Å |
| 136 | L | 81.6 | Confident | 73.9 | Confident | 121 Ų | 121 | 112 Ų | 112 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.3 | -34 | 174 | -76.8 | 166.9 | 0 | 0 | 0 | 112.5 | H132 L133 | H132-L136 WeakPolarHBondContact NE2-CD1 3.29Å; H132-L136 WeakPolarHBondContact O-CG 3.34Å; H132-L136 PolarHBondContact O-N 3.22Å; L133-L136 PolarHBondContact O-N 2.86Å |
| 137 | V | 78 | Confident | 71.2 | Confident | 112 Ų | 112 | 117.1 Ų | 117.1 | 68% | 0.679 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.4 | -20.6 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L133 L134 | L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.41Å; L133-V137 PolarHBondContact O-N 3.19Å; L134-V137 PolarHBondContact O-N 3.39Å |
| 138 | G | 62.6 | Low | 68.9 | Low | 30 Ų | 30 | 118.7 Ų | 118.7 | 31% | 0.309 | 63% | 0.633 | S | S | . | * | trans | 69.1 | 168.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L134 A135 D140 | L134-G138 PolarHBondContact O-N 2.87Å; L134-G138 VanDerWaalsContact O-N 3.09Å; A135-G138 PolarHBondContact O-N 3.37Å; G138-D140 PolarHBondContact O-N 3.49Å | ||
| 139 | P | 61.2 | Low | 66.5 | Low | 130 Ų | 130 | 121 Ų | 121 | 84% | 0.844 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -60.3 | 125.1 | 164.1 | 26.9 | -30.1 | 0 | 0 | 0 | 107.2 | A141 | P139-A141 PolarHBondContact O-N 3.23Š|
| 140 | D | 53.4 | Low | 64.3 | Low | 128 Ų | 128 | 124.4 Ų | 124.4 | 68% | 0.684 | 66% | 0.663 | S | S | * | * | trans | -45.6 | 108.5 | -178.6 | -146.5 | -0.6 | 0 | 0 | 0 | 109.3 | G138 G142 | G138-D140 PolarHBondContact O-N 3.49Å; D140-G142 PolarHBondContact O-N 3.01Å | ||
| 141 | A | 52.2 | Low | 62.6 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 93% | 0.934 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -75.5 | 66.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107 | P139 | P139-A141 PolarHBondContact O-N 3.23Š|
| 142 | G | 55.5 | Low | 60.5 | Low | 33 Ų | 33 | 124 Ų | 124 | 34% | 0.34 | 68% | 0.678 | S | S | . | * | trans | 146.6 | 74.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | D140 I144 | D140-G142 PolarHBondContact O-N 3.01Å; G142-I144 PolarHBondContact O-N 2.99Å | ||
| 143 | E | 53.4 | Low | 58.3 | Low | 169 Ų | 169 | 126.7 Ų | 126.7 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -50.7 | 94.1 | 147.5 | -71.4 | 177.6 | 165.9 | 0 | 0 | 107.7 | T145 | E143-T145 PolarHBondContact O-N 3.44Å; E143-T145 PolarHBondContact O-OG1 3.25Å | ||
| 144 | I | 52.5 | Low | 56.5 | Low | 136 Ų | 136 | 131.2 Ų | 131.2 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | -78.8 | 75.6 | 160 | -54.4 | 178.7 | 0 | 0 | 0 | 105 | G142 Y146 | G142-I144 PolarHBondContact O-N 2.99Å; I144-Y146 HydrophobicContact CG2-CD2 3.47Å; I144-Y146 VanDerWaalsContact CG2-CD2 3.47Å; I144-Y146 HydrophobicContact CG2-CE2 3.58Å; I144-Y146 PolarHBondContact O-N 2.96Å | ||
| 145 | T | 48.6 | Very low | 54.5 | Low | 84 Ų | 84 | 131.6 Ų | 131.6 | 52% | 0.515 | 71% | 0.713 | S | S | . | * | trans | -64.1 | 93.3 | 158.2 | 5.8 | 0 | 0 | 0 | 0 | 105.9 | E143 F147 | E143-T145 PolarHBondContact O-N 3.44Å; E143-T145 PolarHBondContact O-OG1 3.25Å; T145-F147 WeakPolarHBondContact O-CD2 3.39Å; T145-F147 PolarHBondContact O-N 3.41Å | ||
| 146 | Y | 48.3 | Very low | 52.6 | Low | 191 Ų | 191 | 132.4 Ų | 132.4 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | -65.2 | 92.8 | 158.2 | -97.3 | -86.6 | 0 | 0 | 0 | 106.8 | I144 H148 | I144-Y146 HydrophobicContact CG2-CD2 3.47Å; I144-Y146 VanDerWaalsContact CG2-CD2 3.47Å; I144-Y146 HydrophobicContact CG2-CE2 3.58Å; I144-Y146 PolarHBondContact O-N 2.96Å; Y146-H148 VanDerWaalsContact C-N 3.28Å; Y146-H148 PolarHBondContact O-N 3.36Å | ||
| 147 | F | 38.5 | Very low | 51 | Low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | -61 | 91.4 | 164.2 | -74.3 | -88.4 | 0 | 0 | 0 | 108.5 | T145 | T145-F147 WeakPolarHBondContact O-CD2 3.39Å; T145-F147 PolarHBondContact O-N 3.41Å | ||
| 148 | H | 45.1 | Very low | 49.2 | Very low | 164 Ų | 164 | 134 Ų | 134 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -86.8 | 121 | 149.7 | -80.8 | -69 | 0 | 0 | 0 | 107.6 | Y146 | Y146-H148 VanDerWaalsContact C-N 3.28Å; Y146-H148 PolarHBondContact O-N 3.36Å | ||
| 149 | Q | 42.8 | Very low | 48.3 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -49.9 | 135 | 175.8 | -66.6 | 170 | -7 | 0 | 0 | 111 | ||||
| 150 | E | 47.8 | Very low | 47.2 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -70.6 | -178.7 | -176.8 | -50.5 | -174.9 | 139 | 0 | 0 | 114 | ||||
| 151 | P | 57 | Low | 46.7 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | -128 | 179.4 | -84.3 | 38.1 | -18.6 | 0 | 0 | 0 | 112.2 | |||||
| 152 | P | 44.5 | Very low | 46.5 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | -155.7 | 125 | 104.8 | 37.2 | -17.4 | 0 | 0 | 0 | 115.6 | |||||
| 153 | H | 42.6 | Very low | 45.5 | Very low | 176 Ų | 176 | 154 Ų | 154 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | 176.5 | 125.8 | 112.3 | -102.7 | 70 | 0 | 0 | 0 | 111.5 | V155 | H153-V155 PolarHBondContact O-N 3.01Š| |||
| 154 | K | 50.9 | Low | 44.7 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | -59.6 | 126.8 | 169.4 | -67.1 | 168.5 | 177.4 | 175.4 | 0 | 109.6 | ||||
| 155 | V | 41.7 | Very low | 43.5 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | -125.7 | 96.5 | 144.8 | -173.6 | 0 | 0 | 0 | 0 | 106.8 | H153 I157 | H153-V155 PolarHBondContact O-N 3.01Å; V155-I157 HydrophobicContact CG1-CG1 4.06Å; V155-I157 PolarHBondContact O-N 3.33Å | ||
| 156 | A | 46.7 | Very low | 42.7 | Very low | 92 Ų | 92 | 155.3 Ų | 155.3 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -65.7 | 115.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 157 | I | 47 | Very low | 42 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -103.1 | 110 | 160.1 | -58.2 | -179.2 | 0 | 0 | 0 | 106.7 | V155 Q159 | V155-I157 HydrophobicContact CG1-CG1 4.06Å; V155-I157 PolarHBondContact O-N 3.33Å; I157-Q159 PolarHBondContact O-N 2.95Å | ||
| 158 | T | 41 | Very low | 41.7 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -57.7 | 122.7 | 178.9 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | R160 | T158-R160 PolarHBondContact O-N 3.2Š| ||
| 159 | Q | 44.3 | Very low | 41.2 | Very low | 196 Ų | 196 | 149 Ų | 149 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 105.1 | 162.8 | -159.3 | 176.2 | 27.8 | 0 | 0 | 107.8 | I157 | I157-Q159 PolarHBondContact O-N 2.95Š| ||
| 160 | R | 37.2 | Very low | 40.9 | Very low | 232 Ų | 232 | 147.2 Ų | 147.2 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | -85.4 | 109.8 | 167.2 | -87.6 | -173.5 | 176.9 | 178 | -0.7 | 108.5 | T158 | T158-R160 PolarHBondContact O-N 3.2Š| ||
| 161 | Q | 43.9 | Very low | 40.4 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -73.1 | 155.2 | 142 | -76.7 | -155.8 | -11.4 | 0 | 0 | 109.2 | ||||
| 162 | P | 47.1 | Very low | 39.5 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -125.8 | 131.2 | 121.9 | 30.9 | -21.7 | 0 | 0 | 0 | 112 | |||||
| 163 | E | 35.4 | Very low | 39.3 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -75.5 | 166.5 | 160.1 | -61.6 | -179.4 | 139.5 | 0 | 0 | 111.4 | ||||
| 164 | S | 34.8 | Very low | 39.5 | Very low | 100 Ų | 100 | 147.7 Ų | 147.7 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 85.2 | 120.8 | 153.6 | 80.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 165 | M | 29 | Very low | 38.5 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | 175.2 | 123.5 | 96.7 | -84.1 | -57.5 | -126.2 | 0 | 0 | 111.1 | |||||
| 166 | F | 30.4 | Very low | 38.3 | Very low | 168 Ų | 168 | 145 Ų | 145 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | 66.6 | 116.2 | 149.8 | -67.8 | -69.6 | 0 | 0 | 0 | 122.8 | ||||
| 167 | D | 34.8 | Very low | 37.5 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -6.2 | 135.1 | 140.6 | -62.3 | -52.3 | 0 | 0 | 0 | 118.8 | ||||
| 168 | D | 31.9 | Very low | 36.9 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | -172.5 | 120 | 107.9 | -104.2 | -14.1 | 0 | 0 | 0 | 113.5 | |||||
| 169 | N | 34.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | 77.8 | 115.9 | 130.9 | -67.8 | -35.8 | 0 | 0 | 0 | 123.3 | ||||
| 170 | L | 35.7 | Very low | 36.3 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 104 | 76.9 | 140.2 | -61.2 | 159.2 | 0 | 0 | 0 | 118.2 | ||||
| 171 | S | 37 | Very low | 35.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -90.3 | 119 | 142.5 | -68.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 172 | L | 39.6 | Very low | 35.7 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | trans | -92.6 | 112.2 | 155.9 | -75.1 | 173.5 | 0 | 0 | 0 | 108.8 | ||||
| 173 | R | 39.9 | Very low | 35 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -63.9 | 167.7 | 161.9 | -128.6 | -161.7 | 172.1 | 155.2 | 2.7 | 109.8 | ||||
| 174 | P | 46.5 | Very low | 35.4 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -142.1 | 176.1 | 52.8 | 37.1 | -13.1 | 0 | 0 | 0 | 111.8 | |||||
| 175 | T | 29.6 | Very low | 35.1 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | cis | -167.5 | 151.4 | 40 | -47 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 176 | K | 37.3 | Very low | 35.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 160.8 | 176.3 | -55.7 | -176.9 | 174.4 | 179.1 | 0 | 111.7 | ||||
| 177 | L | 31.7 | Very low | 35.8 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | -167 | 132.2 | 78.3 | -79.5 | 165.9 | 0 | 0 | 0 | 111.9 | |||||
| 178 | R | 32.6 | Very low | 36.1 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -102.5 | 150.3 | 154.2 | -160.2 | -173 | 171.3 | 175.2 | -7.7 | 105.9 | A180 | R178-A180 HydrophobicContact CG-CB 4.32Š| ||
| 179 | P | 38.5 | Very low | 36.3 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -139.8 | 133.5 | 95.8 | 27.9 | -9.3 | 0 | 0 | 0 | 110.6 | |||||
| 180 | A | 34 | Very low | 36.8 | Very low | 64 Ų | 64 | 145.2 Ų | 145.2 | 53% | 0.529 | 78% | 0.784 | S | S | . | * | 46.2 | 100.2 | 68.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R178 | R178-A180 HydrophobicContact CG-CB 4.32Š| |||
| 181 | A | 28.6 | Very low | 37 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | -163.6 | 127.8 | 128.8 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 182 | A | 41.2 | Very low | 36.9 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -74.3 | 148.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 183 | T | 31.2 | Very low | 37 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -153.8 | 131.7 | 141.3 | 5.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 184 | K | 44.1 | Very low | 37.4 | Very low | 201 Ų | 201 | 136.4 Ų | 136.4 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -58 | 147.1 | 169.7 | -64.6 | 170.2 | 175 | 177.2 | 0 | 110 | ||||
| 185 | E | 29.9 | Very low | 37.6 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | trans | -155.5 | 144.8 | 141.1 | -116.4 | 175.1 | -149 | 0 | 0 | 111.3 | ||||
| 186 | A | 38.8 | Very low | 38.9 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -100.4 | 148.1 | -170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 187 | N | 34.7 | Very low | 40 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 71.9 | 113.3 | 139.9 | -153.7 | 12.9 | 0 | 0 | 0 | 118.8 | ||||
| 188 | R | 40.2 | Very low | 41.6 | Very low | 200 Ų | 200 | 124.8 Ų | 124.8 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | 171.2 | 137.7 | 108.4 | -97.1 | 174.4 | 167.8 | 178.2 | -1.3 | 114.2 | |||||
| 189 | K | 35.7 | Very low | 43.3 | Very low | 165 Ų | 165 | 121 Ų | 121 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | 77 | 98.7 | 142.5 | -71.5 | 176.3 | 176.5 | -177.3 | 0 | 119.5 | ||||
| 190 | T | 45.9 | Very low | 44.9 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 82% | 0.816 | 69% | 0.693 | S | S | * | * | 9.4 | 109.8 | 121.1 | 45.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 191 | K | 39.3 | Very low | 47 | Very low | 199 Ų | 199 | 125 Ų | 125 | 87% | 0.865 | 69% | 0.689 | S | S | * | * | trans | -172.9 | 139 | 132.2 | -102.1 | 165.6 | -177.6 | -174.4 | 0 | 110.7 | ||||
| 192 | S | 36 | Very low | 49.4 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | trans | 59.7 | 79.8 | 174.6 | 65.6 | 0 | 0 | 0 | 0 | 118.5 | G194 | S192-G194 PolarHBondContact O-N 3.36Š| ||
| 193 | A | 41.6 | Very low | 51.5 | Low | 99 Ų | 99 | 123.7 Ų | 123.7 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 3.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 194 | G | 47.5 | Very low | 54.2 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -30.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S192 | S192-G194 PolarHBondContact O-N 3.36Š|
| 195 | D | 51.7 | Low | 56.2 | Low | 109 Ų | 109 | 117.2 Ų | 117.2 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -95.5 | -24.1 | -164 | -139.5 | 28 | 0 | 0 | 0 | 113.4 | K199 | D195-K199 PolarHBondContact O-N 3.2Å |
| 196 | G | 57.1 | Low | 59 | Low | 32 Ų | 32 | 111.8 Ų | 111.8 | 33% | 0.33 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.1 | -36.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K199 Y200 | G196-K199 PolarHBondContact O-N 3.3Å; G196-Y200 WeakPolarHBondContact O-CD2 3.13Å; G196-Y200 PolarHBondContact O-N 3.4Å |
| 197 | V | 59.9 | Low | 61.6 | Low | 76 Ų | 76 | 111.9 Ų | 111.9 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.5 | -40.9 | -178.9 | 177 | 0 | 0 | 0 | 0 | 111.1 | Y200 K201 | V197-Y200 PolarHBondContact O-N 2.91Å; V197-K201 HydrophobicContact CG1-CD 4.4Å; V197-K201 VanDerWaalsContact O-CG 3.27Å; V197-K201 WeakPolarHBondContact O-CG 3.36Å; V197-K201 PolarHBondContact O-N 3.42Å |
| 198 | E | 64.6 | Low | 64.4 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 41% | 0.411 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68 | -36.2 | 174.4 | -70.6 | -56 | 135.2 | 0 | 0 | 112.3 | K201 N202 | E198-K201 PolarHBondContact O-N 3.08Å; E198-K201 IonicContact OE1-NZ 2.78Å; E198-K201 PolarHBondContact OE1-NZ 3.47Å; E198-N202 WeakPolarHBondContact O-CB 3.47Å; E198-N202 PolarHBondContact O-N 2.86Å; E198-N202 PolarHBondContact O-ND2 3.24Å |
| 199 | K | 69.2 | Low | 66.9 | Low | 131 Ų | 131 | 106.4 Ų | 106.4 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62 | -48.2 | 170.6 | -83.8 | 177.3 | 177 | 171.3 | 0 | 112.6 | D195 G196 K201 N202 D203 | D195-K199 PolarHBondContact O-N 3.2Å; G196-K199 PolarHBondContact O-N 3.3Å; K199-K201 VanDerWaalsContact C-N 3.29Å; K199-K201 PolarHBondContact O-N 3.49Å; K199-N202 PolarHBondContact O-N 2.92Å; K199-D203 WeakPolarHBondContact O-CB 3.48Å; K199-D203 PolarHBondContact O-N 3.05Å |
| 200 | Y | 71.6 | Confident | 69.6 | Low | 166 Ų | 166 | 104.1 Ų | 104.1 | 65% | 0.651 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.7 | -33.9 | 176.5 | -70.8 | -65 | 0 | 0 | 0 | 112.6 | G196 V197 N204 | G196-Y200 WeakPolarHBondContact O-CD2 3.13Å; G196-Y200 PolarHBondContact O-N 3.4Å; V197-Y200 PolarHBondContact O-N 2.91Å; Y200-N204 WeakPolarHBondContact O-CB 3.38Å; Y200-N204 PolarHBondContact O-N 2.91Å; Y200-N204 PolarHBondContact O-ND2 2.84Å |
| 201 | K | 77.6 | Confident | 71.9 | Confident | 102 Ų | 102 | 101.9 Ų | 101.9 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.4 | -44.8 | 173.3 | -74.8 | 172.6 | -176.7 | 173.6 | 0 | 111.9 | V197 E198 K199 N204 Q205 | V197-K201 HydrophobicContact CG1-CD 4.4Å; V197-K201 VanDerWaalsContact O-CG 3.27Å; V197-K201 WeakPolarHBondContact O-CG 3.36Å; V197-K201 PolarHBondContact O-N 3.42Å; E198-K201 PolarHBondContact O-N 3.08Å; E198-K201 IonicContact OE1-NZ 2.78Å; E198-K201 PolarHBondContact OE1-NZ 3.47Å; K199-K201 VanDerWaalsContact C-N 3.29Å; K199-K201 PolarHBondContact O-N 3.49Å; K201-N204 PolarHBondContact O-N 3.25Å; K201-Q205 WeakPolarHBondContact O-CG 3.44Å; K201-Q205 PolarHBondContact O-N 3.31Å |
| 202 | N | 79.7 | Confident | 74.4 | Confident | 81 Ų | 81 | 98.5 Ų | 98.5 | 43% | 0.433 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.8 | -69.1 | -16.6 | 0 | 0 | 0 | 111.1 | E198 K199 N204 Q205 T206 | E198-N202 WeakPolarHBondContact O-CB 3.47Å; E198-N202 PolarHBondContact O-N 2.86Å; E198-N202 PolarHBondContact O-ND2 3.24Å; K199-N202 PolarHBondContact O-N 2.92Å; N202-N204 VanDerWaalsContact C-N 3.34Å; N202-N204 PolarHBondContact O-N 2.86Å; N202-Q205 PolarHBondContact O-N 3.17Å; N202-T206 WeakPolarHBondContact O-CB 3.37Å; N202-T206 PolarHBondContact O-N 2.87Å; N202-T206 PolarHBondContact O-OG1 3.31Å |
| 203 | D | 84.7 | Confident | 77.1 | Confident | 89 Ų | 89 | 97 Ų | 97 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 176.2 | -66.7 | -18 | 0 | 0 | 0 | 110.9 | K199 T206 L207 | K199-D203 WeakPolarHBondContact O-CB 3.48Å; K199-D203 PolarHBondContact O-N 3.05Å; D203-T206 PolarHBondContact O-N 3.41Å; D203-L207 WeakPolarHBondContact O-CB 3.37Å; D203-L207 VanDerWaalsContact O-CG 3.24Å; D203-L207 WeakPolarHBondContact O-CG 3.44Å; D203-L207 PolarHBondContact O-N 2.95Å |
| 204 | N | 87.5 | Confident | 79.6 | Confident | 94 Ų | 94 | 96.8 Ų | 96.8 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 173.3 | -78 | -38.7 | 0 | 0 | 0 | 112.7 | Y200 K201 N202 T206 L207 L208 | Y200-N204 WeakPolarHBondContact O-CB 3.38Å; Y200-N204 PolarHBondContact O-N 2.91Å; Y200-N204 PolarHBondContact O-ND2 2.84Å; K201-N204 PolarHBondContact O-N 3.25Å; N202-N204 VanDerWaalsContact C-N 3.34Å; N202-N204 PolarHBondContact O-N 2.86Å; N204-T206 VanDerWaalsContact C-N 3.35Å; N204-L207 PolarHBondContact O-N 2.84Å; N204-L208 WeakPolarHBondContact O-CB 3.48Å; N204-L208 VanDerWaalsContact O-CG 3.3Å; N204-L208 WeakPolarHBondContact O-CG 3.38Å; N204-L208 PolarHBondContact O-N 3.09Å |
| 205 | Q | 87.3 | Confident | 81.8 | Confident | 118 Ų | 118 | 99.3 Ų | 99.3 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 173.1 | -79.4 | 176.1 | -3.6 | 0 | 0 | 111.6 | K201 N202 L208 L209 | K201-Q205 WeakPolarHBondContact O-CG 3.44Å; K201-Q205 PolarHBondContact O-N 3.31Å; N202-Q205 PolarHBondContact O-N 3.17Å; Q205-L208 PolarHBondContact O-N 2.93Å; Q205-L209 WeakPolarHBondContact O-CG 3.34Å; Q205-L209 PolarHBondContact O-N 3.08Å |
| 206 | T | 88.1 | Confident | 83.7 | Confident | 86 Ų | 86 | 96.6 Ų | 96.6 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 178.1 | -40.8 | 0 | 0 | 0 | 0 | 110.9 | N202 D203 N204 L209 Q210 | N202-T206 WeakPolarHBondContact O-CB 3.37Å; N202-T206 PolarHBondContact O-N 2.87Å; N202-T206 PolarHBondContact O-OG1 3.31Å; D203-T206 PolarHBondContact O-N 3.41Å; N204-T206 VanDerWaalsContact C-N 3.35Å; T206-L209 PolarHBondContact O-N 3.37Å; T206-Q210 WeakPolarHBondContact O-CB 3.37Å; T206-Q210 PolarHBondContact O-N 2.94Å |
| 207 | L | 93.1 | Very high | 85.4 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 173.4 | -75.4 | 167.2 | 0 | 0 | 0 | 112.1 | D203 N204 Q210 V211 | D203-L207 WeakPolarHBondContact O-CB 3.37Å; D203-L207 VanDerWaalsContact O-CG 3.24Å; D203-L207 WeakPolarHBondContact O-CG 3.44Å; D203-L207 PolarHBondContact O-N 2.95Å; N204-L207 PolarHBondContact O-N 2.84Å; L207-Q210 PolarHBondContact O-N 2.91Å; L207-V211 VanDerWaalsContact O-CG2 3.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 3.32Å |
| 208 | L | 93.9 | Very high | 87 | Confident | 116 Ų | 116 | 102 Ų | 102 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -48.2 | 174.7 | -82.1 | 163.7 | 0 | 0 | 0 | 111.4 | N204 Q205 Q210 V211 E212 | N204-L208 WeakPolarHBondContact O-CB 3.48Å; N204-L208 VanDerWaalsContact O-CG 3.3Å; N204-L208 WeakPolarHBondContact O-CG 3.38Å; N204-L208 PolarHBondContact O-N 3.09Å; Q205-L208 PolarHBondContact O-N 2.93Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.33Å; L208-V211 PolarHBondContact O-N 3.46Å; L208-E212 WeakPolarHBondContact O-CB 3.13Å; L208-E212 PolarHBondContact O-N 2.9Å |
| 209 | L | 92 | Very high | 88.4 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.9 | -36.3 | 176 | -70.4 | 170.2 | 0 | 0 | 0 | 112 | Q205 T206 E212 A213 | Q205-L209 WeakPolarHBondContact O-CG 3.34Å; Q205-L209 PolarHBondContact O-N 3.08Å; T206-L209 PolarHBondContact O-N 3.37Å; L209-E212 PolarHBondContact O-N 2.82Å; L209-A213 VanDerWaalsContact O-CB 3.29Å; L209-A213 WeakPolarHBondContact O-CB 3.48Å; L209-A213 PolarHBondContact O-N 3.47Å |
| 210 | Q | 93 | Very high | 89.6 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 176 | -169.7 | 172.4 | 20.6 | 0 | 0 | 112.1 | T206 L207 L208 L214 | T206-Q210 WeakPolarHBondContact O-CB 3.37Å; T206-Q210 PolarHBondContact O-N 2.94Å; L207-Q210 PolarHBondContact O-N 2.91Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.33Å; Q210-L214 HydrophobicContact CG-CD1 4.26Å; Q210-L214 WeakPolarHBondContact O-CB 3.24Å; Q210-L214 VanDerWaalsContact O-CG 3.26Å; Q210-L214 WeakPolarHBondContact O-CG 3.32Å; Q210-L214 PolarHBondContact O-N 3.01Å |
| 211 | V | 94.3 | Very high | 90.6 | Very high | 87 Ų | 87 | 98 Ų | 98 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 173.4 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | L207 L208 L214 Q215 | L207-V211 VanDerWaalsContact O-CG2 3.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 3.32Å; L208-V211 PolarHBondContact O-N 3.46Å; V211-L214 PolarHBondContact O-N 3.41Å; V211-Q215 WeakPolarHBondContact O-CB 3.24Å; V211-Q215 PolarHBondContact O-N 3.06Å |
| 212 | E | 92.9 | Very high | 91.4 | Very high | 128 Ų | 128 | 95.9 Ų | 95.9 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 179.1 | -163.7 | 172.3 | -157.3 | 0 | 0 | 111.7 | L208 L209 Q215 A216 | L208-E212 WeakPolarHBondContact O-CB 3.13Å; L208-E212 PolarHBondContact O-N 2.9Å; L209-E212 PolarHBondContact O-N 2.82Å; E212-Q215 PolarHBondContact O-N 3.17Å; E212-A216 WeakPolarHBondContact O-CB 3.47Å; E212-A216 PolarHBondContact O-N 2.95Å |
| 213 | A | 91 | Very high | 92.2 | Very high | 60 Ų | 60 | 97.9 Ų | 97.9 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L209 Q215 A216 Q217 | L209-A213 VanDerWaalsContact O-CB 3.29Å; L209-A213 WeakPolarHBondContact O-CB 3.48Å; L209-A213 PolarHBondContact O-N 3.47Å; A213-Q215 VanDerWaalsContact C-N 3.32Å; A213-A216 PolarHBondContact O-N 2.9Å; A213-Q217 WeakPolarHBondContact O-CB 3.25Å; A213-Q217 PolarHBondContact O-N 3.12Å |
| 214 | L | 94.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 98 Ų | 98 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | 175.2 | -74.1 | 169.8 | 0 | 0 | 0 | 111.3 | Q210 V211 Q217 M218 | Q210-L214 HydrophobicContact CG-CD1 4.26Å; Q210-L214 WeakPolarHBondContact O-CB 3.24Å; Q210-L214 VanDerWaalsContact O-CG 3.26Å; Q210-L214 WeakPolarHBondContact O-CG 3.32Å; Q210-L214 PolarHBondContact O-N 3.01Å; V211-L214 PolarHBondContact O-N 3.41Å; L214-Q217 PolarHBondContact O-N 2.83Å; L214-M218 VanDerWaalsContact O-CG 3.26Å; L214-M218 WeakPolarHBondContact O-CG 3.47Å; L214-M218 PolarHBondContact O-N 3.29Å |
| 215 | Q | 94.6 | Very high | 93 | Very high | 109 Ų | 109 | 97.5 Ų | 97.5 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 176.8 | -170.2 | 174.5 | -19.7 | 0 | 0 | 111.2 | V211 E212 A213 Q217 M218 E219 | V211-Q215 WeakPolarHBondContact O-CB 3.24Å; V211-Q215 PolarHBondContact O-N 3.06Å; E212-Q215 PolarHBondContact O-N 3.17Å; A213-Q215 VanDerWaalsContact C-N 3.32Å; Q215-Q217 VanDerWaalsContact C-N 3.31Å; Q215-Q217 PolarHBondContact O-N 3.31Å; Q215-M218 PolarHBondContact O-N 3.49Å; Q215-E219 PolarHBondContact NE2-OE1 3.37Å; Q215-E219 WeakPolarHBondContact O-CB 3.44Å; Q215-E219 WeakPolarHBondContact O-CG 3.37Å; Q215-E219 PolarHBondContact O-N 3.46Å |
| 216 | A | 91.6 | Very high | 93.4 | Very high | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E212 A213 E219 E220 | E212-A216 WeakPolarHBondContact O-CB 3.47Å; E212-A216 PolarHBondContact O-N 2.95Å; A213-A216 PolarHBondContact O-N 2.9Å; A216-E219 PolarHBondContact O-N 3.24Å; A216-E220 WeakPolarHBondContact O-CB 3.3Å; A216-E220 PolarHBondContact O-N 3.43Å |
| 217 | Q | 93.7 | Very high | 93.7 | Very high | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.3 | -174.9 | 179.5 | -6.8 | 0 | 0 | 111.9 | A213 L214 Q215 Q221 | A213-Q217 WeakPolarHBondContact O-CB 3.25Å; A213-Q217 PolarHBondContact O-N 3.12Å; L214-Q217 PolarHBondContact O-N 2.83Å; Q215-Q217 VanDerWaalsContact C-N 3.31Å; Q215-Q217 PolarHBondContact O-N 3.31Å; Q217-Q221 WeakPolarHBondContact O-CB 3.5Å; Q217-Q221 WeakPolarHBondContact O-CG 3.38Å; Q217-Q221 PolarHBondContact O-N 2.96Å |
| 218 | M | 93 | Very high | 93.7 | Very high | 112 Ų | 112 | 100.3 Ų | 100.3 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.4 | -38.1 | 176.6 | -70.3 | -60.4 | -59.2 | 0 | 0 | 111.9 | L214 Q215 T222 | L214-M218 VanDerWaalsContact O-CG 3.26Å; L214-M218 WeakPolarHBondContact O-CG 3.47Å; L214-M218 PolarHBondContact O-N 3.29Å; Q215-M218 PolarHBondContact O-N 3.49Å; M218-T222 WeakPolarHBondContact O-CB 3.48Å; M218-T222 PolarHBondContact O-N 2.99Å; M218-T222 PolarHBondContact O-OG1 3.15Å |
| 219 | E | 93.9 | Very high | 93.7 | Very high | 114 Ų | 114 | 98.2 Ų | 98.2 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 175.3 | -75.7 | 173.5 | -169 | 0 | 0 | 111.6 | Q215 A216 T222 R223 | Q215-E219 PolarHBondContact NE2-OE1 3.37Å; Q215-E219 WeakPolarHBondContact O-CB 3.44Å; Q215-E219 WeakPolarHBondContact O-CG 3.37Å; Q215-E219 PolarHBondContact O-N 3.46Å; A216-E219 PolarHBondContact O-N 3.24Å; E219-T222 WeakPolarHBondContact O-CB 3.48Å; E219-T222 PolarHBondContact O-N 2.89Å; E219-R223 WeakPolarHBondContact O-CB 3.43Å; E219-R223 PolarHBondContact O-N 2.92Å |
| 220 | E | 93.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 97.7 Ų | 97.7 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 178 | -169 | 64.8 | -171.1 | 0 | 0 | 111.7 | A216 T222 R223 L224 | A216-E220 WeakPolarHBondContact O-CB 3.3Å; A216-E220 PolarHBondContact O-N 3.43Å; E220-T222 VanDerWaalsContact C-N 3.3Å; E220-T222 PolarHBondContact O-N 3.44Å; E220-R223 WeakPolarHBondContact O-CB 3.43Å; E220-R223 PolarHBondContact O-N 2.91Å; E220-R223 IonicContact OE1-NH1 2.86Å; E220-R223 IonicContact OE2-NH1 3.6Å; E220-L224 HydrophobicContact CG-CD1 4.48Å; E220-L224 WeakPolarHBondContact O-CB 3.32Å; E220-L224 WeakPolarHBondContact O-CG 3.45Å; E220-L224 PolarHBondContact O-N 3.38Å |
| 221 | Q | 93.2 | Very high | 93.6 | Very high | 101 Ų | 101 | 94.3 Ų | 94.3 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 171.7 | -78.4 | -169.4 | -2.3 | 0 | 0 | 111.8 | Q217 R223 L224 V225 | Q217-Q221 WeakPolarHBondContact O-CB 3.5Å; Q217-Q221 WeakPolarHBondContact O-CG 3.38Å; Q217-Q221 PolarHBondContact O-N 2.96Å; Q221-R223 VanDerWaalsContact C-N 3.32Å; Q221-R223 PolarHBondContact O-N 3.24Å; Q221-L224 PolarHBondContact O-N 2.9Å; Q221-V225 VanDerWaalsContact O-CG2 3.3Å; Q221-V225 WeakPolarHBondContact O-CG2 3.26Å; Q221-V225 PolarHBondContact O-N 3.43Å |
| 222 | T | 94.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 95.3 Ų | 95.3 | 36% | 0.356 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 177 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | M218 E219 E220 R226 | M218-T222 WeakPolarHBondContact O-CB 3.48Å; M218-T222 PolarHBondContact O-N 2.99Å; M218-T222 PolarHBondContact O-OG1 3.15Å; E219-T222 WeakPolarHBondContact O-CB 3.48Å; E219-T222 PolarHBondContact O-N 2.89Å; E220-T222 VanDerWaalsContact C-N 3.3Å; E220-T222 PolarHBondContact O-N 3.44Å; T222-R226 VanDerWaalsContact O-CG 3.3Å; T222-R226 WeakPolarHBondContact O-CG 3.06Å; T222-R226 PolarHBondContact O-N 3.4Å |
| 223 | R | 96.1 | Very high | 93.4 | Very high | 124 Ų | 124 | 94 Ų | 94 | 47% | 0.468 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 176.2 | -175.9 | -175.3 | 163.2 | -155.8 | -7 | 111.9 | E219 E220 Q221 V225 R226 E227 | E219-R223 WeakPolarHBondContact O-CB 3.43Å; E219-R223 PolarHBondContact O-N 2.92Å; E220-R223 WeakPolarHBondContact O-CB 3.43Å; E220-R223 PolarHBondContact O-N 2.91Å; E220-R223 IonicContact OE1-NH1 2.86Å; E220-R223 IonicContact OE2-NH1 3.6Å; Q221-R223 VanDerWaalsContact C-N 3.32Å; Q221-R223 PolarHBondContact O-N 3.24Å; R223-V225 VanDerWaalsContact C-N 3.32Å; R223-V225 PolarHBondContact O-N 3.38Å; R223-R226 WeakPolarHBondContact O-CB 3.43Å; R223-R226 PolarHBondContact O-N 3.47Å; R223-R226 VanDerWaalsContact O-N 3.12Å; R223-E227 IonicContact CZ-OE1 3.39Å; R223-E227 IonicContact NE-OE1 3.07Å; R223-E227 PolarHBondContact NE-OE1 2.91Å; R223-E227 IonicContact NH2-OE1 3.2Å; R223-E227 PolarHBondContact NH2-OE1 3.37Å; R223-E227 WeakPolarHBondContact O-CG 3.39Å; R223-E227 PolarHBondContact O-N 3.12Å |
| 224 | L | 95.3 | Very high | 93.4 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.4 | -72.7 | 173 | 0 | 0 | 0 | 112.2 | E220 Q221 R226 E227 Q228 | E220-L224 HydrophobicContact CG-CD1 4.48Å; E220-L224 WeakPolarHBondContact O-CB 3.32Å; E220-L224 WeakPolarHBondContact O-CG 3.45Å; E220-L224 PolarHBondContact O-N 3.38Å; Q221-L224 PolarHBondContact O-N 2.9Å; L224-R226 VanDerWaalsContact C-N 3.35Å; L224-E227 PolarHBondContact O-N 3.09Å; L224-Q228 VanDerWaalsContact O-CB 3.32Å; L224-Q228 WeakPolarHBondContact O-CB 3.49Å; L224-Q228 PolarHBondContact O-N 3.48Å |
| 225 | V | 94.8 | Very high | 93.3 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | Q221 R223 Q228 V229 | Q221-V225 VanDerWaalsContact O-CG2 3.3Å; Q221-V225 WeakPolarHBondContact O-CG2 3.26Å; Q221-V225 PolarHBondContact O-N 3.43Å; R223-V225 VanDerWaalsContact C-N 3.32Å; R223-V225 PolarHBondContact O-N 3.38Å; V225-Q228 PolarHBondContact O-N 2.99Å; V225-V229 HydrophobicContact CG1-CG2 4.45Å; V225-V229 WeakPolarHBondContact O-CB 3.48Å; V225-V229 VanDerWaalsContact O-CG2 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 3.13Å |
| 226 | R | 94.8 | Very high | 92.8 | Very high | 149 Ų | 149 | 99.2 Ų | 99.2 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -50 | 174.3 | -72.2 | 175.6 | -157.4 | 147.6 | 4.3 | 111.7 | T222 R223 L224 Q228 V229 E230 | T222-R226 VanDerWaalsContact O-CG 3.3Å; T222-R226 WeakPolarHBondContact O-CG 3.06Å; T222-R226 PolarHBondContact O-N 3.4Å; R223-R226 WeakPolarHBondContact O-CB 3.43Å; R223-R226 PolarHBondContact O-N 3.47Å; R223-R226 VanDerWaalsContact O-N 3.12Å; L224-R226 VanDerWaalsContact C-N 3.35Å; R226-Q228 VanDerWaalsContact C-N 3.26Å; R226-Q228 PolarHBondContact O-N 2.83Å; R226-V229 PolarHBondContact O-N 2.85Å; R226-V229 VanDerWaalsContact O-N 3.09Å; R226-E230 WeakPolarHBondContact O-CB 3.49Å; R226-E230 WeakPolarHBondContact O-CG 3.25Å; R226-E230 PolarHBondContact O-N 2.85Å |
| 227 | E | 95.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 104.1 Ų | 104.1 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 178 | -70.3 | 176 | -175.7 | 0 | 0 | 111.1 | R223 L224 A231 | R223-E227 IonicContact CZ-OE1 3.39Å; R223-E227 IonicContact NE-OE1 3.07Å; R223-E227 PolarHBondContact NE-OE1 2.91Å; R223-E227 IonicContact NH2-OE1 3.2Å; R223-E227 PolarHBondContact NH2-OE1 3.37Å; R223-E227 WeakPolarHBondContact O-CG 3.39Å; R223-E227 PolarHBondContact O-N 3.12Å; L224-E227 PolarHBondContact O-N 3.09Å; E227-A231 WeakPolarHBondContact O-CB 3.48Å; E227-A231 PolarHBondContact O-N 3.25Å |
| 228 | Q | 93 | Very high | 92.6 | Very high | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 173.9 | -175.7 | 178.1 | 43.7 | 0 | 0 | 112.3 | L224 V225 R226 L232 | L224-Q228 VanDerWaalsContact O-CB 3.32Å; L224-Q228 WeakPolarHBondContact O-CB 3.49Å; L224-Q228 PolarHBondContact O-N 3.48Å; V225-Q228 PolarHBondContact O-N 2.99Å; R226-Q228 VanDerWaalsContact C-N 3.26Å; R226-Q228 PolarHBondContact O-N 2.83Å; Q228-L232 HydrophobicContact CG-CD1 4.25Å; Q228-L232 WeakPolarHBondContact O-CB 3.48Å; Q228-L232 VanDerWaalsContact O-CG 3.24Å; Q228-L232 WeakPolarHBondContact O-CG 3.28Å; Q228-L232 PolarHBondContact O-N 3.38Å; Q228-L232 VanDerWaalsContact O-N 3.08Å |
| 229 | V | 93.4 | Very high | 92.3 | Very high | 72 Ų | 72 | 102.8 Ų | 102.8 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | V225 R226 L232 L233 | V225-V229 HydrophobicContact CG1-CG2 4.45Å; V225-V229 WeakPolarHBondContact O-CB 3.48Å; V225-V229 VanDerWaalsContact O-CG2 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 3.13Å; R226-V229 PolarHBondContact O-N 2.85Å; R226-V229 VanDerWaalsContact O-N 3.09Å; V229-L232 PolarHBondContact O-N 2.93Å; V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.29Å; V229-L233 WeakPolarHBondContact O-CB 3.37Å; V229-L233 VanDerWaalsContact O-CG 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.35Å; V229-L233 PolarHBondContact O-N 3.42Å |
| 230 | E | 92.8 | Very high | 92 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -49.9 | 176.9 | -73.9 | 170.9 | -173.6 | 0 | 0 | 111.1 | R226 L232 L233 E234 | R226-E230 WeakPolarHBondContact O-CB 3.49Å; R226-E230 WeakPolarHBondContact O-CG 3.25Å; R226-E230 PolarHBondContact O-N 2.85Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 3.31Å; E230-L233 WeakPolarHBondContact O-CB 3.37Å; E230-L233 PolarHBondContact O-N 2.95Å; E230-L233 VanDerWaalsContact O-N 3.08Å; E230-E234 VanDerWaalsContact O-CD 3.24Å; E230-E234 WeakPolarHBondContact O-CG 3.33Å; E230-E234 PolarHBondContact O-N 2.88Å |
| 231 | A | 91.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 99.9 Ų | 99.9 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E227 L233 E234 D235 | E227-A231 WeakPolarHBondContact O-CB 3.48Å; E227-A231 PolarHBondContact O-N 3.25Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.46Å; A231-E234 PolarHBondContact O-N 3.42Å; A231-D235 WeakPolarHBondContact O-CB 3.42Å; A231-D235 PolarHBondContact O-N 2.99Å |
| 232 | L | 92.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 101.1 Ų | 101.1 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.3 | -33.4 | 176.9 | -71.5 | 173.8 | 0 | 0 | 0 | 112.8 | Q228 V229 E230 R236 | Q228-L232 HydrophobicContact CG-CD1 4.25Å; Q228-L232 WeakPolarHBondContact O-CB 3.48Å; Q228-L232 VanDerWaalsContact O-CG 3.24Å; Q228-L232 WeakPolarHBondContact O-CG 3.28Å; Q228-L232 PolarHBondContact O-N 3.38Å; Q228-L232 VanDerWaalsContact O-N 3.08Å; V229-L232 PolarHBondContact O-N 2.93Å; E230-L232 VanDerWaalsContact C-N 3.34Å; E230-L232 PolarHBondContact O-N 3.31Å; L232-R236 WeakPolarHBondContact O-CB 3.37Å; L232-R236 PolarHBondContact O-N 2.98Å |
| 233 | L | 91.2 | Very high | 91.2 | Very high | 101 Ų | 101 | 100.3 Ų | 100.3 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.9 | -39.1 | 175.2 | -72.6 | 173.8 | 0 | 0 | 0 | 111.4 | V229 E230 A231 R236 R237 | V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.29Å; V229-L233 WeakPolarHBondContact O-CB 3.37Å; V229-L233 VanDerWaalsContact O-CG 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.35Å; V229-L233 PolarHBondContact O-N 3.42Å; E230-L233 WeakPolarHBondContact O-CB 3.37Å; E230-L233 PolarHBondContact O-N 2.95Å; E230-L233 VanDerWaalsContact O-N 3.08Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.46Å; L233-R236 PolarHBondContact O-N 3.39Å; L233-R237 WeakPolarHBondContact O-CB 3.25Å; L233-R237 PolarHBondContact O-N 2.77Å |
| 234 | E | 90.1 | Very high | 90.9 | Very high | 108 Ų | 108 | 99.5 Ų | 99.5 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 174 | -76.2 | 142.2 | -168.4 | 0 | 0 | 111.6 | E230 A231 R236 R237 I238 | E230-E234 VanDerWaalsContact O-CD 3.24Å; E230-E234 WeakPolarHBondContact O-CG 3.33Å; E230-E234 PolarHBondContact O-N 2.88Å; A231-E234 PolarHBondContact O-N 3.42Å; E234-R236 PolarHBondContact O-N 2.88Å; E234-R237 WeakPolarHBondContact O-CB 3.39Å; E234-R237 PolarHBondContact O-N 2.97Å; E234-R237 VanDerWaalsContact O-N 3.13Å; E234-I238 VanDerWaalsContact O-CG1 3.31Å; E234-I238 WeakPolarHBondContact O-CG1 3.48Å; E234-I238 PolarHBondContact O-N 3.06Å |
| 235 | D | 91.1 | Very high | 90.7 | Very high | 91 Ų | 91 | 96.4 Ų | 96.4 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 172.9 | -79.8 | -11.3 | 0 | 0 | 0 | 111.3 | A231 R237 I238 I239 | A231-D235 WeakPolarHBondContact O-CB 3.42Å; A231-D235 PolarHBondContact O-N 2.99Å; D235-R237 VanDerWaalsContact C-N 3.28Å; D235-R237 PolarHBondContact O-N 3.11Å; D235-I238 PolarHBondContact O-N 3.08Å; D235-I239 VanDerWaalsContact O-CG1 3.25Å; D235-I239 WeakPolarHBondContact O-CG1 3.11Å; D235-I239 PolarHBondContact O-N 3.34Å |
| 236 | R | 84.1 | Confident | 90.5 | Very high | 173 Ų | 173 | 96.4 Ų | 96.4 | 65% | 0.653 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 175.5 | -173.6 | -167.1 | 159.4 | -167 | -6.4 | 110.8 | L232 L233 E234 I239 T240 | L232-R236 WeakPolarHBondContact O-CB 3.37Å; L232-R236 PolarHBondContact O-N 2.98Å; L233-R236 PolarHBondContact O-N 3.39Å; E234-R236 PolarHBondContact O-N 2.88Å; R236-I239 PolarHBondContact O-N 3.44Å; R236-T240 WeakPolarHBondContact O-CG2 3.42Å; R236-T240 PolarHBondContact O-N 2.94Å; R236-T240 PolarHBondContact O-OG1 3.43Å |
| 237 | R | 93.3 | Very high | 90.2 | Very high | 155 Ų | 155 | 97.5 Ų | 97.5 | 59% | 0.585 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.6 | -48.8 | 178.3 | -178 | -178 | 171.1 | -150.4 | -9 | 110.9 | L233 E234 D235 I239 T240 E241 | L233-R237 WeakPolarHBondContact O-CB 3.25Å; L233-R237 PolarHBondContact O-N 2.77Å; E234-R237 WeakPolarHBondContact O-CB 3.39Å; E234-R237 PolarHBondContact O-N 2.97Å; E234-R237 VanDerWaalsContact O-N 3.13Å; D235-R237 VanDerWaalsContact C-N 3.28Å; D235-R237 PolarHBondContact O-N 3.11Å; R237-I239 VanDerWaalsContact C-N 3.35Å; R237-I239 PolarHBondContact O-N 3.4Å; R237-T240 WeakPolarHBondContact CA-OG1 3.44Å; R237-T240 PolarHBondContact O-N 3.32Å; R237-T240 VanDerWaalsContact O-N 3.14Å; R237-T240 PolarHBondContact O-OG1 3.46Å; R237-E241 HydrophobicContact CG-CG 4.44Å; R237-E241 IonicContact CZ-OE1 3.64Å; R237-E241 IonicContact NE-OE1 3.29Å; R237-E241 PolarHBondContact NE-OE1 3.36Å; R237-E241 IonicContact NH2-OE1 2.61Å; R237-E241 PolarHBondContact NH2-OE1 2.88Å; R237-E241 WeakPolarHBondContact O-CG 3.46Å; R237-E241 PolarHBondContact O-N 3.12Å |
| 238 | I | 88 | Confident | 90 | Very high | 83 Ų | 83 | 99.2 Ų | 99.2 | 43% | 0.426 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 177.2 | -66.8 | 163.9 | 0 | 0 | 0 | 110.2 | E234 D235 T240 E241 E242 | E234-I238 VanDerWaalsContact O-CG1 3.31Å; E234-I238 WeakPolarHBondContact O-CG1 3.48Å; E234-I238 PolarHBondContact O-N 3.06Å; D235-I238 PolarHBondContact O-N 3.08Å; I238-T240 VanDerWaalsContact C-N 3.3Å; I238-T240 PolarHBondContact O-N 3.03Å; I238-E241 PolarHBondContact O-N 3.22Å; I238-E242 HydrophobicContact CG2-CG 4.25Å; I238-E242 WeakPolarHBondContact O-CB 3.37Å; I238-E242 WeakPolarHBondContact O-CG 3.27Å; I238-E242 PolarHBondContact O-N 3.47Å |
| 239 | I | 87.4 | Confident | 90 | Very high | 110 Ų | 110 | 100.1 Ų | 100.1 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | 177.6 | -67 | 164.6 | 0 | 0 | 0 | 111 | D235 R236 R237 S243 | D235-I239 VanDerWaalsContact O-CG1 3.25Å; D235-I239 WeakPolarHBondContact O-CG1 3.11Å; D235-I239 PolarHBondContact O-N 3.34Å; R236-I239 PolarHBondContact O-N 3.44Å; R237-I239 VanDerWaalsContact C-N 3.35Å; R237-I239 PolarHBondContact O-N 3.4Å; I239-S243 VanDerWaalsContact O-CB 3.24Å; I239-S243 WeakPolarHBondContact O-CB 3.44Å; I239-S243 PolarHBondContact O-N 3.43Å; I239-S243 PolarHBondContact O-OG 2.97Å |
| 240 | T | 86.5 | Confident | 89.7 | Confident | 51 Ų | 51 | 99.9 Ų | 99.9 | 31% | 0.313 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | R236 R237 I238 S243 Q244 | R236-T240 WeakPolarHBondContact O-CG2 3.42Å; R236-T240 PolarHBondContact O-N 2.94Å; R236-T240 PolarHBondContact O-OG1 3.43Å; R237-T240 WeakPolarHBondContact CA-OG1 3.44Å; R237-T240 PolarHBondContact O-N 3.32Å; R237-T240 VanDerWaalsContact O-N 3.14Å; R237-T240 PolarHBondContact O-OG1 3.46Å; I238-T240 VanDerWaalsContact C-N 3.3Å; I238-T240 PolarHBondContact O-N 3.03Å; T240-S243 PolarHBondContact O-N 2.65Å; T240-S243 PolarHBondContact O-OG 3.36Å; T240-Q244 WeakPolarHBondContact O-CB 3.49Å; T240-Q244 VanDerWaalsContact O-CG 3.28Å; T240-Q244 WeakPolarHBondContact O-CG 3.35Å; T240-Q244 PolarHBondContact O-N 2.98Å |
| 241 | E | 91.9 | Very high | 89.6 | Confident | 87 Ų | 87 | 98.8 Ų | 98.8 | 41% | 0.407 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 178.6 | -72 | 177.9 | 179.6 | 0 | 0 | 111.4 | R237 I238 Q244 A245 | R237-E241 HydrophobicContact CG-CG 4.44Å; R237-E241 IonicContact CZ-OE1 3.64Å; R237-E241 IonicContact NE-OE1 3.29Å; R237-E241 PolarHBondContact NE-OE1 3.36Å; R237-E241 IonicContact NH2-OE1 2.61Å; R237-E241 PolarHBondContact NH2-OE1 2.88Å; R237-E241 WeakPolarHBondContact O-CG 3.46Å; R237-E241 PolarHBondContact O-N 3.12Å; I238-E241 PolarHBondContact O-N 3.22Å; E241-Q244 PolarHBondContact O-N 2.98Å; E241-A245 WeakPolarHBondContact O-CB 3.41Å; E241-A245 PolarHBondContact O-N 2.98Å |
| 242 | E | 90.5 | Very high | 89.7 | Confident | 127 Ų | 127 | 102.6 Ų | 102.6 | 59% | 0.593 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 174.6 | -73.8 | -174.1 | 165.8 | 0 | 0 | 112 | I238 Q244 A245 Q246 | I238-E242 HydrophobicContact CG2-CG 4.25Å; I238-E242 WeakPolarHBondContact O-CB 3.37Å; I238-E242 WeakPolarHBondContact O-CG 3.27Å; I238-E242 PolarHBondContact O-N 3.47Å; E242-Q244 VanDerWaalsContact C-N 3.32Å; E242-Q244 PolarHBondContact O-N 3.4Å; E242-A245 PolarHBondContact O-N 2.97Å; E242-Q246 WeakPolarHBondContact O-CB 3.39Å; E242-Q246 PolarHBondContact O-N 3.2Å |
| 243 | S | 83.6 | Confident | 89.8 | Confident | 42 Ų | 42 | 105.8 Ų | 105.8 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 177.2 | 77.8 | 0 | 0 | 0 | 0 | 111.9 | I239 T240 Q246 R247 | I239-S243 VanDerWaalsContact O-CB 3.24Å; I239-S243 WeakPolarHBondContact O-CB 3.44Å; I239-S243 PolarHBondContact O-N 3.43Å; I239-S243 PolarHBondContact O-OG 2.97Å; T240-S243 PolarHBondContact O-N 2.65Å; T240-S243 PolarHBondContact O-OG 3.36Å; S243-Q246 PolarHBondContact O-N 3.26Å; S243-R247 WeakPolarHBondContact O-CB 3.47Å; S243-R247 VanDerWaalsContact O-CG 3.26Å; S243-R247 WeakPolarHBondContact O-CG 3.37Å; S243-R247 PolarHBondContact O-N 3.01Å |
| 244 | Q | 88.9 | Confident | 89.8 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.9 | -46.1 | 175.1 | -75.4 | 177 | 3.1 | 0 | 0 | 111.2 | T240 E241 E242 Q246 R247 Q248 | T240-Q244 WeakPolarHBondContact O-CB 3.49Å; T240-Q244 VanDerWaalsContact O-CG 3.28Å; T240-Q244 WeakPolarHBondContact O-CG 3.35Å; T240-Q244 PolarHBondContact O-N 2.98Å; E241-Q244 PolarHBondContact O-N 2.98Å; E242-Q244 VanDerWaalsContact C-N 3.32Å; E242-Q244 PolarHBondContact O-N 3.4Å; Q244-Q246 VanDerWaalsContact C-N 3.26Å; Q244-Q246 PolarHBondContact O-N 3.2Å; Q244-R247 PolarHBondContact O-N 3.49Å; Q244-Q248 VanDerWaalsContact O-CG 3.31Å; Q244-Q248 WeakPolarHBondContact O-CG 3.41Å; Q244-Q248 PolarHBondContact O-N 2.96Å |
| 245 | A | 90.4 | Very high | 89.8 | Confident | 27 Ų | 27 | 101.9 Ų | 101.9 | 22% | 0.223 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E241 E242 Q248 R249 | E241-A245 WeakPolarHBondContact O-CB 3.41Å; E241-A245 PolarHBondContact O-N 2.98Å; E242-A245 PolarHBondContact O-N 2.97Å; A245-Q248 PolarHBondContact O-N 3.25Å; A245-R249 WeakPolarHBondContact O-CG 3.41Å; A245-R249 PolarHBondContact O-N 2.89Å; A245-R249 VanDerWaalsContact O-N 3.08Å |
| 246 | Q | 91.8 | Very high | 89.9 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 174.8 | -173.7 | 54.9 | 31.8 | 0 | 0 | 111.6 | E242 S243 Q244 Q248 R249 D250 | E242-Q246 WeakPolarHBondContact O-CB 3.39Å; E242-Q246 PolarHBondContact O-N 3.2Å; S243-Q246 PolarHBondContact O-N 3.26Å; Q244-Q246 VanDerWaalsContact C-N 3.26Å; Q244-Q246 PolarHBondContact O-N 3.2Å; Q246-Q248 VanDerWaalsContact C-N 3.27Å; Q246-Q248 PolarHBondContact O-N 2.88Å; Q246-R249 PolarHBondContact O-N 2.89Å; Q246-R249 VanDerWaalsContact O-N 3.16Å; Q246-R249 VanDerWaalsContact OE1-NH1 3.1Å; Q246-D250 VanDerWaalsContact NE2-CG 3.28Å; Q246-D250 PolarHBondContact NE2-OD1 3.3Å; Q246-D250 PolarHBondContact NE2-OD2 3.47Å; Q246-D250 PolarHBondContact O-N 3.45Å |
| 247 | R | 87.9 | Confident | 90.4 | Very high | 171 Ų | 171 | 95.9 Ų | 95.9 | 65% | 0.645 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -56.8 | -40.1 | 174.9 | -73 | 173.6 | -166.8 | 180 | 5 | 112.2 | S243 Q244 D250 H251 | S243-R247 WeakPolarHBondContact O-CB 3.47Å; S243-R247 VanDerWaalsContact O-CG 3.26Å; S243-R247 WeakPolarHBondContact O-CG 3.37Å; S243-R247 PolarHBondContact O-N 3.01Å; Q244-R247 PolarHBondContact O-N 3.49Å; R247-D250 PolarHBondContact O-N 3.35Å; R247-H251 WeakPolarHBondContact O-CB 3.4Å; R247-H251 PolarHBondContact O-N 2.94Å |
| 248 | Q | 90.3 | Very high | 90.3 | Very high | 118 Ų | 118 | 89.6 Ų | 89.6 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 177.1 | -74.3 | 173.7 | 1.6 | 0 | 0 | 112.1 | Q244 A245 Q246 H251 Q252 | Q244-Q248 VanDerWaalsContact O-CG 3.31Å; Q244-Q248 WeakPolarHBondContact O-CG 3.41Å; Q244-Q248 PolarHBondContact O-N 2.96Å; A245-Q248 PolarHBondContact O-N 3.25Å; Q246-Q248 VanDerWaalsContact C-N 3.27Å; Q246-Q248 PolarHBondContact O-N 2.88Å; Q248-H251 PolarHBondContact O-N 3.33Å; Q248-Q252 WeakPolarHBondContact O-CB 3.5Å; Q248-Q252 VanDerWaalsContact O-CG 3.25Å; Q248-Q252 WeakPolarHBondContact O-CG 3.44Å; Q248-Q252 PolarHBondContact O-N 2.86Å |
| 249 | R | 92.5 | Very high | 90.5 | Very high | 144 Ų | 144 | 91.1 Ų | 91.1 | 54% | 0.543 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.1 | -69.3 | 176.6 | -154.5 | 125.7 | 2.8 | 111.6 | A245 Q246 Q252 R253 | A245-R249 WeakPolarHBondContact O-CG 3.41Å; A245-R249 PolarHBondContact O-N 2.89Å; A245-R249 VanDerWaalsContact O-N 3.08Å; Q246-R249 PolarHBondContact O-N 2.89Å; Q246-R249 VanDerWaalsContact O-N 3.16Å; Q246-R249 VanDerWaalsContact OE1-NH1 3.1Å; R249-Q252 PolarHBondContact O-N 3.34Å; R249-R253 WeakPolarHBondContact O-CB 3.28Å; R249-R253 PolarHBondContact O-N 3.21Å |
| 250 | D | 88.3 | Confident | 90.9 | Very high | 67 Ų | 67 | 91.9 Ų | 91.9 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 178.6 | -67.6 | -27.8 | 0 | 0 | 0 | 110.6 | Q246 R247 R253 I254 | Q246-D250 VanDerWaalsContact NE2-CG 3.28Å; Q246-D250 PolarHBondContact NE2-OD1 3.3Å; Q246-D250 PolarHBondContact NE2-OD2 3.47Å; Q246-D250 PolarHBondContact O-N 3.45Å; R247-D250 PolarHBondContact O-N 3.35Å; D250-R253 WeakPolarHBondContact O-CB 3.43Å; D250-R253 PolarHBondContact O-N 2.9Å; D250-I254 WeakPolarHBondContact O-CB 3.38Å; D250-I254 VanDerWaalsContact O-CG1 3.23Å; D250-I254 WeakPolarHBondContact O-CG1 3.26Å; D250-I254 PolarHBondContact O-N 2.78Å |
| 251 | H | 89.7 | Confident | 91.3 | Very high | 79 Ų | 79 | 93.6 Ų | 93.6 | 37% | 0.366 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 173.5 | -175.1 | 73.2 | 0 | 0 | 0 | 111.7 | R247 Q248 R253 I254 T255 | R247-H251 WeakPolarHBondContact O-CB 3.4Å; R247-H251 PolarHBondContact O-N 2.94Å; Q248-H251 PolarHBondContact O-N 3.33Å; H251-R253 VanDerWaalsContact C-N 3.26Å; H251-R253 PolarHBondContact O-N 2.88Å; H251-I254 PolarHBondContact O-N 3.33Å; H251-I254 VanDerWaalsContact O-N 3.15Å; H251-T255 WeakPolarHBondContact O-CG2 3.31Å; H251-T255 PolarHBondContact O-N 3.43Å; H251-T255 PolarHBondContact O-OG1 2.91Å |
| 252 | Q | 93.3 | Very high | 91.3 | Very high | 124 Ų | 124 | 91.9 Ų | 91.9 | 58% | 0.579 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.5 | -36.2 | 175.7 | -72.7 | 170.2 | 4.6 | 0 | 0 | 112.6 | Q248 R249 T255 A256 | Q248-Q252 WeakPolarHBondContact O-CB 3.5Å; Q248-Q252 VanDerWaalsContact O-CG 3.25Å; Q248-Q252 WeakPolarHBondContact O-CG 3.44Å; Q248-Q252 PolarHBondContact O-N 2.86Å; R249-Q252 PolarHBondContact O-N 3.34Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.26Å; Q252-T255 PolarHBondContact O-OG1 2.84Å; Q252-A256 VanDerWaalsContact O-CB 3.31Å; Q252-A256 WeakPolarHBondContact O-CB 3.24Å; Q252-A256 PolarHBondContact O-N 2.69Å; Q252-A256 VanDerWaalsContact O-N 3.07Å |
| 253 | R | 95.4 | Very high | 91.5 | Very high | 174 Ų | 174 | 91.8 Ų | 91.8 | 66% | 0.657 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.6 | -42.2 | 176.2 | -174.8 | 174.2 | -177.3 | 165.6 | 0.3 | 111.3 | R249 D250 H251 L257 | R249-R253 WeakPolarHBondContact O-CB 3.28Å; R249-R253 PolarHBondContact O-N 3.21Å; D250-R253 WeakPolarHBondContact O-CB 3.43Å; D250-R253 PolarHBondContact O-N 2.9Å; H251-R253 VanDerWaalsContact C-N 3.26Å; H251-R253 PolarHBondContact O-N 2.88Å; R253-L257 HydrophobicContact CG-CD1 4.06Å; R253-L257 WeakPolarHBondContact O-CB 3.49Å; R253-L257 VanDerWaalsContact O-CG 3.25Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 3.29Å |
| 254 | I | 90.3 | Very high | 92 | Very high | 91 Ų | 91 | 93.8 Ų | 93.8 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.2 | -70.2 | 164.4 | 0 | 0 | 0 | 110.1 | D250 H251 L257 S258 | D250-I254 WeakPolarHBondContact O-CB 3.38Å; D250-I254 VanDerWaalsContact O-CG1 3.23Å; D250-I254 WeakPolarHBondContact O-CG1 3.26Å; D250-I254 PolarHBondContact O-N 2.78Å; H251-I254 PolarHBondContact O-N 3.33Å; H251-I254 VanDerWaalsContact O-N 3.15Å; I254-L257 PolarHBondContact O-N 3.39Å; I254-S258 WeakPolarHBondContact O-CB 3.4Å; I254-S258 PolarHBondContact O-N 2.97Å; I254-S258 PolarHBondContact O-OG 3.14Å |
| 255 | T | 90.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 91 Ų | 91 | 23% | 0.227 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 177.8 | 57 | 0 | 0 | 0 | 0 | 111.1 | H251 Q252 L257 S258 E259 | H251-T255 WeakPolarHBondContact O-CG2 3.31Å; H251-T255 PolarHBondContact O-N 3.43Å; H251-T255 PolarHBondContact O-OG1 2.91Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.26Å; Q252-T255 PolarHBondContact O-OG1 2.84Å; T255-L257 VanDerWaalsContact C-N 3.32Å; T255-L257 PolarHBondContact O-N 2.87Å; T255-S258 PolarHBondContact O-N 3.39Å; T255-S258 VanDerWaalsContact O-N 3.11Å; T255-E259 WeakPolarHBondContact O-CG 3.33Å; T255-E259 PolarHBondContact O-N 2.86Å |
| 256 | A | 93.9 | Very high | 92.3 | Very high | 39 Ų | 39 | 92.8 Ų | 92.8 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q252 K260 | Q252-A256 VanDerWaalsContact O-CB 3.31Å; Q252-A256 WeakPolarHBondContact O-CB 3.24Å; Q252-A256 PolarHBondContact O-N 2.69Å; Q252-A256 VanDerWaalsContact O-N 3.07Å; A256-K260 VanDerWaalsContact O-CG 3.27Å; A256-K260 WeakPolarHBondContact O-CG 3.36Å; A256-K260 PolarHBondContact O-N 3.48Å; A256-K260 VanDerWaalsContact O-N 3.14Å |
| 257 | L | 93.8 | Very high | 92.6 | Very high | 99 Ų | 99 | 94.5 Ų | 94.5 | 52% | 0.518 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.8 | -36.8 | 174.4 | -73.8 | 173.8 | 0 | 0 | 0 | 112 | R253 I254 T255 K260 L261 | R253-L257 HydrophobicContact CG-CD1 4.06Å; R253-L257 WeakPolarHBondContact O-CB 3.49Å; R253-L257 VanDerWaalsContact O-CG 3.25Å; R253-L257 WeakPolarHBondContact O-CG 3.36Å; R253-L257 PolarHBondContact O-N 3.29Å; I254-L257 PolarHBondContact O-N 3.39Å; T255-L257 VanDerWaalsContact C-N 3.32Å; T255-L257 PolarHBondContact O-N 2.87Å; L257-K260 PolarHBondContact O-N 3.47Å; L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 PolarHBondContact O-N 3.17Å |
| 258 | S | 90.9 | Very high | 92.9 | Very high | 22 Ų | 22 | 91.9 Ų | 91.9 | 15% | 0.154 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 178 | -54 | 0 | 0 | 0 | 0 | 111.3 | Q78 I254 T255 L261 Q262 | Q78-S258 PolarHBondContact NE2-OG 2.96Å; I254-S258 WeakPolarHBondContact O-CB 3.4Å; I254-S258 PolarHBondContact O-N 2.97Å; I254-S258 PolarHBondContact O-OG 3.14Å; T255-S258 PolarHBondContact O-N 3.39Å; T255-S258 VanDerWaalsContact O-N 3.11Å; S258-L261 WeakPolarHBondContact O-CB 3.37Å; S258-L261 PolarHBondContact O-N 3.36Å; S258-Q262 WeakPolarHBondContact O-CB 3.28Å; S258-Q262 PolarHBondContact O-N 3.44Å |
| 259 | E | 93.2 | Very high | 93.1 | Very high | 115 Ų | 115 | 87.6 Ų | 87.6 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 172.9 | -73.3 | 170.8 | -169.5 | 0 | 0 | 111.8 | T255 Q262 Q263 | T255-E259 WeakPolarHBondContact O-CG 3.33Å; T255-E259 PolarHBondContact O-N 2.86Å; E259-Q262 PolarHBondContact O-N 3.39Å; E259-Q263 WeakPolarHBondContact O-CB 3.33Å; E259-Q263 VanDerWaalsContact O-CG 3.24Å; E259-Q263 WeakPolarHBondContact O-CG 3.49Å; E259-Q263 PolarHBondContact O-N 3.35Å |
| 260 | K | 95.4 | Very high | 93.3 | Very high | 127 Ų | 127 | 85.1 Ų | 85.1 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 175.1 | -75.8 | 174.3 | -176.9 | -179.5 | 0 | 111.7 | A256 L257 Q262 Q263 T264 | A256-K260 VanDerWaalsContact O-CG 3.27Å; A256-K260 WeakPolarHBondContact O-CG 3.36Å; A256-K260 PolarHBondContact O-N 3.48Å; A256-K260 VanDerWaalsContact O-N 3.14Å; L257-K260 PolarHBondContact O-N 3.47Å; K260-Q262 VanDerWaalsContact C-N 3.31Å; K260-Q262 PolarHBondContact O-N 2.9Å; K260-Q263 PolarHBondContact O-N 3.38Å; K260-T264 WeakPolarHBondContact O-CG2 3.46Å; K260-T264 PolarHBondContact O-N 3.41Å; K260-T264 PolarHBondContact O-OG1 2.91Å |
| 261 | L | 93.6 | Very high | 93.6 | Very high | 87 Ų | 87 | 85.4 Ų | 85.4 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.8 | -48.4 | 175.5 | 178.8 | 63.1 | 0 | 0 | 0 | 109.8 | L257 S258 Q263 T264 Q265 | L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 PolarHBondContact O-N 3.17Å; S258-L261 WeakPolarHBondContact O-CB 3.37Å; S258-L261 PolarHBondContact O-N 3.36Å; L261-Q263 PolarHBondContact O-N 3.48Å; L261-T264 PolarHBondContact O-N 3.27Å; L261-T264 PolarHBondContact O-OG1 2.95Å; L261-Q265 HydrophobicContact CD1-CG 4.25Å; L261-Q265 HydrophobicContact CG-CG 4.43Å; L261-Q265 WeakPolarHBondContact O-CB 3.37Å; L261-Q265 VanDerWaalsContact O-CG 3.31Å; L261-Q265 WeakPolarHBondContact O-CG 3.37Å; L261-Q265 PolarHBondContact O-N 3.29Å |
| 262 | Q | 92.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 84 Ų | 84 | 23% | 0.234 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 178.5 | -180 | 52.2 | -14.8 | 0 | 0 | 112.5 | H75 S258 E259 K260 T264 Q265 N266 | H75-Q262 PolarHBondContact CD2-OE1 3.42Å; H75-Q262 VanDerWaalsContact NE2-CD 3.28Å; H75-Q262 PolarHBondContact NE2-OE1 3.29Å; S258-Q262 WeakPolarHBondContact O-CB 3.28Å; S258-Q262 PolarHBondContact O-N 3.44Å; E259-Q262 PolarHBondContact O-N 3.39Å; K260-Q262 VanDerWaalsContact C-N 3.31Å; K260-Q262 PolarHBondContact O-N 2.9Å; Q262-T264 PolarHBondContact O-N 2.95Å; Q262-Q265 PolarHBondContact O-N 3.38Å; Q262-N266 PolarHBondContact NE2-ND2 2.88Å; Q262-N266 WeakPolarHBondContact O-CB 3.18Å; Q262-N266 VanDerWaalsContact O-CG 3.23Å; Q262-N266 PolarHBondContact O-N 2.96Å; Q262-N266 PolarHBondContact O-ND2 3.49Å |
| 263 | Q | 95.1 | Very high | 94 | Very high | 126 Ų | 126 | 82.2 Ų | 82.2 | 59% | 0.589 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.6 | -45.2 | 175.2 | -72.9 | 168.3 | 12.6 | 0 | 0 | 111.7 | E259 K260 L261 N266 L267 | E259-Q263 WeakPolarHBondContact O-CB 3.33Å; E259-Q263 VanDerWaalsContact O-CG 3.24Å; E259-Q263 WeakPolarHBondContact O-CG 3.49Å; E259-Q263 PolarHBondContact O-N 3.35Å; K260-Q263 PolarHBondContact O-N 3.38Å; L261-Q263 PolarHBondContact O-N 3.48Å; Q263-N266 PolarHBondContact O-N 2.89Å; Q263-L267 WeakPolarHBondContact O-CB 3.23Å; Q263-L267 PolarHBondContact O-N 3.15Å |
| 264 | T | 93.6 | Very high | 94 | Very high | 83 Ų | 83 | 77.5 Ų | 77.5 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 178.7 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | K260 L261 Q262 L268 | K260-T264 WeakPolarHBondContact O-CG2 3.46Å; K260-T264 PolarHBondContact O-N 3.41Å; K260-T264 PolarHBondContact O-OG1 2.91Å; L261-T264 PolarHBondContact O-N 3.27Å; L261-T264 PolarHBondContact O-OG1 2.95Å; Q262-T264 PolarHBondContact O-N 2.95Å; T264-L268 VanDerWaalsContact O-CB 3.26Å; T264-L268 WeakPolarHBondContact O-CB 3.37Å; T264-L268 PolarHBondContact O-N 3.19Å |
| 265 | Q | 92.8 | Very high | 94.2 | Very high | 48 Ų | 48 | 78.9 Ų | 78.9 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175.2 | -75.9 | 174.3 | -25.7 | 0 | 0 | 111.2 | H75 L261 Q262 L268 H269 | H75-Q265 PolarHBondContact NE2-OE1 3.45Å; L261-Q265 HydrophobicContact CD1-CG 4.25Å; L261-Q265 HydrophobicContact CG-CG 4.43Å; L261-Q265 WeakPolarHBondContact O-CB 3.37Å; L261-Q265 VanDerWaalsContact O-CG 3.31Å; L261-Q265 WeakPolarHBondContact O-CG 3.37Å; L261-Q265 PolarHBondContact O-N 3.29Å; Q262-Q265 PolarHBondContact O-N 3.38Å; Q265-L268 PolarHBondContact O-N 2.92Å; Q265-H269 WeakPolarHBondContact O-CB 3.31Å; Q265-H269 PolarHBondContact O-N 3.05Å |
| 266 | N | 93.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 77.8 Ų | 77.8 | 35% | 0.348 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 176.3 | -70.5 | -20.8 | 0 | 0 | 0 | 111.5 | Q262 Q263 L268 H269 E270 | Q262-N266 PolarHBondContact NE2-ND2 2.88Å; Q262-N266 WeakPolarHBondContact O-CB 3.18Å; Q262-N266 VanDerWaalsContact O-CG 3.23Å; Q262-N266 PolarHBondContact O-N 2.96Å; Q262-N266 PolarHBondContact O-ND2 3.49Å; Q263-N266 PolarHBondContact O-N 2.89Å; N266-L268 VanDerWaalsContact C-N 3.32Å; N266-L268 PolarHBondContact O-N 3.35Å; N266-H269 PolarHBondContact O-N 3.41Å; N266-E270 WeakPolarHBondContact O-CB 3.25Å; N266-E270 WeakPolarHBondContact O-CG 3.22Å; N266-E270 PolarHBondContact O-N 2.8Å |
| 267 | L | 96.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 80.5 Ų | 80.5 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61 | -41.9 | 177.3 | -176.8 | 66.6 | 0 | 0 | 0 | 111.6 | Q263 E270 S271 | Q263-L267 WeakPolarHBondContact O-CB 3.23Å; Q263-L267 PolarHBondContact O-N 3.15Å; L267-E270 PolarHBondContact O-N 3.27Å; L267-S271 WeakPolarHBondContact O-CB 3.26Å; L267-S271 PolarHBondContact O-N 2.83Å |
| 268 | L | 95.4 | Very high | 94.3 | Very high | 116 Ų | 116 | 82.5 Ų | 82.5 | 61% | 0.607 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 176.3 | 177.9 | 62.5 | 0 | 0 | 0 | 111.3 | T264 Q265 N266 T272 | T264-L268 VanDerWaalsContact O-CB 3.26Å; T264-L268 WeakPolarHBondContact O-CB 3.37Å; T264-L268 PolarHBondContact O-N 3.19Å; Q265-L268 PolarHBondContact O-N 2.92Å; N266-L268 VanDerWaalsContact C-N 3.32Å; N266-L268 PolarHBondContact O-N 3.35Å; L268-T272 VanDerWaalsContact O-CB 3.26Å; L268-T272 WeakPolarHBondContact O-CB 3.48Å; L268-T272 PolarHBondContact O-N 2.92Å; L268-T272 PolarHBondContact O-OG1 3.16Å |
| 269 | H | 95.1 | Very high | 94.4 | Very high | 29 Ų | 29 | 85.2 Ų | 85.2 | 13% | 0.134 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 177.1 | 173 | -84.8 | 0 | 0 | 0 | 111.2 | Q265 N266 T272 R273 | Q265-H269 WeakPolarHBondContact O-CB 3.31Å; Q265-H269 PolarHBondContact O-N 3.05Å; N266-H269 PolarHBondContact O-N 3.41Å; H269-T272 PolarHBondContact O-N 3.46Å; H269-R273 WeakPolarHBondContact O-CB 3.44Å; H269-R273 PolarHBondContact O-N 3.08Å |
| 270 | E | 95.6 | Very high | 94.1 | Very high | 91 Ų | 91 | 81.5 Ų | 81.5 | 43% | 0.425 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 177.4 | -71.9 | 174.3 | 174.9 | 0 | 0 | 111.7 | N266 L267 T272 R273 D274 | N266-E270 WeakPolarHBondContact O-CB 3.25Å; N266-E270 WeakPolarHBondContact O-CG 3.22Å; N266-E270 PolarHBondContact O-N 2.8Å; L267-E270 PolarHBondContact O-N 3.27Å; E270-T272 PolarHBondContact O-N 2.92Å; E270-R273 WeakPolarHBondContact O-CB 3.41Å; E270-R273 PolarHBondContact O-N 3.31Å; E270-D274 WeakPolarHBondContact O-CB 3.45Å; E270-D274 PolarHBondContact O-N 3.47Å |
| 271 | S | 96 | Very high | 94 | Very high | 74 Ų | 74 | 80 Ų | 80 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | L267 D274 F275 | L267-S271 WeakPolarHBondContact O-CB 3.26Å; L267-S271 PolarHBondContact O-N 2.83Å; S271-D274 PolarHBondContact O-N 3.19Å; S271-F275 VanDerWaalsContact O-CB 3.31Å; S271-F275 WeakPolarHBondContact O-CB 3.38Å; S271-F275 PolarHBondContact O-N 3.22Å |
| 272 | T | 95.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 78.5 Ų | 78.5 | 30% | 0.301 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | L64 L268 H269 E270 D274 F275 L276 | L64-T272 HydrophobicContact CD1-CG2 3.97Å; L64-T272 HydrophobicContact CD2-CG2 4.39Å; L268-T272 VanDerWaalsContact O-CB 3.26Å; L268-T272 WeakPolarHBondContact O-CB 3.48Å; L268-T272 PolarHBondContact O-N 2.92Å; L268-T272 PolarHBondContact O-OG1 3.16Å; H269-T272 PolarHBondContact O-N 3.46Å; E270-T272 PolarHBondContact O-N 2.92Å; T272-D274 PolarHBondContact O-N 2.85Å; T272-F275 PolarHBondContact O-N 3.36Å; T272-L276 HydrophobicContact CG2-CD1 4.4Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 VanDerWaalsContact O-CG 3.28Å; T272-L276 WeakPolarHBondContact O-CG 3.49Å; T272-L276 PolarHBondContact O-N 2.86Å |
| 273 | R | 95.2 | Very high | 93.6 | Very high | 86 Ų | 86 | 79.8 Ų | 79.8 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 176.1 | -175.7 | -174.6 | 66.5 | -173.7 | -8.3 | 111.2 | L64 H269 E270 L276 K277 | L64-R273 HydrophobicContact CD2-CB 3.83Å; L64-R273 HydrophobicContact CD2-CG 4.44Å; H269-R273 WeakPolarHBondContact O-CB 3.44Å; H269-R273 PolarHBondContact O-N 3.08Å; E270-R273 WeakPolarHBondContact O-CB 3.41Å; E270-R273 PolarHBondContact O-N 3.31Å; R273-L276 PolarHBondContact O-N 2.86Å; R273-K277 HydrophobicContact CG-CD 4.3Å; R273-K277 VanDerWaalsContact O-CG 3.3Å; R273-K277 WeakPolarHBondContact O-CG 3.47Å; R273-K277 PolarHBondContact O-N 2.93Å |
| 274 | D | 94.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 76.3 Ų | 76.3 | 40% | 0.401 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.5 | -35.1 | -175.8 | -63.7 | -13.7 | 0 | 0 | 0 | 111.2 | E270 S271 T272 K277 Q278 | E270-D274 WeakPolarHBondContact O-CB 3.45Å; E270-D274 PolarHBondContact O-N 3.47Å; S271-D274 PolarHBondContact O-N 3.19Å; T272-D274 PolarHBondContact O-N 2.85Å; D274-K277 PolarHBondContact O-N 3.24Å; D274-K277 IonicContact OD1-NZ 3.65Å; D274-Q278 WeakPolarHBondContact O-CB 3.26Å; D274-Q278 PolarHBondContact O-N 2.97Å |
| 275 | F | 95 | Very high | 93.3 | Very high | 120 Ų | 120 | 76.6 Ų | 76.6 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 168.9 | 172 | -101.5 | 0 | 0 | 0 | 112.2 | S271 T272 Q278 K279 | S271-F275 VanDerWaalsContact O-CB 3.31Å; S271-F275 WeakPolarHBondContact O-CB 3.38Å; S271-F275 PolarHBondContact O-N 3.22Å; T272-F275 PolarHBondContact O-N 3.36Å; F275-Q278 PolarHBondContact O-N 2.86Å; F275-K279 WeakPolarHBondContact O-CB 3.41Å; F275-K279 PolarHBondContact O-N 2.78Å |
| 276 | L | 93.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 80.2 Ų | 80.2 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 176.9 | -72.4 | 178.3 | 0 | 0 | 0 | 110.8 | L60 L61 L64 T272 R273 Q278 K279 F280 | L60-L276 HydrophobicContact CD1-CD2 4.43Å; L61-L276 HydrophobicContact CD2-CD1 4.15Å; L64-L276 HydrophobicContact CD2-CD1 4.21Å; T272-L276 HydrophobicContact CG2-CD1 4.4Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 VanDerWaalsContact O-CG 3.28Å; T272-L276 WeakPolarHBondContact O-CG 3.49Å; T272-L276 PolarHBondContact O-N 2.86Å; R273-L276 PolarHBondContact O-N 2.86Å; L276-Q278 PolarHBondContact O-N 3.42Å; L276-K279 WeakPolarHBondContact O-CB 3.43Å; L276-K279 PolarHBondContact O-N 2.97Å; L276-F280 HydrophobicContact CB-CD2 4.43Å; L276-F280 HydrophobicContact CB-CE2 3.79Å; L276-F280 HydrophobicContact CB-CZ 4.26Å; L276-F280 HydrophobicContact CD2-CE2 4.49Å; L276-F280 HydrophobicContact CD2-CZ 4.12Å; L276-F280 WeakPolarHBondContact O-CD2 3.5Å; L276-F280 WeakPolarHBondContact O-CE2 3.37Å; L276-F280 WeakPolarHBondContact O-CG 3.38Å; L276-F280 PolarHBondContact O-N 3.14Å |
| 277 | K | 93.2 | Very high | 92.8 | Very high | 95 Ų | 95 | 81.4 Ų | 81.4 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.6 | -52.3 | 174.9 | -74.9 | 172.1 | 178.1 | 175.1 | 0 | 112 | R273 D274 K279 F280 D281 | R273-K277 HydrophobicContact CG-CD 4.3Å; R273-K277 VanDerWaalsContact O-CG 3.3Å; R273-K277 WeakPolarHBondContact O-CG 3.47Å; R273-K277 PolarHBondContact O-N 2.93Å; D274-K277 PolarHBondContact O-N 3.24Å; D274-K277 IonicContact OD1-NZ 3.65Å; K277-K279 VanDerWaalsContact C-N 3.27Å; K277-K279 PolarHBondContact O-N 3.41Å; K277-F280 CarbonylContact O-C 3.58Å; K277-F280 PolarHBondContact O-N 3.48Å; K277-D281 WeakPolarHBondContact O-CB 3.34Å; K277-D281 VanDerWaalsContact O-CG 3.28Å; K277-D281 PolarHBondContact O-N 3.16Å |
| 278 | Q | 94.4 | Very high | 92.6 | Very high | 141 Ų | 141 | 78.6 Ų | 78.6 | 66% | 0.659 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | 179.9 | -172.9 | 179.7 | 20.4 | 0 | 0 | 111.9 | D274 F275 L276 F280 A282 | D274-Q278 WeakPolarHBondContact O-CB 3.26Å; D274-Q278 PolarHBondContact O-N 2.97Å; F275-Q278 PolarHBondContact O-N 2.86Å; L276-Q278 PolarHBondContact O-N 3.42Å; Q278-F280 VanDerWaalsContact C-N 3.33Å; Q278-F280 PolarHBondContact O-N 3.18Å; Q278-A282 VanDerWaalsContact O-CB 3.24Å; Q278-A282 WeakPolarHBondContact O-CB 3.46Å; Q278-A282 PolarHBondContact O-N 3.31Å |
| 279 | K | 92.2 | Very high | 92.4 | Very high | 79 Ų | 79 | 82.2 Ų | 82.2 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 176 | -174.7 | -178.7 | 178.4 | -176 | 0 | 111.9 | F275 L276 K277 R283 | F275-K279 WeakPolarHBondContact O-CB 3.41Å; F275-K279 PolarHBondContact O-N 2.78Å; L276-K279 WeakPolarHBondContact O-CB 3.43Å; L276-K279 PolarHBondContact O-N 2.97Å; K277-K279 VanDerWaalsContact C-N 3.27Å; K277-K279 PolarHBondContact O-N 3.41Å; K279-R283 WeakPolarHBondContact O-CG 3.39Å; K279-R283 PolarHBondContact O-N 3.49Å |
| 280 | F | 88.1 | Confident | 92 | Very high | 37 Ų | 37 | 84.9 Ų | 84.9 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.5 | -42.6 | 178 | -58.4 | -36.3 | 0 | 0 | 0 | 112.4 | H57 L61 L276 K277 Q278 A282 R283 A284 | H57-F280 HydrophobicContact CB-CD1 4.25Å; H57-F280 HydrophobicContact CB-CE1 3.58Å; H57-F280 HydrophobicContact CB-CE2 4.21Å; H57-F280 HydrophobicContact CB-CZ 3.51Å; H57-F280 AromaticContact CD2-CD1 3.49Å; H57-F280 VanDerWaalsContact CD2-CD1 3.49Å; H57-F280 WeakPolarHBondContact CD2-CD1 3.5Å; H57-F280 AromaticContact CD2-CE1 3.32Å; H57-F280 WeakPolarHBondContact CD2-CE1 3.35Å; H57-F280 AromaticContact CE1-CE1 3.4Å; H57-F280 WeakPolarHBondContact CE1-CE1 3.31Å; H57-F280 AromaticContact CG-CD1 3.67Å; H57-F280 AromaticContact CG-CE1 3.03Å; H57-F280 AromaticContact CG-CZ 3.51Å; H57-F280 AromaticContact ND1-CE1 3.1Å; H57-F280 WeakPolarHBondContact ND1-CE1 3.48Å; H57-F280 AromaticContact ND1-CZ 3.63Å; H57-F280 AromaticContact NE2-CD1 3.72Å; H57-F280 AromaticContact NE2-CE1 3.51Å; L61-F280 HydrophobicContact CD1-CE2 4.29Å; L61-F280 HydrophobicContact CD2-CE2 4.46Å; L61-F280 HydrophobicContact CG-CE2 4.31Å; L276-F280 HydrophobicContact CB-CD2 4.43Å; L276-F280 HydrophobicContact CB-CE2 3.79Å; L276-F280 HydrophobicContact CB-CZ 4.26Å; L276-F280 HydrophobicContact CD2-CE2 4.49Å; L276-F280 HydrophobicContact CD2-CZ 4.12Å; L276-F280 WeakPolarHBondContact O-CD2 3.5Å; L276-F280 WeakPolarHBondContact O-CE2 3.37Å; L276-F280 WeakPolarHBondContact O-CG 3.38Å; L276-F280 PolarHBondContact O-N 3.14Å; K277-F280 CarbonylContact O-C 3.58Å; K277-F280 PolarHBondContact O-N 3.48Å; Q278-F280 VanDerWaalsContact C-N 3.33Å; Q278-F280 PolarHBondContact O-N 3.18Å; F280-A282 VanDerWaalsContact C-N 3.3Å; F280-A282 PolarHBondContact O-N 3.1Å; F280-R283 CarbonylContact O-C 3.6Å; F280-R283 PolarHBondContact O-N 2.86Å; F280-R283 VanDerWaalsContact O-N 3.11Å; F280-A284 WeakPolarHBondContact O-CB 3.45Å; F280-A284 PolarHBondContact O-N 2.93Å |
| 281 | D | 92 | Very high | 91.7 | Very high | 96 Ų | 96 | 85.1 Ų | 85.1 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.1 | -65.9 | -23.2 | 0 | 0 | 0 | 110.6 | K277 R283 A284 N285 | K277-D281 WeakPolarHBondContact O-CB 3.34Å; K277-D281 VanDerWaalsContact O-CG 3.28Å; K277-D281 PolarHBondContact O-N 3.16Å; D281-R283 VanDerWaalsContact C-N 3.33Å; D281-R283 PolarHBondContact O-N 3.37Å; D281-A284 PolarHBondContact O-N 3.26Å; D281-N285 VanDerWaalsContact O-CB 3.28Å; D281-N285 WeakPolarHBondContact O-CB 3.18Å; D281-N285 PolarHBondContact O-N 2.97Å; D281-N285 PolarHBondContact O-ND2 3.08Å; D281-N285 VanDerWaalsContact O-ND2 3.15Å |
| 282 | A | 90.9 | Very high | 91.5 | Very high | 55 Ų | 55 | 87 Ų | 87 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q278 F280 E286 | Q278-A282 VanDerWaalsContact O-CB 3.24Å; Q278-A282 WeakPolarHBondContact O-CB 3.46Å; Q278-A282 PolarHBondContact O-N 3.31Å; F280-A282 VanDerWaalsContact C-N 3.3Å; F280-A282 PolarHBondContact O-N 3.1Å; A282-E286 WeakPolarHBondContact O-CB 3.4Å; A282-E286 PolarHBondContact O-N 2.69Å |
| 283 | R | 87.8 | Confident | 91.1 | Very high | 78 Ų | 78 | 91.1 Ų | 91.1 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 176.2 | -71.9 | 174.1 | -179.1 | -151.7 | -6.9 | 112.5 | H57 K279 F280 D281 N285 E286 K287 | H57-R283 PolarHBondContact CE1-NH1 2.93Å; H57-R283 PolarHBondContact NE2-NH1 3.41Å; K279-R283 WeakPolarHBondContact O-CG 3.39Å; K279-R283 PolarHBondContact O-N 3.49Å; F280-R283 CarbonylContact O-C 3.6Å; F280-R283 PolarHBondContact O-N 2.86Å; F280-R283 VanDerWaalsContact O-N 3.11Å; D281-R283 VanDerWaalsContact C-N 3.33Å; D281-R283 PolarHBondContact O-N 3.37Å; R283-N285 VanDerWaalsContact C-N 3.34Å; R283-E286 PolarHBondContact O-N 2.92Å; R283-K287 WeakPolarHBondContact O-CG 3.34Å; R283-K287 PolarHBondContact O-N 2.96Å |
| 284 | A | 89.8 | Confident | 90.7 | Very high | 53 Ų | 53 | 90 Ų | 90 | 44% | 0.438 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F280 D281 K287 S288 | F280-A284 WeakPolarHBondContact O-CB 3.45Å; F280-A284 PolarHBondContact O-N 2.93Å; D281-A284 PolarHBondContact O-N 3.26Å; A284-K287 WeakPolarHBondContact O-CB 3.25Å; A284-K287 PolarHBondContact O-N 3.06Å; A284-S288 PolarHBondContact O-N 2.86Å |
| 285 | N | 92.4 | Very high | 90.6 | Very high | 89 Ų | 89 | 93.9 Ų | 93.9 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 171.9 | -67.9 | -24 | 0 | 0 | 0 | 110.8 | D281 R283 K287 S288 W289 | D281-N285 VanDerWaalsContact O-CB 3.28Å; D281-N285 WeakPolarHBondContact O-CB 3.18Å; D281-N285 PolarHBondContact O-N 2.97Å; D281-N285 PolarHBondContact O-ND2 3.08Å; D281-N285 VanDerWaalsContact O-ND2 3.15Å; R283-N285 VanDerWaalsContact C-N 3.34Å; N285-K287 VanDerWaalsContact C-N 3.31Å; N285-K287 PolarHBondContact O-N 3.37Å; N285-S288 WeakPolarHBondContact CA-OG 3.37Å; N285-S288 PolarHBondContact O-N 3.1Å; N285-S288 VanDerWaalsContact O-N 3.1Å; N285-S288 PolarHBondContact O-OG 3.07Å; N285-W289 WeakPolarHBondContact O-CB 3.49Å; N285-W289 PolarHBondContact O-N 3.39Å |
| 286 | E | 88.9 | Confident | 90.4 | Very high | 123 Ų | 123 | 92.8 Ų | 92.8 | 58% | 0.575 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.3 | -43.6 | 175.1 | -172.6 | 179.8 | -172.5 | 0 | 0 | 111.9 | A282 R283 S288 W289 I290 | A282-E286 WeakPolarHBondContact O-CB 3.4Å; A282-E286 PolarHBondContact O-N 2.69Å; R283-E286 PolarHBondContact O-N 2.92Å; E286-S288 VanDerWaalsContact C-N 3.35Å; E286-S288 PolarHBondContact O-N 2.93Å; E286-W289 PolarHBondContact O-N 2.95Å; E286-I290 HydrophobicContact CG-CD1 4.11Å; E286-I290 VanDerWaalsContact O-CG1 3.25Å; E286-I290 WeakPolarHBondContact O-CG1 3.33Å; E286-I290 PolarHBondContact O-N 3Å |
| 287 | K | 87.8 | Confident | 90 | Very high | 91 Ų | 91 | 95.8 Ų | 95.8 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 174 | -72.1 | 174.5 | -175.8 | 178 | 0 | 111.2 | D54 R283 A284 N285 V291 | D54-K287 IonicContact OD1-NZ 3.32Å; D54-K287 PolarHBondContact OD1-NZ 3.06Å; D54-K287 IonicContact OD2-NZ 3.65Å; D54-K287 PolarHBondContact OD2-NZ 3.36Å; R283-K287 WeakPolarHBondContact O-CG 3.34Å; R283-K287 PolarHBondContact O-N 2.96Å; A284-K287 WeakPolarHBondContact O-CB 3.25Å; A284-K287 PolarHBondContact O-N 3.06Å; N285-K287 VanDerWaalsContact C-N 3.31Å; N285-K287 PolarHBondContact O-N 3.37Å; K287-V291 WeakPolarHBondContact O-CG2 3.5Å; K287-V291 PolarHBondContact O-N 3.42Å; K287-V291 VanDerWaalsContact O-N 3.16Å |
| 288 | S | 92.1 | Very high | 89.7 | Confident | 59 Ų | 59 | 98.1 Ų | 98.1 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69 | -39.9 | 179.3 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | A284 N285 E286 I290 V291 E292 | A284-S288 PolarHBondContact O-N 2.86Å; N285-S288 WeakPolarHBondContact CA-OG 3.37Å; N285-S288 PolarHBondContact O-N 3.1Å; N285-S288 VanDerWaalsContact O-N 3.1Å; N285-S288 PolarHBondContact O-OG 3.07Å; E286-S288 VanDerWaalsContact C-N 3.35Å; E286-S288 PolarHBondContact O-N 2.93Å; S288-I290 VanDerWaalsContact C-N 3.34Å; S288-I290 PolarHBondContact O-N 2.87Å; S288-V291 PolarHBondContact O-N 3.35Å; S288-E292 PolarHBondContact O-N 3.09Å |
| 289 | W | 89.8 | Confident | 89.6 | Confident | 191 Ų | 191 | 95.4 Ų | 95.4 | 72% | 0.723 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 175.8 | -79 | 53.7 | 0 | 0 | 0 | 111.9 | N285 E286 E292 K293 | N285-W289 WeakPolarHBondContact O-CB 3.49Å; N285-W289 PolarHBondContact O-N 3.39Å; E286-W289 PolarHBondContact O-N 2.95Å; W289-E292 PolarHBondContact O-N 3.34Å; W289-K293 VanDerWaalsContact O-CB 3.24Å; W289-K293 WeakPolarHBondContact O-CB 3.36Å; W289-K293 PolarHBondContact O-N 3.49Å |
| 290 | I | 86.7 | Confident | 89.4 | Confident | 85 Ų | 85 | 97 Ų | 97 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 174.3 | -69 | 165.2 | 0 | 0 | 0 | 110.4 | E286 S288 E292 K293 D294 | E286-I290 HydrophobicContact CG-CD1 4.11Å; E286-I290 VanDerWaalsContact O-CG1 3.25Å; E286-I290 WeakPolarHBondContact O-CG1 3.33Å; E286-I290 PolarHBondContact O-N 3Å; S288-I290 VanDerWaalsContact C-N 3.34Å; S288-I290 PolarHBondContact O-N 2.87Å; I290-E292 VanDerWaalsContact C-N 3.35Å; I290-E292 PolarHBondContact O-N 3.31Å; I290-K293 PolarHBondContact O-N 3.11Å; I290-D294 WeakPolarHBondContact O-CB 3.39Å; I290-D294 VanDerWaalsContact O-CG 3.31Å; I290-D294 PolarHBondContact O-N 2.85Å |
| 291 | V | 89.6 | Confident | 89.4 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | K287 S288 D294 R295 | K287-V291 WeakPolarHBondContact O-CG2 3.5Å; K287-V291 PolarHBondContact O-N 3.42Å; K287-V291 VanDerWaalsContact O-N 3.16Å; S288-V291 PolarHBondContact O-N 3.35Å; V291-D294 PolarHBondContact O-N 3.07Å; V291-R295 WeakPolarHBondContact O-CB 3.41Å; V291-R295 PolarHBondContact O-N 3.15Å |
| 292 | E | 92.6 | Very high | 89.3 | Confident | 113 Ų | 113 | 97.5 Ų | 97.5 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 177.3 | -173.7 | 170.9 | -162.7 | 0 | 0 | 111.9 | S288 W289 I290 D294 R295 L296 | S288-E292 PolarHBondContact O-N 3.09Å; W289-E292 PolarHBondContact O-N 3.34Å; I290-E292 VanDerWaalsContact C-N 3.35Å; I290-E292 PolarHBondContact O-N 3.31Å; E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.85Å; E292-R295 WeakPolarHBondContact O-CA 3.31Å; E292-R295 WeakPolarHBondContact O-CB 3.46Å; E292-R295 PolarHBondContact O-N 2.96Å; E292-R295 VanDerWaalsContact O-N 3.08Å; E292-L296 HydrophobicContact CG-CD1 4.47Å; E292-L296 WeakPolarHBondContact O-CG 3.41Å; E292-L296 PolarHBondContact O-N 2.92Å |
| 293 | K | 87 | Confident | 89.1 | Confident | 136 Ų | 136 | 97.8 Ų | 97.8 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55.6 | -48.1 | 171.7 | 178.8 | -174.3 | 173 | -177.5 | 0 | 110.9 | W289 I290 R295 L296 L297 | W289-K293 VanDerWaalsContact O-CB 3.24Å; W289-K293 WeakPolarHBondContact O-CB 3.36Å; W289-K293 PolarHBondContact O-N 3.49Å; I290-K293 PolarHBondContact O-N 3.11Å; K293-R295 VanDerWaalsContact C-N 3.27Å; K293-R295 PolarHBondContact O-N 3.33Å; K293-L296 PolarHBondContact O-N 2.96Å; K293-L297 HydrophobicContact CG-CD1 4.19Å; K293-L297 WeakPolarHBondContact O-CG 3.47Å; K293-L297 PolarHBondContact O-N 2.9Å |
| 294 | D | 86 | Confident | 89.2 | Confident | 63 Ų | 63 | 98.9 Ų | 98.9 | 34% | 0.337 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 177.3 | -77.6 | -6.1 | 0 | 0 | 0 | 111.8 | I290 V291 E292 R298 | I290-D294 WeakPolarHBondContact O-CB 3.39Å; I290-D294 VanDerWaalsContact O-CG 3.31Å; I290-D294 PolarHBondContact O-N 2.85Å; V291-D294 PolarHBondContact O-N 3.07Å; E292-D294 VanDerWaalsContact C-N 3.31Å; E292-D294 PolarHBondContact O-N 2.85Å; D294-R298 VanDerWaalsContact C-NH1 3.27Å; D294-R298 VanDerWaalsContact O-CG 3.27Å; D294-R298 WeakPolarHBondContact O-CG 3.25Å; D294-R298 PolarHBondContact O-N 2.87Å; D294-R298 VanDerWaalsContact O-N 3.08Å; D294-R298 PolarHBondContact O-NH1 2.66Å; D294-R298 IonicContact OD2-NH2 3.5Å |
| 295 | R | 92.7 | Very high | 88.9 | Confident | 156 Ų | 156 | 101.7 Ų | 101.7 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.5 | -49.2 | 174.2 | 176.9 | -173.8 | 169.9 | 176.4 | -0.5 | 111 | V291 E292 K293 L297 R298 E299 | V291-R295 WeakPolarHBondContact O-CB 3.41Å; V291-R295 PolarHBondContact O-N 3.15Å; E292-R295 WeakPolarHBondContact O-CA 3.31Å; E292-R295 WeakPolarHBondContact O-CB 3.46Å; E292-R295 PolarHBondContact O-N 2.96Å; E292-R295 VanDerWaalsContact O-N 3.08Å; K293-R295 VanDerWaalsContact C-N 3.27Å; K293-R295 PolarHBondContact O-N 3.33Å; R295-L297 VanDerWaalsContact C-N 3.32Å; R295-L297 PolarHBondContact O-N 3.29Å; R295-R298 WeakPolarHBondContact O-CB 3.02Å; R295-R298 PolarHBondContact O-N 2.86Å; R295-R298 VanDerWaalsContact O-N 3.17Å; R295-E299 IonicContact CZ-OE1 2.91Å; R295-E299 IonicContact NE-OE1 3.5Å; R295-E299 PolarHBondContact NE-OE1 3.18Å; R295-E299 IonicContact NH2-OE1 3.28Å; R295-E299 PolarHBondContact NH2-OE1 3.17Å; R295-E299 WeakPolarHBondContact O-CG 3.42Å; R295-E299 PolarHBondContact O-N 3.31Å |
| 296 | L | 90.1 | Very high | 88.7 | Confident | 96 Ų | 96 | 104.3 Ų | 104.3 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 179.1 | -68.8 | 174.3 | 0 | 0 | 0 | 112 | E292 K293 E299 L300 | E292-L296 HydrophobicContact CG-CD1 4.47Å; E292-L296 WeakPolarHBondContact O-CG 3.41Å; E292-L296 PolarHBondContact O-N 2.92Å; K293-L296 PolarHBondContact O-N 2.96Å; L296-E299 PolarHBondContact O-N 3.41Å; L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 PolarHBondContact O-N 2.98Å |
| 297 | L | 85.9 | Confident | 88.3 | Confident | 78 Ų | 78 | 103.7 Ų | 103.7 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 173.1 | -72.4 | 173.2 | 0 | 0 | 0 | 111.5 | K293 R295 E299 L300 D301 | K293-L297 HydrophobicContact CG-CD1 4.19Å; K293-L297 WeakPolarHBondContact O-CG 3.47Å; K293-L297 PolarHBondContact O-N 2.9Å; R295-L297 VanDerWaalsContact C-N 3.32Å; R295-L297 PolarHBondContact O-N 3.29Å; L297-E299 VanDerWaalsContact C-N 3.31Å; L297-E299 PolarHBondContact O-N 3.04Å; L297-L300 WeakPolarHBondContact O-CB 3.21Å; L297-L300 PolarHBondContact O-N 2.93Å; L297-D301 VanDerWaalsContact O-CG 3.28Å; L297-D301 PolarHBondContact O-N 2.7Å |
| 298 | R | 87.9 | Confident | 87.8 | Confident | 145 Ų | 145 | 104 Ų | 104 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 174.7 | -70.1 | 176.2 | -161.8 | 103 | 2.5 | 112.5 | D294 R295 S302 | D294-R298 VanDerWaalsContact C-NH1 3.27Å; D294-R298 VanDerWaalsContact O-CG 3.27Å; D294-R298 WeakPolarHBondContact O-CG 3.25Å; D294-R298 PolarHBondContact O-N 2.87Å; D294-R298 VanDerWaalsContact O-N 3.08Å; D294-R298 PolarHBondContact O-NH1 2.66Å; D294-R298 IonicContact OD2-NH2 3.5Å; R295-R298 WeakPolarHBondContact O-CB 3.02Å; R295-R298 PolarHBondContact O-N 2.86Å; R295-R298 VanDerWaalsContact O-N 3.17Å; R298-S302 WeakPolarHBondContact O-CB 3.42Å; R298-S302 PolarHBondContact O-N 3.48Å; R298-S302 PolarHBondContact O-OG 3.32Å |
| 299 | E | 91.4 | Very high | 86.9 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.3 | -71.6 | 176.5 | -168.3 | 0 | 0 | 111.2 | R295 L296 L297 S302 C303 | R295-E299 IonicContact CZ-OE1 2.91Å; R295-E299 IonicContact NE-OE1 3.5Å; R295-E299 PolarHBondContact NE-OE1 3.18Å; R295-E299 IonicContact NH2-OE1 3.28Å; R295-E299 PolarHBondContact NH2-OE1 3.17Å; R295-E299 WeakPolarHBondContact O-CG 3.42Å; R295-E299 PolarHBondContact O-N 3.31Å; L296-E299 PolarHBondContact O-N 3.41Å; L297-E299 VanDerWaalsContact C-N 3.31Å; L297-E299 PolarHBondContact O-N 3.04Å; E299-S302 WeakPolarHBondContact O-CB 3.43Å; E299-S302 PolarHBondContact O-N 3.24Å; E299-C303 PolarHBondContact O-N 2.91Å; E299-C303 PolarHBondContact O-SG 3.29Å; E299-C303 VanDerWaalsContact O-SG 3.38Å |
| 300 | L | 89.1 | Confident | 86.2 | Confident | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -46.9 | 174.4 | -175.4 | 67.7 | 0 | 0 | 0 | 111.9 | L296 L297 S302 C303 H304 | L296-L300 WeakPolarHBondContact O-CB 3.39Å; L296-L300 PolarHBondContact O-N 2.98Å; L297-L300 WeakPolarHBondContact O-CB 3.21Å; L297-L300 PolarHBondContact O-N 2.93Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 3.49Å; L300-C303 CarbonylContact O-C 3.6Å; L300-C303 WeakPolarHBondContact O-CB 3.44Å; L300-C303 PolarHBondContact O-N 3.31Å; L300-C303 VanDerWaalsContact O-N 3.14Å; L300-H304 WeakPolarHBondContact O-CB 3.27Å; L300-H304 PolarHBondContact O-N 3.46Å |
| 301 | D | 86.9 | Confident | 85.4 | Confident | 89 Ų | 89 | 103.7 Ų | 103.7 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 174.9 | -70.3 | -23.4 | 0 | 0 | 0 | 110.9 | L297 H304 H305 | L297-D301 VanDerWaalsContact O-CG 3.28Å; L297-D301 PolarHBondContact O-N 2.7Å; D301-H304 PolarHBondContact O-N 2.9Å; D301-H305 WeakPolarHBondContact O-CB 3.34Å; D301-H305 PolarHBondContact O-N 3.02Å; D301-H305 PolarHBondContact O-ND1 3.36Å |
| 302 | S | 90.1 | Very high | 84.3 | Confident | 56 Ų | 56 | 102.3 Ų | 102.3 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 176 | -62 | 0 | 0 | 0 | 0 | 112.1 | R298 E299 L300 R306 | R298-S302 WeakPolarHBondContact O-CB 3.42Å; R298-S302 PolarHBondContact O-N 3.48Å; R298-S302 PolarHBondContact O-OG 3.32Å; E299-S302 WeakPolarHBondContact O-CB 3.43Å; E299-S302 PolarHBondContact O-N 3.24Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 3.49Å; S302-R306 WeakPolarHBondContact O-CG 3.49Å; S302-R306 PolarHBondContact O-N 3.14Å |
| 303 | C | 87.2 | Confident | 82.9 | Confident | 60 Ų | 60 | 106.5 Ų | 106.5 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 171.9 | -75.5 | 0 | 0 | 0 | 0 | 111.6 | E299 L300 R306 L307 | E299-C303 PolarHBondContact O-N 2.91Å; E299-C303 PolarHBondContact O-SG 3.29Å; E299-C303 VanDerWaalsContact O-SG 3.38Å; L300-C303 CarbonylContact O-C 3.6Å; L300-C303 WeakPolarHBondContact O-CB 3.44Å; L300-C303 PolarHBondContact O-N 3.31Å; L300-C303 VanDerWaalsContact O-N 3.14Å; C303-R306 WeakPolarHBondContact O-CB 3.45Å; C303-R306 PolarHBondContact O-N 2.92Å; C303-R306 VanDerWaalsContact O-N 3.12Å; C303-R306 PolarHBondContact SG-NH2 3.47Å; C303-L307 PolarHBondContact O-N 3.04Å |
| 304 | H | 88.5 | Confident | 81.4 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 178.1 | -172.7 | 79 | 0 | 0 | 0 | 111.2 | L300 D301 R306 L307 M308 | L300-H304 WeakPolarHBondContact O-CB 3.27Å; L300-H304 PolarHBondContact O-N 3.46Å; D301-H304 PolarHBondContact O-N 2.9Å; H304-R306 VanDerWaalsContact C-N 3.29Å; H304-R306 PolarHBondContact O-N 2.94Å; H304-L307 PolarHBondContact O-N 3.34Å; H304-L307 VanDerWaalsContact O-N 3.16Å; H304-M308 WeakPolarHBondContact O-CB 3.39Å; H304-M308 WeakPolarHBondContact O-CG 3.41Å; H304-M308 PolarHBondContact O-N 3.01Å |
| 305 | H | 83.7 | Confident | 79.8 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 173.9 | -68.7 | 158.8 | 0 | 0 | 0 | 113.3 | D301 R309 | D301-H305 WeakPolarHBondContact O-CB 3.34Å; D301-H305 PolarHBondContact O-N 3.02Å; D301-H305 PolarHBondContact O-ND1 3.36Å; H305-R309 WeakPolarHBondContact O-CB 3.47Å; H305-R309 VanDerWaalsContact O-CG 3.26Å; H305-R309 WeakPolarHBondContact O-CG 3.15Å; H305-R309 PolarHBondContact O-N 3.24Å; H305-R309 VanDerWaalsContact O-N 3.16Å; H305-R309 PolarHBondContact O-NE 2.9Å; H305-R309 VanDerWaalsContact O-NE 3.08Å |
| 306 | R | 88.1 | Confident | 77.8 | Confident | 144 Ų | 144 | 104.8 Ų | 104.8 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 171.4 | -77.5 | -173.6 | -66.2 | -122.6 | 2.6 | 111.4 | S302 C303 H304 R309 A310 | S302-R306 WeakPolarHBondContact O-CG 3.49Å; S302-R306 PolarHBondContact O-N 3.14Å; C303-R306 WeakPolarHBondContact O-CB 3.45Å; C303-R306 PolarHBondContact O-N 2.92Å; C303-R306 VanDerWaalsContact O-N 3.12Å; C303-R306 PolarHBondContact SG-NH2 3.47Å; H304-R306 VanDerWaalsContact C-N 3.29Å; H304-R306 PolarHBondContact O-N 2.94Å; R306-R309 PolarHBondContact O-N 2.99Å; R306-A310 PolarHBondContact O-N 2.97Å |
| 307 | L | 81.5 | Confident | 75.9 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -44.1 | 178.7 | -172.4 | 126.3 | 0 | 0 | 0 | 112 | C303 H304 R309 A310 K311 | C303-L307 PolarHBondContact O-N 3.04Å; H304-L307 PolarHBondContact O-N 3.34Å; H304-L307 VanDerWaalsContact O-N 3.16Å; L307-R309 VanDerWaalsContact C-N 3.33Å; L307-R309 PolarHBondContact O-N 3.28Å; L307-A310 PolarHBondContact O-N 3.46Å; L307-A310 VanDerWaalsContact O-N 3.12Å; L307-K311 WeakPolarHBondContact O-CB 3.22Å; L307-K311 PolarHBondContact O-N 3.37Å |
| 308 | M | 76.6 | Confident | 73.9 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 174.8 | -68.5 | -62.6 | -87.1 | 0 | 0 | 111.9 | H304 A312 | H304-M308 WeakPolarHBondContact O-CB 3.39Å; H304-M308 WeakPolarHBondContact O-CG 3.41Å; H304-M308 PolarHBondContact O-N 3.01Å; M308-A312 WeakPolarHBondContact O-CB 3.37Å; M308-A312 PolarHBondContact O-N 3.47Å |
| 309 | R | 74.4 | Confident | 71.7 | Confident | 153 Ų | 153 | 107.5 Ų | 107.5 | 58% | 0.577 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -34.5 | 171.4 | -80.5 | -176.2 | -72.1 | -178.9 | -3.2 | 113.1 | H305 R306 L307 R313 | H305-R309 WeakPolarHBondContact O-CB 3.47Å; H305-R309 VanDerWaalsContact O-CG 3.26Å; H305-R309 WeakPolarHBondContact O-CG 3.15Å; H305-R309 PolarHBondContact O-N 3.24Å; H305-R309 VanDerWaalsContact O-N 3.16Å; H305-R309 PolarHBondContact O-NE 2.9Å; H305-R309 VanDerWaalsContact O-NE 3.08Å; R306-R309 PolarHBondContact O-N 2.99Å; L307-R309 VanDerWaalsContact C-N 3.33Å; L307-R309 PolarHBondContact O-N 3.28Å; R309-R313 VanDerWaalsContact O-CG 3.3Å; R309-R313 WeakPolarHBondContact O-CG 3.42Å; R309-R313 PolarHBondContact O-N 3.35Å |
| 310 | A | 74.3 | Confident | 69.4 | Low | 55 Ų | 55 | 109.6 Ų | 109.6 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.2 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | R306 L307 R313 F314 | R306-A310 PolarHBondContact O-N 2.97Å; L307-A310 PolarHBondContact O-N 3.46Å; L307-A310 VanDerWaalsContact O-N 3.12Å; A310-R313 WeakPolarHBondContact O-CB 3.35Å; A310-R313 PolarHBondContact O-N 2.92Å; A310-R313 VanDerWaalsContact O-N 3.13Å; A310-F314 PolarHBondContact O-N 3Å |
| 311 | K | 70.4 | Confident | 67.1 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 52% | 0.517 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -43.1 | 175.4 | -168.7 | 175 | -179.3 | -179.5 | 0 | 112 | L307 R313 F314 D315 | L307-K311 WeakPolarHBondContact O-CB 3.22Å; L307-K311 PolarHBondContact O-N 3.37Å; K311-R313 PolarHBondContact O-N 3.22Å; K311-F314 PolarHBondContact O-N 3.48Å; K311-D315 PolarHBondContact O-N 3.43Å |
| 312 | A | 66.9 | Low | 64.4 | Low | 68 Ų | 68 | 116.7 Ų | 116.7 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62 | -24.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | M308 | M308-A312 WeakPolarHBondContact O-CB 3.37Å; M308-A312 PolarHBondContact O-N 3.47Å |
| 313 | R | 62.1 | Low | 61.5 | Low | 202 Ų | 202 | 126 Ų | 126 | 76% | 0.762 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.9 | -26.9 | 171.4 | -70 | 174.2 | -167.6 | -166.9 | 2.4 | 112.9 | R309 A310 K311 | R309-R313 VanDerWaalsContact O-CG 3.3Å; R309-R313 WeakPolarHBondContact O-CG 3.42Å; R309-R313 PolarHBondContact O-N 3.35Å; A310-R313 WeakPolarHBondContact O-CB 3.35Å; A310-R313 PolarHBondContact O-N 2.92Å; A310-R313 VanDerWaalsContact O-N 3.13Å; K311-R313 PolarHBondContact O-N 3.22Å |
| 314 | F | 55.4 | Low | 58.8 | Low | 142 Ų | 142 | 131.2 Ų | 131.2 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81.7 | -42.7 | 178.3 | -128.5 | -89.8 | 0 | 0 | 0 | 111.8 | A310 K311 G316 A317 E318 | A310-F314 PolarHBondContact O-N 3Å; K311-F314 PolarHBondContact O-N 3.48Å; F314-G316 PolarHBondContact O-N 2.94Å; F314-A317 PolarHBondContact O-N 2.99Å; F314-E318 PolarHBondContact O-N 3.02Å |
| 315 | D | 52.4 | Low | 56.6 | Low | 106 Ų | 106 | 132.5 Ų | 132.5 | 57% | 0.567 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -19 | 175.7 | -67.7 | -20.1 | 0 | 0 | 0 | 112.2 | K311 A317 | K311-D315 PolarHBondContact O-N 3.43Å; D315-A317 VanDerWaalsContact C-N 3.31Å |
| 316 | G | 51.6 | Low | 54.2 | Low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -9.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F314 | F314-G316 PolarHBondContact O-N 2.94Š|
| 317 | A | 49.4 | Very low | 51.7 | Low | 75 Ų | 75 | 131.2 Ų | 131.2 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F314 D315 | F314-A317 PolarHBondContact O-N 2.99Å; D315-A317 VanDerWaalsContact C-N 3.31Å |
| 318 | E | 43 | Very low | 49.6 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | trans | -104.4 | 67.1 | 178.4 | -69.8 | -164.4 | 168.9 | 0 | 0 | 112.8 | F314 | F314-E318 PolarHBondContact O-N 3.02Š| ||
| 319 | L | 42.8 | Very low | 47.6 | Very low | 162 Ų | 162 | 138 Ų | 138 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -124 | 51.6 | 154.4 | -164.2 | 81.3 | 0 | 0 | 0 | 110.1 | ||
| 320 | T | 43 | Very low | 46.1 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 176.8 | 88.1 | 155.3 | 40.3 | 0 | 0 | 0 | 0 | 110 | ||
| 321 | R | 39.9 | Very low | 44.2 | Very low | 243 Ų | 243 | 139.6 Ų | 139.6 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | -167.5 | 109.3 | 135.1 | -112.5 | 169.4 | -142.8 | 165.1 | 7.7 | 111.4 | ||||
| 322 | S | 31.3 | Very low | 43.1 | Very low | 105 Ų | 105 | 142 Ų | 142 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -47.9 | 133.3 | 166.4 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 323 | W | 28.7 | Very low | 41.7 | Very low | 252 Ų | 252 | 147.9 Ų | 147.9 | 96% | 0.955 | 78% | 0.782 | S | S | * | * | trans | -57.1 | 134.6 | 159.1 | -78.7 | 42.6 | 0 | 0 | 0 | 110.7 | ||||
| 324 | Q | 31.3 | Very low | 41 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -132.6 | 127.5 | 156.3 | -83 | -168 | -35.6 | 0 | 0 | 109.2 | ||||
| 325 | P | 42.6 | Very low | 40.5 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -91.9 | 115 | 169.5 | 32.1 | -24.6 | 0 | 0 | 0 | 109.3 | ||||
| 326 | S | 32.2 | Very low | 40.1 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -118 | 97.6 | 170.8 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 327 | S | 36.1 | Very low | 39.9 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -83.4 | 124.2 | 158.8 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 328 | S | 36.7 | Very low | 39.7 | Very low | 119 Ų | 119 | 152.8 Ų | 152.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -156.5 | 107.1 | 156.4 | -79.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 329 | R | 36 | Very low | 40.3 | Very low | 233 Ų | 233 | 150.8 Ų | 150.8 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | 9.7 | 126.4 | 150.5 | -111.3 | 171.6 | -179.9 | 179.4 | -0.8 | 120.2 | ||||
| 330 | S | 43.1 | Very low | 41 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -12.6 | 129.3 | 150.9 | -40.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 331 | V | 33.6 | Very low | 41.8 | Very low | 127 Ų | 127 | 148 Ų | 148 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -127 | 120.6 | 147.2 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | F333 | V331-F333 PolarHBondContact O-N 3.28Š| ||
| 332 | L | 46.4 | Very low | 42.9 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | trans | -59.2 | 119.7 | 174.9 | -72.5 | 152.1 | 0 | 0 | 0 | 109.9 | ||||
| 333 | F | 37.4 | Very low | 44.8 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.833 | 74% | 0.74 | S | S | * | * | trans | -123.5 | 111.8 | 158.5 | -108.1 | -91.4 | 0 | 0 | 0 | 107.7 | V331 P335 | V331-F333 PolarHBondContact O-N 3.28Å; F333-P335 WeakPolarHBondContact O-CD 3.47Å | ||
| 334 | L | 48.5 | Very low | 47 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -73.4 | 117.9 | 170.4 | -151.9 | 81.4 | 0 | 0 | 0 | 107.3 | ||||
| 335 | P | 43.7 | Very low | 49.2 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 71% | 0.705 | S | S | * | * | trans | -85.5 | 123.1 | 172 | -3.6 | 23.3 | 0 | 0 | 0 | 109.5 | F333 | F333-P335 WeakPolarHBondContact O-CD 3.47Š| ||
| 336 | Q | 44.6 | Very low | 51.1 | Low | 169 Ų | 169 | 127 Ų | 127 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | trans | -38.9 | 142.6 | 158.2 | -166.5 | 167.4 | -13.8 | 0 | 0 | 112.1 | Q338 | Q336-Q338 PolarHBondContact O-N 3.48Š| ||
| 337 | P | 46.8 | Very low | 53.6 | Low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -65.1 | 109.8 | -171.5 | 24.3 | -31.3 | 0 | 0 | 0 | 110.9 | ||||
| 338 | Q | 45.3 | Very low | 56.1 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 58% | 0.575 | 67% | 0.666 | S | S | * | * | trans | -85.3 | 124.7 | 171.2 | -68 | -146.2 | -21 | 0 | 0 | 109.9 | Q336 E340 L341 | Q336-Q338 PolarHBondContact O-N 3.48Å; Q338-E340 PolarHBondContact O-N 3.35Å; Q338-L341 HydrophobicContact CB-CD1 4.37Å | ||
| 339 | P | 57.4 | Low | 58.4 | Low | 97 Ų | 97 | 129.2 Ų | 129.2 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58.6 | -31.8 | 176.7 | -24.9 | 35.1 | 0 | 0 | 0 | 113.5 | S342 D343 | P339-S342 WeakPolarHBondContact O-CB 3.45Å; P339-S342 PolarHBondContact O-N 2.91Å; P339-D343 PolarHBondContact O-N 2.96Å; P339-D343 VanDerWaalsContact O-N 3.17Å |
| 340 | E | 55.6 | Low | 61 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 67% | 0.668 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70 | -36.4 | -174 | -61.4 | -170.5 | 170.4 | 0 | 0 | 113.5 | Q338 S342 D343 Q344 | Q338-E340 PolarHBondContact O-N 3.35Å; E340-S342 VanDerWaalsContact C-N 3.33Å; E340-D343 PolarHBondContact O-N 2.89Å; E340-Q344 WeakPolarHBondContact O-CG 3.26Å; E340-Q344 PolarHBondContact O-N 3.45Å; E340-Q344 VanDerWaalsContact O-N 3.14Å |
| 341 | L | 59.7 | Low | 63.3 | Low | 88 Ų | 88 | 121.5 Ų | 121.5 | 46% | 0.461 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.3 | -34 | 174.1 | -67.8 | 172.3 | 0 | 0 | 0 | 111.5 | Q338 D343 H345 | Q338-L341 HydrophobicContact CB-CD1 4.37Å; L341-D343 VanDerWaalsContact C-N 3.31Å; L341-D343 PolarHBondContact O-N 3.4Å; L341-H345 PolarHBondContact O-CD2 3.02Å; L341-H345 VanDerWaalsContact O-CG 3.32Å; L341-H345 PolarHBondContact O-N 3.48Å |
| 342 | S | 63.2 | Low | 66.1 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 39% | 0.385 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.5 | -33.7 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 112 | P339 E340 K346 | P339-S342 WeakPolarHBondContact O-CB 3.45Å; P339-S342 PolarHBondContact O-N 2.91Å; E340-S342 VanDerWaalsContact C-N 3.33Å; S342-K346 VanDerWaalsContact O-CG 3.24Å; S342-K346 WeakPolarHBondContact O-CG 3.36Å; S342-K346 PolarHBondContact O-N 3.45Å; S342-K346 WeakPolarHBondContact OG-CE 3.43Å |
| 343 | D | 72.1 | Confident | 68.4 | Low | 78 Ų | 78 | 118 Ų | 118 | 42% | 0.417 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -78.2 | -36.4 | 179.1 | -72.7 | -21.7 | 0 | 0 | 0 | 111.6 | P339 E340 L341 H345 K346 E347 | P339-D343 PolarHBondContact O-N 2.96Å; P339-D343 VanDerWaalsContact O-N 3.17Å; E340-D343 PolarHBondContact O-N 2.89Å; L341-D343 VanDerWaalsContact C-N 3.31Å; L341-D343 PolarHBondContact O-N 3.4Å; D343-H345 PolarHBondContact O-N 3.47Å; D343-K346 WeakPolarHBondContact O-CB 3.35Å; D343-K346 PolarHBondContact O-N 2.82Å; D343-K346 VanDerWaalsContact O-N 3.15Å; D343-K346 IonicContact OD1-NZ 3.86Å; D343-K346 PolarHBondContact OD1-NZ 2.86Å; D343-E347 WeakPolarHBondContact O-CG 3.2Å; D343-E347 PolarHBondContact O-N 3.22Å |
| 344 | Q | 75.3 | Confident | 71 | Confident | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.2 | -46.1 | 169.5 | -71.6 | 176 | -3.5 | 0 | 0 | 112.2 | E340 K346 E347 E348 | E340-Q344 WeakPolarHBondContact O-CG 3.26Å; E340-Q344 PolarHBondContact O-N 3.45Å; E340-Q344 VanDerWaalsContact O-N 3.14Å; Q344-K346 VanDerWaalsContact C-N 3.27Å; Q344-K346 PolarHBondContact O-N 3.3Å; Q344-E347 PolarHBondContact O-N 3.06Å; Q344-E347 VanDerWaalsContact O-N 3.14Å; Q344-E348 WeakPolarHBondContact O-CG 3.45Å; Q344-E348 PolarHBondContact O-N 2.88Å |
| 345 | H | 77 | Confident | 73.2 | Confident | 114 Ų | 114 | 108.8 Ų | 108.8 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.6 | -29.4 | 175.8 | -69.8 | -43.3 | 0 | 0 | 0 | 113.6 | L341 D343 E348 K349 | L341-H345 PolarHBondContact O-CD2 3.02Å; L341-H345 VanDerWaalsContact O-CG 3.32Å; L341-H345 PolarHBondContact O-N 3.48Å; D343-H345 PolarHBondContact O-N 3.47Å; H345-E348 IonicContact CE1-OE2 3.07Å; H345-E348 IonicContact ND1-OE2 2.76Å; H345-E348 PolarHBondContact ND1-OE2 2.87Å; H345-E348 VanDerWaalsContact ND1-OE2 3.07Å; H345-K349 WeakPolarHBondContact O-CB 3.26Å; H345-K349 PolarHBondContact O-N 3.34Å |
| 346 | K | 82.5 | Confident | 75.7 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.7 | -38.3 | 173.1 | -73.6 | 169 | -162.5 | 158.6 | 0 | 111.5 | S342 D343 Q344 K350 | S342-K346 VanDerWaalsContact O-CG 3.24Å; S342-K346 WeakPolarHBondContact O-CG 3.36Å; S342-K346 PolarHBondContact O-N 3.45Å; S342-K346 WeakPolarHBondContact OG-CE 3.43Å; D343-K346 WeakPolarHBondContact O-CB 3.35Å; D343-K346 PolarHBondContact O-N 2.82Å; D343-K346 VanDerWaalsContact O-N 3.15Å; D343-K346 IonicContact OD1-NZ 3.86Å; D343-K346 PolarHBondContact OD1-NZ 2.86Å; Q344-K346 VanDerWaalsContact C-N 3.27Å; Q344-K346 PolarHBondContact O-N 3.3Å; K346-K350 WeakPolarHBondContact O-CG 3.27Å; K346-K350 PolarHBondContact O-N 3.17Å |
| 347 | E | 85.5 | Confident | 78.1 | Confident | 133 Ų | 133 | 105.9 Ų | 105.9 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -45.3 | 176.3 | -71.8 | 179.6 | 175 | 0 | 0 | 111.6 | D343 Q344 K349 K350 A351 | D343-E347 WeakPolarHBondContact O-CG 3.2Å; D343-E347 PolarHBondContact O-N 3.22Å; Q344-E347 PolarHBondContact O-N 3.06Å; Q344-E347 VanDerWaalsContact O-N 3.14Å; E347-K349 VanDerWaalsContact C-N 3.31Å; E347-K349 PolarHBondContact O-N 2.79Å; E347-K350 WeakPolarHBondContact O-CB 3.47Å; E347-K350 PolarHBondContact O-N 2.71Å; E347-K350 VanDerWaalsContact O-N 3.12Å; E347-A351 PolarHBondContact O-N 2.92Å |
| 348 | E | 86.8 | Confident | 80.4 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 172.7 | -71.3 | 172.7 | 165.2 | 0 | 0 | 111.5 | Q344 H345 K350 A351 L352 | Q344-E348 WeakPolarHBondContact O-CG 3.45Å; Q344-E348 PolarHBondContact O-N 2.88Å; H345-E348 IonicContact CE1-OE2 3.07Å; H345-E348 IonicContact ND1-OE2 2.76Å; H345-E348 PolarHBondContact ND1-OE2 2.87Å; H345-E348 VanDerWaalsContact ND1-OE2 3.07Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 2.91Å; E348-A351 PolarHBondContact O-N 3.41Å; E348-L352 WeakPolarHBondContact O-CB 3.31Å; E348-L352 WeakPolarHBondContact O-CG 3.24Å; E348-L352 PolarHBondContact O-N 3.38Å |
| 349 | K | 85.9 | Confident | 82.8 | Confident | 151 Ų | 151 | 102.8 Ų | 102.8 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 176.7 | -173.3 | 176.1 | -179.7 | 178.3 | 0 | 112.4 | H345 E347 Q353 | H345-K349 WeakPolarHBondContact O-CB 3.26Å; H345-K349 PolarHBondContact O-N 3.34Å; E347-K349 VanDerWaalsContact C-N 3.31Å; E347-K349 PolarHBondContact O-N 2.79Å; K349-Q353 VanDerWaalsContact O-CB 3.26Å; K349-Q353 WeakPolarHBondContact O-CB 3.25Å; K349-Q353 PolarHBondContact O-N 2.95Å |
| 350 | K | 91.2 | Very high | 84.6 | Confident | 134 Ų | 134 | 103.7 Ų | 103.7 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.4 | -44.5 | 174.7 | -76.9 | 174.6 | -178.9 | 178.4 | 0 | 111.5 | K346 E347 E348 Q353 D354 | K346-K350 WeakPolarHBondContact O-CG 3.27Å; K346-K350 PolarHBondContact O-N 3.17Å; E347-K350 WeakPolarHBondContact O-CB 3.47Å; E347-K350 PolarHBondContact O-N 2.71Å; E347-K350 VanDerWaalsContact O-N 3.12Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 2.91Å; K350-Q353 WeakPolarHBondContact O-CB 3.43Å; K350-Q353 PolarHBondContact O-N 3.47Å; K350-Q353 VanDerWaalsContact O-N 3.14Å; K350-D354 PolarHBondContact O-N 3.21Å |
| 351 | A | 91 | Very high | 86.6 | Confident | 52 Ų | 52 | 103.4 Ų | 103.4 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E347 E348 Q353 D354 D355 | E347-A351 PolarHBondContact O-N 2.92Å; E348-A351 PolarHBondContact O-N 3.41Å; A351-Q353 VanDerWaalsContact C-N 3.28Å; A351-Q353 PolarHBondContact O-N 3.45Å; A351-D354 PolarHBondContact O-N 3.45Å; A351-D354 VanDerWaalsContact O-N 3.11Å; A351-D355 PolarHBondContact O-N 3.33Å |
| 352 | L | 92.3 | Very high | 88.3 | Confident | 121 Ų | 121 | 103.3 Ų | 103.3 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -35.9 | 174.9 | -71 | 173 | 0 | 0 | 0 | 112.7 | E348 L356 | E348-L352 WeakPolarHBondContact O-CB 3.31Å; E348-L352 WeakPolarHBondContact O-CG 3.24Å; E348-L352 PolarHBondContact O-N 3.38Å; L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 PolarHBondContact O-N 3.14Å |
| 353 | Q | 94.1 | Very high | 89.8 | Confident | 101 Ų | 101 | 103.3 Ų | 103.3 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 176.5 | -171.3 | 176.4 | 5.7 | 0 | 0 | 112.1 | K349 K350 A351 K357 | K349-Q353 VanDerWaalsContact O-CB 3.26Å; K349-Q353 WeakPolarHBondContact O-CB 3.25Å; K349-Q353 PolarHBondContact O-N 2.95Å; K350-Q353 WeakPolarHBondContact O-CB 3.43Å; K350-Q353 PolarHBondContact O-N 3.47Å; K350-Q353 VanDerWaalsContact O-N 3.14Å; A351-Q353 VanDerWaalsContact C-N 3.28Å; A351-Q353 PolarHBondContact O-N 3.45Å; Q353-K357 VanDerWaalsContact O-CG 3.31Å; Q353-K357 WeakPolarHBondContact O-CG 3.12Å; Q353-K357 PolarHBondContact O-N 3.3Å; Q353-K357 VanDerWaalsContact O-N 3.14Å |
| 354 | D | 93.6 | Very high | 91 | Very high | 73 Ų | 73 | 104 Ų | 104 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.3 | -37.4 | 176.4 | -69.7 | -23.4 | 0 | 0 | 0 | 111.7 | K350 A351 L356 K357 Q358 | K350-D354 PolarHBondContact O-N 3.21Å; A351-D354 PolarHBondContact O-N 3.45Å; A351-D354 VanDerWaalsContact O-N 3.11Å; D354-L356 VanDerWaalsContact C-N 3.33Å; D354-L356 PolarHBondContact O-N 2.86Å; D354-K357 PolarHBondContact O-N 3.46Å; D354-K357 IonicContact OD1-NZ 3.26Å; D354-K357 PolarHBondContact OD1-NZ 3.35Å; D354-Q358 WeakPolarHBondContact O-CG 3.07Å; D354-Q358 PolarHBondContact O-N 3.48Å |
| 355 | D | 94.6 | Very high | 92 | Very high | 92 Ų | 92 | 104 Ų | 104 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 170.4 | -71.3 | -13.1 | 0 | 0 | 0 | 111.2 | A351 K357 Q358 A359 | A351-D355 PolarHBondContact O-N 3.33Å; D355-K357 VanDerWaalsContact C-N 3.34Å; D355-K357 PolarHBondContact O-N 3.14Å; D355-Q358 PolarHBondContact O-N 3.47Å; D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 3.05Å |
| 356 | L | 95.4 | Very high | 93 | Very high | 125 Ų | 125 | 103.9 Ų | 103.9 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | 174.3 | -172 | 92.6 | 0 | 0 | 0 | 111.5 | L352 D354 A359 H360 | L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 PolarHBondContact O-N 3.14Å; D354-L356 VanDerWaalsContact C-N 3.33Å; D354-L356 PolarHBondContact O-N 2.86Å; L356-A359 PolarHBondContact O-N 2.89Å; L356-H360 WeakPolarHBondContact O-CB 3.33Å; L356-H360 PolarHBondContact O-N 3.49Å |
| 357 | K | 95.3 | Very high | 93.7 | Very high | 97 Ų | 97 | 107.7 Ų | 107.7 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 177.1 | -71.4 | 169.7 | -161.9 | 154.8 | 0 | 111.7 | Q353 D354 D355 H360 K361 | Q353-K357 VanDerWaalsContact O-CG 3.31Å; Q353-K357 WeakPolarHBondContact O-CG 3.12Å; Q353-K357 PolarHBondContact O-N 3.3Å; Q353-K357 VanDerWaalsContact O-N 3.14Å; D354-K357 PolarHBondContact O-N 3.46Å; D354-K357 IonicContact OD1-NZ 3.26Å; D354-K357 PolarHBondContact OD1-NZ 3.35Å; D355-K357 VanDerWaalsContact C-N 3.34Å; D355-K357 PolarHBondContact O-N 3.14Å; K357-H360 PolarHBondContact O-N 3.32Å; K357-K361 WeakPolarHBondContact O-CG 3.4Å; K357-K361 PolarHBondContact O-N 2.86Å |
| 358 | Q | 94.9 | Very high | 94.3 | Very high | 125 Ų | 125 | 107.4 Ų | 107.4 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -44.5 | 177.4 | -70.6 | 176.1 | 32.5 | 0 | 0 | 111.1 | D354 D355 H360 K361 L362 | D354-Q358 WeakPolarHBondContact O-CG 3.07Å; D354-Q358 PolarHBondContact O-N 3.48Å; D355-Q358 PolarHBondContact O-N 3.47Å; Q358-H360 VanDerWaalsContact C-N 3.32Å; Q358-H360 PolarHBondContact O-N 3.49Å; Q358-K361 PolarHBondContact O-N 3.36Å; Q358-L362 WeakPolarHBondContact O-CB 3.1Å; Q358-L362 PolarHBondContact O-N 3.03Å |
| 359 | A | 94.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 106.9 Ų | 106.9 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D355 L356 L362 A363 | D355-A359 WeakPolarHBondContact O-CB 3.49Å; D355-A359 PolarHBondContact O-N 3.05Å; L356-A359 PolarHBondContact O-N 2.89Å; A359-L362 PolarHBondContact O-N 3.37Å; A359-A363 WeakPolarHBondContact O-CB 3.21Å; A359-A363 PolarHBondContact O-N 3.06Å |
| 360 | H | 95.8 | Very high | 95.2 | Very high | 116 Ų | 116 | 103.1 Ų | 103.1 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 176.9 | -164.2 | 64 | 0 | 0 | 0 | 112 | L356 K357 Q358 L362 A363 E364 | L356-H360 WeakPolarHBondContact O-CB 3.33Å; L356-H360 PolarHBondContact O-N 3.49Å; K357-H360 PolarHBondContact O-N 3.32Å; Q358-H360 VanDerWaalsContact C-N 3.32Å; Q358-H360 PolarHBondContact O-N 3.49Å; H360-L362 VanDerWaalsContact C-N 3.32Å; H360-L362 PolarHBondContact O-N 2.87Å; H360-A363 WeakPolarHBondContact O-CB 3.32Å; H360-A363 PolarHBondContact O-N 3.32Å; H360-A363 VanDerWaalsContact O-N 3.17Å; H360-E364 IonicContact CD2-OE1 3.93Å; H360-E364 IonicContact NE2-OE1 2.81Å; H360-E364 PolarHBondContact NE2-OE1 3.37Å; H360-E364 WeakPolarHBondContact O-CG 3.5Å; H360-E364 PolarHBondContact O-N 2.98Å |
| 361 | K | 97 | Very high | 95.5 | Very high | 136 Ų | 136 | 100.8 Ų | 100.8 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.8 | -42.7 | 175.5 | -73.5 | 173.7 | -179.8 | -178.2 | 0 | 112.3 | K357 Q358 A363 E364 M365 | K357-K361 WeakPolarHBondContact O-CG 3.4Å; K357-K361 PolarHBondContact O-N 2.86Å; Q358-K361 PolarHBondContact O-N 3.36Å; K361-A363 VanDerWaalsContact C-N 3.34Å; K361-E364 PolarHBondContact O-N 3.18Å; K361-M365 WeakPolarHBondContact O-CG 3.39Å; K361-M365 PolarHBondContact O-N 3.28Å |
| 362 | L | 96.3 | Very high | 95.8 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 177.8 | -175.2 | 64.1 | 0 | 0 | 0 | 111.2 | Q358 A359 H360 M365 F366 | Q358-L362 WeakPolarHBondContact O-CB 3.1Å; Q358-L362 PolarHBondContact O-N 3.03Å; A359-L362 PolarHBondContact O-N 3.37Å; H360-L362 VanDerWaalsContact C-N 3.32Å; H360-L362 PolarHBondContact O-N 2.87Å; L362-M365 HydrophobicContact CD1-CE 4.36Å; L362-M365 PolarHBondContact O-N 3.42Å; L362-F366 HydrophobicContact CD1-CD2 4.11Å; L362-F366 HydrophobicContact CD1-CE2 3.52Å; L362-F366 HydrophobicContact CD1-CZ 4.01Å; L362-F366 HydrophobicContact CD2-CE2 3.98Å; L362-F366 HydrophobicContact CG-CD2 3.87Å; L362-F366 HydrophobicContact CG-CE2 3.48Å; L362-F366 VanDerWaalsContact CG-CE2 3.48Å; L362-F366 HydrophobicContact CG-CZ 4.43Å; L362-F366 WeakPolarHBondContact O-CD2 3.41Å; L362-F366 PolarHBondContact O-N 3.07Å |
| 363 | A | 95.6 | Very high | 96 | Very high | 56 Ų | 56 | 100.4 Ų | 100.4 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A359 H360 K361 F366 R367 | A359-A363 WeakPolarHBondContact O-CB 3.21Å; A359-A363 PolarHBondContact O-N 3.06Å; H360-A363 WeakPolarHBondContact O-CB 3.32Å; H360-A363 PolarHBondContact O-N 3.32Å; H360-A363 VanDerWaalsContact O-N 3.17Å; K361-A363 VanDerWaalsContact C-N 3.34Å; A363-F366 PolarHBondContact O-N 3.12Å; A363-R367 VanDerWaalsContact O-CB 3.29Å; A363-R367 WeakPolarHBondContact O-CB 3.33Å; A363-R367 PolarHBondContact O-N 2.77Å |
| 364 | E | 96.6 | Very high | 96.1 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 173.3 | -74 | 176.4 | 153.8 | 0 | 0 | 111.1 | H360 K361 F366 R367 E368 | H360-E364 IonicContact CD2-OE1 3.93Å; H360-E364 IonicContact NE2-OE1 2.81Å; H360-E364 PolarHBondContact NE2-OE1 3.37Å; H360-E364 WeakPolarHBondContact O-CG 3.5Å; H360-E364 PolarHBondContact O-N 2.98Å; K361-E364 PolarHBondContact O-N 3.18Å; E364-F366 PolarHBondContact O-N 3.21Å; E364-R367 WeakPolarHBondContact O-CB 3.47Å; E364-R367 PolarHBondContact O-N 2.9Å; E364-R367 VanDerWaalsContact O-N 3.15Å; E364-E368 WeakPolarHBondContact O-CG 3.49Å; E364-E368 PolarHBondContact O-N 3.06Å |
| 365 | M | 96.9 | Very high | 96.2 | Very high | 104 Ų | 104 | 102 Ų | 102 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.7 | -68.7 | -150.6 | -46.8 | 0 | 0 | 112.6 | K361 L362 R367 E368 Q369 | K361-M365 WeakPolarHBondContact O-CG 3.39Å; K361-M365 PolarHBondContact O-N 3.28Å; L362-M365 HydrophobicContact CD1-CE 4.36Å; L362-M365 PolarHBondContact O-N 3.42Å; M365-R367 VanDerWaalsContact C-N 3.32Å; M365-R367 PolarHBondContact O-N 2.91Å; M365-E368 PolarHBondContact O-N 2.99Å; M365-Q369 VanDerWaalsContact O-CG 3.3Å; M365-Q369 WeakPolarHBondContact O-CG 3.28Å; M365-Q369 PolarHBondContact O-N 2.94Å |
| 366 | F | 96.9 | Very high | 96.4 | Very high | 113 Ų | 113 | 102.4 Ų | 102.4 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -35.3 | 176.3 | -74.9 | -52.7 | 0 | 0 | 0 | 112.3 | L362 A363 E364 Q369 C370 | L362-F366 HydrophobicContact CD1-CD2 4.11Å; L362-F366 HydrophobicContact CD1-CE2 3.52Å; L362-F366 HydrophobicContact CD1-CZ 4.01Å; L362-F366 HydrophobicContact CD2-CE2 3.98Å; L362-F366 HydrophobicContact CG-CD2 3.87Å; L362-F366 HydrophobicContact CG-CE2 3.48Å; L362-F366 VanDerWaalsContact CG-CE2 3.48Å; L362-F366 HydrophobicContact CG-CZ 4.43Å; L362-F366 WeakPolarHBondContact O-CD2 3.41Å; L362-F366 PolarHBondContact O-N 3.07Å; A363-F366 PolarHBondContact O-N 3.12Å; E364-F366 PolarHBondContact O-N 3.21Å; F366-Q369 PolarHBondContact O-N 3.35Å; F366-C370 PolarHBondContact O-N 2.98Å; F366-C370 PolarHBondContact O-SG 3.42Å |
| 367 | R | 97.6 | Very high | 96.4 | Very high | 187 Ų | 187 | 101 Ų | 101 | 71% | 0.706 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 175.5 | -171.7 | 179.3 | -177.7 | 136.7 | 2.3 | 111.4 | A363 E364 M365 C370 I371 | A363-R367 VanDerWaalsContact O-CB 3.29Å; A363-R367 WeakPolarHBondContact O-CB 3.33Å; A363-R367 PolarHBondContact O-N 2.77Å; E364-R367 WeakPolarHBondContact O-CB 3.47Å; E364-R367 PolarHBondContact O-N 2.9Å; E364-R367 VanDerWaalsContact O-N 3.15Å; M365-R367 VanDerWaalsContact C-N 3.32Å; M365-R367 PolarHBondContact O-N 2.91Å; R367-C370 PolarHBondContact O-N 3.33Å; R367-I371 HydrophobicContact CG-CD1 4.19Å; R367-I371 VanDerWaalsContact O-CG1 3.27Å; R367-I371 WeakPolarHBondContact O-CG1 3.26Å; R367-I371 PolarHBondContact O-N 3.37Å |
| 368 | E | 96.9 | Very high | 96.4 | Very high | 126 Ų | 126 | 99 Ų | 99 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 174.2 | -72.9 | 176.1 | 176.1 | 0 | 0 | 111.2 | E364 M365 C370 I371 T372 | E364-E368 WeakPolarHBondContact O-CG 3.49Å; E364-E368 PolarHBondContact O-N 3.06Å; M365-E368 PolarHBondContact O-N 2.99Å; E368-C370 VanDerWaalsContact C-N 3.34Å; E368-C370 PolarHBondContact O-N 2.9Å; E368-I371 PolarHBondContact O-N 3.48Å; E368-I371 VanDerWaalsContact O-N 3.14Å; E368-T372 WeakPolarHBondContact O-CG2 3.45Å; E368-T372 PolarHBondContact O-N 3.2Å; E368-T372 PolarHBondContact O-OG1 3.04Å |
| 369 | Q | 96.9 | Very high | 96.5 | Very high | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 175.5 | -73.8 | 174.9 | -0.7 | 0 | 0 | 112.8 | M365 F366 I371 T372 L373 | M365-Q369 VanDerWaalsContact O-CG 3.3Å; M365-Q369 WeakPolarHBondContact O-CG 3.28Å; M365-Q369 PolarHBondContact O-N 2.94Å; F366-Q369 PolarHBondContact O-N 3.35Å; Q369-I371 VanDerWaalsContact C-N 3.35Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.35Å; Q369-T372 PolarHBondContact O-N 2.98Å; Q369-T372 PolarHBondContact O-OG1 3.29Å; Q369-L373 WeakPolarHBondContact O-CB 3.48Å; Q369-L373 VanDerWaalsContact O-CG 3.27Å; Q369-L373 WeakPolarHBondContact O-CG 3.12Å; Q369-L373 PolarHBondContact O-N 2.94Å |
| 370 | C | 95.9 | Very high | 96.5 | Very high | 71 Ų | 71 | 100.4 Ų | 100.4 | 48% | 0.48 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.1 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | F366 R367 E368 L373 E374 | F366-C370 PolarHBondContact O-N 2.98Å; F366-C370 PolarHBondContact O-SG 3.42Å; R367-C370 PolarHBondContact O-N 3.33Å; E368-C370 VanDerWaalsContact C-N 3.34Å; E368-C370 PolarHBondContact O-N 2.9Å; C370-L373 PolarHBondContact O-N 2.97Å; C370-E374 WeakPolarHBondContact O-CB 3.29Å; C370-E374 VanDerWaalsContact O-CG 3.3Å; C370-E374 WeakPolarHBondContact O-CG 3.39Å; C370-E374 PolarHBondContact O-N 3.41Å |
| 371 | I | 97.3 | Very high | 96.5 | Very high | 85 Ų | 85 | 102.9 Ų | 102.9 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 178 | -67.4 | 163.6 | 0 | 0 | 0 | 110.5 | R367 E368 Q369 L373 E374 T375 | R367-I371 HydrophobicContact CG-CD1 4.19Å; R367-I371 VanDerWaalsContact O-CG1 3.27Å; R367-I371 WeakPolarHBondContact O-CG1 3.26Å; R367-I371 PolarHBondContact O-N 3.37Å; E368-I371 PolarHBondContact O-N 3.48Å; E368-I371 VanDerWaalsContact O-N 3.14Å; Q369-I371 VanDerWaalsContact C-N 3.35Å; I371-L373 PolarHBondContact O-N 2.87Å; I371-E374 PolarHBondContact O-N 3.39Å; I371-T375 HydrophobicContact CG2-CG2 4.47Å; I371-T375 WeakPolarHBondContact O-CG2 3.44Å; I371-T375 PolarHBondContact O-N 3.44Å; I371-T375 PolarHBondContact O-OG1 3.4Å |
| 372 | T | 96.6 | Very high | 96.5 | Very high | 67 Ų | 67 | 102.6 Ų | 102.6 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | E368 Q369 E374 T375 E376 | E368-T372 WeakPolarHBondContact O-CG2 3.45Å; E368-T372 PolarHBondContact O-N 3.2Å; E368-T372 PolarHBondContact O-OG1 3.04Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.35Å; Q369-T372 PolarHBondContact O-N 2.98Å; Q369-T372 PolarHBondContact O-OG1 3.29Å; T372-E374 VanDerWaalsContact C-N 3.34Å; T372-E374 PolarHBondContact O-N 2.86Å; T372-T375 WeakPolarHBondContact CA-OG1 3.39Å; T372-T375 PolarHBondContact O-N 3.23Å; T372-T375 PolarHBondContact O-OG1 3.29Å; T372-E376 WeakPolarHBondContact O-CG 3.36Å; T372-E376 PolarHBondContact O-N 3Å |
| 373 | L | 96.6 | Very high | 96.4 | Very high | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 177.7 | -69.5 | 172.4 | 0 | 0 | 0 | 112.2 | Q369 C370 I371 T375 E376 L377 | Q369-L373 WeakPolarHBondContact O-CB 3.48Å; Q369-L373 VanDerWaalsContact O-CG 3.27Å; Q369-L373 WeakPolarHBondContact O-CG 3.12Å; Q369-L373 PolarHBondContact O-N 2.94Å; C370-L373 PolarHBondContact O-N 2.97Å; I371-L373 PolarHBondContact O-N 2.87Å; L373-T375 VanDerWaalsContact C-N 3.35Å; L373-E376 PolarHBondContact O-N 3.49Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.31Å; L373-L377 PolarHBondContact O-N 2.89Å |
| 374 | E | 96.7 | Very high | 96.4 | Very high | 127 Ų | 127 | 102.6 Ų | 102.6 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -38.3 | 174.1 | -77 | 176.6 | 177.3 | 0 | 0 | 112.1 | C370 I371 T372 S378 | C370-E374 WeakPolarHBondContact O-CB 3.29Å; C370-E374 VanDerWaalsContact O-CG 3.3Å; C370-E374 WeakPolarHBondContact O-CG 3.39Å; C370-E374 PolarHBondContact O-N 3.41Å; I371-E374 PolarHBondContact O-N 3.39Å; T372-E374 VanDerWaalsContact C-N 3.34Å; T372-E374 PolarHBondContact O-N 2.86Å; E374-S378 WeakPolarHBondContact O-CB 3.46Å; E374-S378 PolarHBondContact O-N 3.46Å; E374-S378 PolarHBondContact O-OG 3.21Å |
| 375 | T | 96.4 | Very high | 96.3 | Very high | 80 Ų | 80 | 102 Ų | 102 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 174.8 | 56.6 | 0 | 0 | 0 | 0 | 112 | I371 T372 L373 L377 S378 Q379 | I371-T375 HydrophobicContact CG2-CG2 4.47Å; I371-T375 WeakPolarHBondContact O-CG2 3.44Å; I371-T375 PolarHBondContact O-N 3.44Å; I371-T375 PolarHBondContact O-OG1 3.4Å; T372-T375 WeakPolarHBondContact CA-OG1 3.39Å; T372-T375 PolarHBondContact O-N 3.23Å; T372-T375 PolarHBondContact O-OG1 3.29Å; L373-T375 VanDerWaalsContact C-N 3.35Å; T375-L377 PolarHBondContact O-N 2.97Å; T375-S378 PolarHBondContact O-N 2.9Å; T375-Q379 WeakPolarHBondContact O-CB 3.34Å; T375-Q379 PolarHBondContact O-N 2.91Å |
| 376 | E | 97.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 101 Ų | 101 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.6 | -71.9 | 172.7 | -172.6 | 0 | 0 | 111.2 | T372 L373 S378 Q379 I380 | T372-E376 WeakPolarHBondContact O-CG 3.36Å; T372-E376 PolarHBondContact O-N 3Å; L373-E376 PolarHBondContact O-N 3.49Å; E376-S378 VanDerWaalsContact C-N 3.31Å; E376-S378 PolarHBondContact O-N 2.98Å; E376-Q379 PolarHBondContact O-N 3.49Å; E376-I380 VanDerWaalsContact O-CG1 3.25Å; E376-I380 WeakPolarHBondContact O-CG1 2.97Å; E376-I380 PolarHBondContact O-N 3.44Å |
| 377 | L | 96.1 | Very high | 96.1 | Very high | 96 Ų | 96 | 96.7 Ų | 96.7 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 174.7 | -75.9 | 175.7 | 0 | 0 | 0 | 112.4 | L373 T375 R381 | L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.31Å; L373-L377 PolarHBondContact O-N 2.89Å; T375-L377 PolarHBondContact O-N 2.97Å; L377-R381 VanDerWaalsContact O-CG 3.24Å; L377-R381 WeakPolarHBondContact O-CG 3.47Å; L377-R381 PolarHBondContact O-N 3.44Å; L377-R381 VanDerWaalsContact O-N 3.11Å |
| 378 | S | 94.9 | Very high | 96 | Very high | 54 Ų | 54 | 94.8 Ų | 94.8 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | E374 T375 E376 R381 E382 | E374-S378 WeakPolarHBondContact O-CB 3.46Å; E374-S378 PolarHBondContact O-N 3.46Å; E374-S378 PolarHBondContact O-OG 3.21Å; T375-S378 PolarHBondContact O-N 2.9Å; E376-S378 VanDerWaalsContact C-N 3.31Å; E376-S378 PolarHBondContact O-N 2.98Å; S378-R381 WeakPolarHBondContact O-CB 3.19Å; S378-R381 PolarHBondContact O-N 2.84Å; S378-E382 WeakPolarHBondContact O-CG 3.19Å; S378-E382 PolarHBondContact O-N 3.45Å |
| 379 | Q | 96.8 | Very high | 95.9 | Very high | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.2 | -174.7 | 177.9 | -6.2 | 0 | 0 | 112 | T375 E376 R381 E382 E383 | T375-Q379 WeakPolarHBondContact O-CB 3.34Å; T375-Q379 PolarHBondContact O-N 2.91Å; E376-Q379 PolarHBondContact O-N 3.49Å; Q379-R381 VanDerWaalsContact C-N 3.25Å; Q379-R381 PolarHBondContact O-N 3.47Å; Q379-E382 PolarHBondContact O-N 3.19Å; Q379-E383 HydrophobicContact CG-CG 4.41Å; Q379-E383 WeakPolarHBondContact CG-OE1 3.47Å; Q379-E383 PolarHBondContact NE2-OE1 2.98Å; Q379-E383 WeakPolarHBondContact O-CB 3.35Å; Q379-E383 WeakPolarHBondContact O-CG 3.43Å; Q379-E383 PolarHBondContact O-N 3Å |
| 380 | I | 95.4 | Very high | 95.8 | Very high | 110 Ų | 110 | 93.7 Ų | 93.7 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.3 | -37.4 | 176.9 | -68.8 | 165.4 | 0 | 0 | 0 | 111.2 | E376 G384 | E376-I380 VanDerWaalsContact O-CG1 3.25Å; E376-I380 WeakPolarHBondContact O-CG1 2.97Å; E376-I380 PolarHBondContact O-N 3.44Å; I380-G384 PolarHBondContact O-N 3.42Å |
| 381 | R | 96.6 | Very high | 95.8 | Very high | 168 Ų | 168 | 97.2 Ų | 97.2 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -48.2 | 176.2 | -74.8 | 170.3 | -177.3 | -177.1 | 3.4 | 111.4 | L377 S378 Q379 G384 D385 | L377-R381 VanDerWaalsContact O-CG 3.24Å; L377-R381 WeakPolarHBondContact O-CG 3.47Å; L377-R381 PolarHBondContact O-N 3.44Å; L377-R381 VanDerWaalsContact O-N 3.11Å; S378-R381 WeakPolarHBondContact O-CB 3.19Å; S378-R381 PolarHBondContact O-N 2.84Å; Q379-R381 VanDerWaalsContact C-N 3.25Å; Q379-R381 PolarHBondContact O-N 3.47Å; R381-G384 CarbonylContact O-C 3.6Å; R381-G384 WeakPolarHBondContact O-CA 3.2Å; R381-G384 PolarHBondContact O-N 3.28Å; R381-D385 PolarHBondContact O-N 3.49Å |
| 382 | E | 95.5 | Very high | 95.8 | Very high | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 178.2 | -72 | 176.8 | -173.4 | 0 | 0 | 111.7 | S378 Q379 G384 D385 V386 | S378-E382 WeakPolarHBondContact O-CG 3.19Å; S378-E382 PolarHBondContact O-N 3.45Å; Q379-E382 PolarHBondContact O-N 3.19Å; E382-G384 VanDerWaalsContact C-N 3.27Å; E382-G384 PolarHBondContact O-N 3.42Å; E382-D385 PolarHBondContact O-N 3.36Å; E382-D385 VanDerWaalsContact O-N 3.15Å; E382-V386 WeakPolarHBondContact O-CG2 3.3Å; E382-V386 PolarHBondContact O-N 3.26Å |
| 383 | E | 94.9 | Very high | 95.8 | Very high | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 174.8 | -72.1 | 176.1 | -172.6 | 0 | 0 | 111.5 | Q379 G387 | Q379-E383 HydrophobicContact CG-CG 4.41Å; Q379-E383 WeakPolarHBondContact CG-OE1 3.47Å; Q379-E383 PolarHBondContact NE2-OE1 2.98Å; Q379-E383 WeakPolarHBondContact O-CB 3.35Å; Q379-E383 WeakPolarHBondContact O-CG 3.43Å; Q379-E383 PolarHBondContact O-N 3Å; E383-G387 PolarHBondContact O-N 2.84Å |
| 384 | G | 94.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 104.9 Ų | 104.9 | 27% | 0.268 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I380 R381 E382 R388 | I380-G384 PolarHBondContact O-N 3.42Å; R381-G384 CarbonylContact O-C 3.6Å; R381-G384 WeakPolarHBondContact O-CA 3.2Å; R381-G384 PolarHBondContact O-N 3.28Å; E382-G384 VanDerWaalsContact C-N 3.27Å; E382-G384 PolarHBondContact O-N 3.42Å; G384-R388 WeakPolarHBondContact O-CG 3.46Å; G384-R388 PolarHBondContact O-N 2.9Å; G384-R388 PolarHBondContact O-NH1 3.39Å |
| 385 | D | 95.1 | Very high | 95.7 | Very high | 79 Ų | 79 | 102.4 Ų | 102.4 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -48.3 | 175.9 | -83 | -44.1 | 0 | 0 | 0 | 111.7 | R381 E382 G387 R388 E389 | R381-D385 PolarHBondContact O-N 3.49Å; E382-D385 PolarHBondContact O-N 3.36Å; E382-D385 VanDerWaalsContact O-N 3.15Å; D385-G387 VanDerWaalsContact C-N 3.28Å; D385-G387 PolarHBondContact O-N 2.97Å; D385-R388 WeakPolarHBondContact O-CB 3.34Å; D385-R388 PolarHBondContact O-N 3.49Å; D385-R388 VanDerWaalsContact O-N 3.1Å; D385-R388 IonicContact OD1-CZ 2.83Å; D385-R388 VanDerWaalsContact OD1-CZ 3.29Å; D385-R388 IonicContact OD1-NE 2.65Å; D385-R388 PolarHBondContact OD1-NE 2.85Å; D385-R388 IonicContact OD1-NH2 3.33Å; D385-R388 PolarHBondContact OD1-NH2 3.2Å; D385-R388 IonicContact OD2-NH2 3.79Å; D385-E389 WeakPolarHBondContact O-CG 3.47Å; D385-E389 PolarHBondContact O-N 2.89Å |
| 386 | V | 96 | Very high | 95.7 | Very high | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | E382 R388 E389 I390 | E382-V386 WeakPolarHBondContact O-CG2 3.3Å; E382-V386 PolarHBondContact O-N 3.26Å; V386-R388 PolarHBondContact O-N 3.25Å; V386-E389 PolarHBondContact O-N 3.19Å; V386-I390 HydrophobicContact CG1-CD1 3.87Å; V386-I390 VanDerWaalsContact O-CG1 3.3Å; V386-I390 WeakPolarHBondContact O-CG1 3.37Å; V386-I390 PolarHBondContact O-N 3.01Å |
| 387 | G | 93.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 103.5 Ų | 103.5 | 25% | 0.247 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E383 D385 E389 I390 F391 | E383-G387 PolarHBondContact O-N 2.84Å; D385-G387 VanDerWaalsContact C-N 3.28Å; D385-G387 PolarHBondContact O-N 2.97Å; G387-E389 PolarHBondContact O-N 3.35Å; G387-I390 PolarHBondContact O-N 2.87Å; G387-F391 WeakPolarHBondContact O-CD2 3.36Å; G387-F391 PolarHBondContact O-N 3.47Å |
| 388 | R | 96.1 | Very high | 95.6 | Very high | 146 Ų | 146 | 105 Ų | 105 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.3 | -43.3 | 176.8 | -78 | -174.5 | -73 | -86.9 | 13 | 112.3 | G384 D385 V386 F391 K392 | G384-R388 WeakPolarHBondContact O-CG 3.46Å; G384-R388 PolarHBondContact O-N 2.9Å; G384-R388 PolarHBondContact O-NH1 3.39Å; D385-R388 WeakPolarHBondContact O-CB 3.34Å; D385-R388 PolarHBondContact O-N 3.49Å; D385-R388 VanDerWaalsContact O-N 3.1Å; D385-R388 IonicContact OD1-CZ 2.83Å; D385-R388 VanDerWaalsContact OD1-CZ 3.29Å; D385-R388 IonicContact OD1-NE 2.65Å; D385-R388 PolarHBondContact OD1-NE 2.85Å; D385-R388 IonicContact OD1-NH2 3.33Å; D385-R388 PolarHBondContact OD1-NH2 3.2Å; D385-R388 IonicContact OD2-NH2 3.79Å; V386-R388 PolarHBondContact O-N 3.25Å; R388-F391 PolarHBondContact O-N 2.86Å; R388-K392 WeakPolarHBondContact O-CB 3.48Å; R388-K392 PolarHBondContact O-N 2.97Å |
| 389 | E | 95.6 | Very high | 95.6 | Very high | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 177.9 | -72.1 | -175 | 166.8 | 0 | 0 | 111.9 | D385 V386 G387 F391 K392 E393 | D385-E389 WeakPolarHBondContact O-CG 3.47Å; D385-E389 PolarHBondContact O-N 2.89Å; V386-E389 PolarHBondContact O-N 3.19Å; G387-E389 PolarHBondContact O-N 3.35Å; E389-F391 VanDerWaalsContact C-N 3.34Å; E389-F391 PolarHBondContact O-N 3.41Å; E389-K392 WeakPolarHBondContact O-CB 3.27Å; E389-K392 PolarHBondContact O-N 3.01Å; E389-E393 PolarHBondContact O-N 2.91Å |
| 390 | I | 94.8 | Very high | 95.7 | Very high | 73 Ų | 73 | 106.7 Ų | 106.7 | 37% | 0.374 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 176.6 | -66.9 | 165.7 | 0 | 0 | 0 | 111.1 | V386 G387 E393 R394 | V386-I390 HydrophobicContact CG1-CD1 3.87Å; V386-I390 VanDerWaalsContact O-CG1 3.3Å; V386-I390 WeakPolarHBondContact O-CG1 3.37Å; V386-I390 PolarHBondContact O-N 3.01Å; G387-I390 PolarHBondContact O-N 2.87Å; I390-E393 PolarHBondContact O-N 3.44Å; I390-R394 WeakPolarHBondContact O-CB 3.29Å; I390-R394 VanDerWaalsContact O-CG 3.29Å; I390-R394 WeakPolarHBondContact O-CG 3.48Å; I390-R394 PolarHBondContact O-N 3.4Å |
| 391 | F | 94.1 | Very high | 95.7 | Very high | 144 Ų | 144 | 110.3 Ų | 110.3 | 63% | 0.632 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 176.3 | -78.4 | -63.6 | 0 | 0 | 0 | 111.9 | G387 R388 E389 R394 S395 | G387-F391 WeakPolarHBondContact O-CD2 3.36Å; G387-F391 PolarHBondContact O-N 3.47Å; R388-F391 PolarHBondContact O-N 2.86Å; E389-F391 VanDerWaalsContact C-N 3.34Å; E389-F391 PolarHBondContact O-N 3.41Å; F391-R394 PolarHBondContact O-N 3.07Å; F391-S395 WeakPolarHBondContact O-CB 3.25Å; F391-S395 PolarHBondContact O-N 3.27Å |
| 392 | K | 97.7 | Very high | 95.7 | Very high | 143 Ų | 143 | 107.9 Ų | 107.9 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 176.3 | -171.2 | 178.6 | 179.1 | -176.4 | 0 | 111.3 | R388 E389 R394 S395 D396 | R388-K392 WeakPolarHBondContact O-CB 3.48Å; R388-K392 PolarHBondContact O-N 2.97Å; E389-K392 WeakPolarHBondContact O-CB 3.27Å; E389-K392 PolarHBondContact O-N 3.01Å; K392-R394 PolarHBondContact O-N 3.24Å; K392-S395 WeakPolarHBondContact O-CB 3.45Å; K392-S395 PolarHBondContact O-N 3.25Å; K392-D396 VanDerWaalsContact O-CG 3.31Å; K392-D396 PolarHBondContact O-N 2.91Å |
| 393 | E | 97.1 | Very high | 95.7 | Very high | 108 Ų | 108 | 107.3 Ų | 107.3 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.7 | -77.3 | -164.5 | -173.7 | 0 | 0 | 113.2 | E389 I390 S395 D396 K397 | E389-E393 PolarHBondContact O-N 2.91Å; I390-E393 PolarHBondContact O-N 3.44Å; E393-S395 VanDerWaalsContact C-N 3.33Å; E393-D396 PolarHBondContact O-N 3.34Å; E393-K397 WeakPolarHBondContact O-CB 3.24Å; E393-K397 VanDerWaalsContact O-CG 3.27Å; E393-K397 WeakPolarHBondContact O-CG 3.05Å; E393-K397 PolarHBondContact O-N 3.27Å; E393-K397 IonicContact OE2-NZ 2.99Å; E393-K397 PolarHBondContact OE2-NZ 2.8Å |
| 394 | R | 96.1 | Very high | 95.8 | Very high | 161 Ų | 161 | 105.7 Ų | 105.7 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -41.6 | 177.7 | -74 | 175.6 | -179.1 | -177.7 | 2 | 110.8 | I390 F391 K392 K397 M398 | I390-R394 WeakPolarHBondContact O-CB 3.29Å; I390-R394 VanDerWaalsContact O-CG 3.29Å; I390-R394 WeakPolarHBondContact O-CG 3.48Å; I390-R394 PolarHBondContact O-N 3.4Å; F391-R394 PolarHBondContact O-N 3.07Å; K392-R394 PolarHBondContact O-N 3.24Å; R394-K397 PolarHBondContact O-N 3.17Å; R394-M398 WeakPolarHBondContact O-CB 3.35Å; R394-M398 PolarHBondContact O-N 3.39Å |
| 395 | S | 94.1 | Very high | 95.8 | Very high | 75 Ų | 75 | 108.2 Ų | 108.2 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | F391 K392 E393 K397 M398 A399 | F391-S395 WeakPolarHBondContact O-CB 3.25Å; F391-S395 PolarHBondContact O-N 3.27Å; K392-S395 WeakPolarHBondContact O-CB 3.45Å; K392-S395 PolarHBondContact O-N 3.25Å; E393-S395 VanDerWaalsContact C-N 3.33Å; S395-K397 PolarHBondContact O-N 2.92Å; S395-M398 PolarHBondContact O-N 3.49Å; S395-A399 WeakPolarHBondContact O-CB 3.42Å; S395-A399 PolarHBondContact O-N 3.35Å |
| 396 | D | 97.5 | Very high | 95.9 | Very high | 76 Ų | 76 | 107.5 Ų | 107.5 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 179.5 | -70.5 | -16.8 | 0 | 0 | 0 | 112.1 | K392 E393 A399 K400 | K392-D396 VanDerWaalsContact O-CG 3.31Å; K392-D396 PolarHBondContact O-N 2.91Å; E393-D396 PolarHBondContact O-N 3.34Å; D396-A399 PolarHBondContact O-N 3.33Å; D396-K400 WeakPolarHBondContact O-CB 3.32Å; D396-K400 VanDerWaalsContact O-CG 3.29Å; D396-K400 WeakPolarHBondContact O-CG 3.28Å; D396-K400 PolarHBondContact O-N 3.11Å |
| 397 | K | 97.8 | Very high | 95.9 | Very high | 128 Ų | 128 | 108.5 Ų | 108.5 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 174.3 | -75.4 | 166.4 | -177.6 | 156.7 | 0 | 111.3 | E393 R394 S395 R401 | E393-K397 WeakPolarHBondContact O-CB 3.24Å; E393-K397 VanDerWaalsContact O-CG 3.27Å; E393-K397 WeakPolarHBondContact O-CG 3.05Å; E393-K397 PolarHBondContact O-N 3.27Å; E393-K397 IonicContact OE2-NZ 2.99Å; E393-K397 PolarHBondContact OE2-NZ 2.8Å; R394-K397 PolarHBondContact O-N 3.17Å; S395-K397 PolarHBondContact O-N 2.92Å; K397-R401 PolarHBondContact O-N 3.15Å |
| 398 | M | 93.1 | Very high | 96.1 | Very high | 126 Ų | 126 | 114.9 Ų | 114.9 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 176.3 | -171.9 | 67.4 | 80 | 0 | 0 | 111.5 | R394 S395 K400 R401 L402 | R394-M398 WeakPolarHBondContact O-CB 3.35Å; R394-M398 PolarHBondContact O-N 3.39Å; S395-M398 PolarHBondContact O-N 3.49Å; M398-K400 PolarHBondContact O-N 3.42Å; M398-R401 PolarHBondContact O-N 2.82Å; M398-L402 WeakPolarHBondContact O-CB 3.44Å; M398-L402 PolarHBondContact O-N 2.8Å |
| 399 | A | 95.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 115.1 Ų | 115.1 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S395 D396 R401 L402 Q403 | S395-A399 WeakPolarHBondContact O-CB 3.42Å; S395-A399 PolarHBondContact O-N 3.35Å; D396-A399 PolarHBondContact O-N 3.33Å; A399-R401 PolarHBondContact O-N 2.89Å; A399-L402 PolarHBondContact O-N 3.4Å; A399-Q403 WeakPolarHBondContact O-CB 3.49Å; A399-Q403 PolarHBondContact O-N 2.61Å |
| 400 | K | 97.8 | Very high | 96.2 | Very high | 144 Ų | 144 | 113.9 Ų | 113.9 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 174.3 | -73.2 | 172.3 | -176.5 | 176.6 | 0 | 112.1 | D396 M398 Q403 L404 | D396-K400 WeakPolarHBondContact O-CB 3.32Å; D396-K400 VanDerWaalsContact O-CG 3.29Å; D396-K400 WeakPolarHBondContact O-CG 3.28Å; D396-K400 PolarHBondContact O-N 3.11Å; M398-K400 PolarHBondContact O-N 3.42Å; K400-Q403 PolarHBondContact O-N 3.27Å; K400-L404 WeakPolarHBondContact O-CB 3.37Å; K400-L404 PolarHBondContact O-N 3.33Å |
| 401 | R | 96.1 | Very high | 96.3 | Very high | 186 Ų | 186 | 113 Ų | 113 | 70% | 0.702 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 177.1 | -175 | 177.6 | -179.9 | 176 | 0.9 | 111.6 | K397 M398 A399 L404 M405 | K397-R401 PolarHBondContact O-N 3.15Å; M398-R401 PolarHBondContact O-N 2.82Å; A399-R401 PolarHBondContact O-N 2.89Å; R401-L404 PolarHBondContact O-N 3Å; R401-M405 PolarHBondContact O-N 2.92Å |
| 402 | L | 95.9 | Very high | 96.5 | Very high | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.8 | -48.5 | 177.1 | -176.9 | 65.2 | 0 | 0 | 0 | 110.6 | M398 A399 L404 M405 T406 | M398-L402 WeakPolarHBondContact O-CB 3.44Å; M398-L402 PolarHBondContact O-N 2.8Å; A399-L402 PolarHBondContact O-N 3.4Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 2.85Å; L402-M405 PolarHBondContact O-N 3.23Å; L402-M405 VanDerWaalsContact O-N 3.1Å; L402-T406 PolarHBondContact O-N 3.4Å; L402-T406 PolarHBondContact O-OG1 3.1Å; L402-T406 VanDerWaalsContact O-OG1 3.06Å |
| 403 | Q | 96.9 | Very high | 96.4 | Very high | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.4 | -45.1 | 177.2 | -174.9 | -179.4 | 9.1 | 0 | 0 | 112 | A399 K400 M405 T406 Q407 | A399-Q403 WeakPolarHBondContact O-CB 3.49Å; A399-Q403 PolarHBondContact O-N 2.61Å; K400-Q403 PolarHBondContact O-N 3.27Å; Q403-M405 VanDerWaalsContact C-N 3.35Å; Q403-M405 PolarHBondContact O-N 3.45Å; Q403-T406 PolarHBondContact O-N 3.31Å; Q403-Q407 WeakPolarHBondContact O-CG 3.47Å; Q403-Q407 PolarHBondContact O-N 3.36Å |
| 404 | L | 97.5 | Very high | 96.4 | Very high | 81 Ų | 81 | 110.8 Ų | 110.8 | 42% | 0.424 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.4 | -176.6 | 143.1 | 0 | 0 | 0 | 112.2 | K400 R401 L402 R408 | K400-L404 WeakPolarHBondContact O-CB 3.37Å; K400-L404 PolarHBondContact O-N 3.33Å; R401-L404 PolarHBondContact O-N 3Å; L402-L404 VanDerWaalsContact C-N 3.32Å; L402-L404 PolarHBondContact O-N 2.85Å; L404-R408 WeakPolarHBondContact O-CG 3.43Å; L404-R408 PolarHBondContact O-N 2.95Å |
| 405 | M | 94.3 | Very high | 96.5 | Very high | 79 Ų | 79 | 110.7 Ų | 110.7 | 39% | 0.389 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 174.3 | -111.3 | -56.6 | 177.9 | 0 | 0 | 111.7 | R401 L402 Q403 Q407 R408 Y409 | R401-M405 PolarHBondContact O-N 2.92Å; L402-M405 PolarHBondContact O-N 3.23Å; L402-M405 VanDerWaalsContact O-N 3.1Å; Q403-M405 VanDerWaalsContact C-N 3.35Å; Q403-M405 PolarHBondContact O-N 3.45Å; M405-Q407 VanDerWaalsContact C-N 3.32Å; M405-Q407 PolarHBondContact O-N 3.42Å; M405-R408 WeakPolarHBondContact O-CB 3.5Å; M405-R408 PolarHBondContact O-N 3.15Å; M405-R408 VanDerWaalsContact O-N 3.09Å; M405-Y409 HydrophobicContact CE-CE2 4.43Å; M405-Y409 HydrophobicContact CG-CE2 4.36Å; M405-Y409 WeakPolarHBondContact O-CD2 3.42Å; M405-Y409 PolarHBondContact O-N 2.82Å; M405-Y409 HydrophobicContact SD-CD2 3.81Å; M405-Y409 HydrophobicContact SD-CE2 3.33Å; M405-Y409 WeakPolarHBondContact SD-CE2 3.49Å |
| 406 | T | 95.9 | Very high | 96.6 | Very high | 64 Ų | 64 | 114.4 Ų | 114.4 | 39% | 0.393 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | L402 Q403 R408 Y409 E410 | L402-T406 PolarHBondContact O-N 3.4Å; L402-T406 PolarHBondContact O-OG1 3.1Å; L402-T406 VanDerWaalsContact O-OG1 3.06Å; Q403-T406 PolarHBondContact O-N 3.31Å; T406-R408 VanDerWaalsContact C-N 3.31Å; T406-R408 PolarHBondContact O-N 3.37Å; T406-Y409 PolarHBondContact O-N 3Å; T406-E410 HydrophobicContact CG2-CG 4.49Å; T406-E410 WeakPolarHBondContact O-CG 3.48Å; T406-E410 PolarHBondContact O-N 2.91Å |
| 407 | Q | 97.4 | Very high | 96.6 | Very high | 103 Ų | 103 | 114 Ų | 114 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 176 | -73.3 | 174.6 | -2.4 | 0 | 0 | 112.8 | Q403 M405 A411 | Q403-Q407 WeakPolarHBondContact O-CG 3.47Å; Q403-Q407 PolarHBondContact O-N 3.36Å; M405-Q407 VanDerWaalsContact C-N 3.32Å; M405-Q407 PolarHBondContact O-N 3.42Å; Q407-A411 WeakPolarHBondContact O-CB 3.3Å; Q407-A411 PolarHBondContact O-N 3.26Å |
| 408 | R | 97.4 | Very high | 96.5 | Very high | 158 Ų | 158 | 114.3 Ų | 114.3 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -42.5 | 176 | -75.4 | 179.5 | 177.3 | -172.6 | 0.6 | 112 | L404 M405 T406 A411 L412 | L404-R408 WeakPolarHBondContact O-CG 3.43Å; L404-R408 PolarHBondContact O-N 2.95Å; M405-R408 WeakPolarHBondContact O-CB 3.5Å; M405-R408 PolarHBondContact O-N 3.15Å; M405-R408 VanDerWaalsContact O-N 3.09Å; T406-R408 VanDerWaalsContact C-N 3.31Å; T406-R408 PolarHBondContact O-N 3.37Å; R408-A411 PolarHBondContact O-N 2.96Å; R408-L412 WeakPolarHBondContact O-CB 3.48Å; R408-L412 PolarHBondContact O-N 3.42Å |
| 409 | Y | 96.7 | Very high | 96.7 | Very high | 151 Ų | 151 | 112.9 Ų | 112.9 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 176.1 | -80 | -67.5 | 0 | 0 | 0 | 111.9 | M405 T406 A411 L412 E413 | M405-Y409 HydrophobicContact CE-CE2 4.43Å; M405-Y409 HydrophobicContact CG-CE2 4.36Å; M405-Y409 WeakPolarHBondContact O-CD2 3.42Å; M405-Y409 PolarHBondContact O-N 2.82Å; M405-Y409 HydrophobicContact SD-CD2 3.81Å; M405-Y409 HydrophobicContact SD-CE2 3.33Å; M405-Y409 WeakPolarHBondContact SD-CE2 3.49Å; T406-Y409 PolarHBondContact O-N 3Å; Y409-A411 VanDerWaalsContact C-N 3.33Å; Y409-A411 PolarHBondContact O-N 2.89Å; Y409-L412 PolarHBondContact O-N 3.48Å; Y409-E413 WeakPolarHBondContact O-CB 2.97Å; Y409-E413 PolarHBondContact O-N 3.47Å |
| 410 | E | 97.2 | Very high | 96.7 | Very high | 104 Ų | 104 | 114.5 Ų | 114.5 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 174.5 | -73 | 175.2 | -172.4 | 0 | 0 | 112.1 | T406 E413 K414 | T406-E410 HydrophobicContact CG2-CG 4.49Å; T406-E410 WeakPolarHBondContact O-CG 3.48Å; T406-E410 PolarHBondContact O-N 2.91Å; E410-E413 PolarHBondContact O-N 3.41Å; E410-K414 WeakPolarHBondContact O-CB 3.48Å; E410-K414 VanDerWaalsContact O-CG 3.27Å; E410-K414 WeakPolarHBondContact O-CG 2.91Å; E410-K414 PolarHBondContact O-N 3.16Å |
| 411 | A | 97.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 113.4 Ų | 113.4 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q407 R408 Y409 K414 R415 | Q407-A411 WeakPolarHBondContact O-CB 3.3Å; Q407-A411 PolarHBondContact O-N 3.26Å; R408-A411 PolarHBondContact O-N 2.96Å; Y409-A411 VanDerWaalsContact C-N 3.33Å; Y409-A411 PolarHBondContact O-N 2.89Å; A411-K414 PolarHBondContact O-N 3.46Å; A411-R415 PolarHBondContact O-N 2.97Å |
| 412 | L | 97.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 106 Ų | 106 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 176.1 | -174 | 68.2 | 0 | 0 | 0 | 111.2 | R408 Y409 R415 R416 | R408-L412 WeakPolarHBondContact O-CB 3.48Å; R408-L412 PolarHBondContact O-N 3.42Å; Y409-L412 PolarHBondContact O-N 3.48Å; L412-R415 PolarHBondContact O-N 3.43Å; L412-R416 WeakPolarHBondContact O-CB 3.41Å; L412-R416 PolarHBondContact O-N 3.37Å |
| 413 | E | 96 | Very high | 96.7 | Very high | 101 Ų | 101 | 106.9 Ų | 106.9 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.7 | -169.4 | 59.4 | -153.8 | 0 | 0 | 111.1 | Y409 E410 R415 R416 V417 | Y409-E413 WeakPolarHBondContact O-CB 2.97Å; Y409-E413 PolarHBondContact O-N 3.47Å; E410-E413 PolarHBondContact O-N 3.41Å; E413-R415 VanDerWaalsContact C-N 3.33Å; E413-R415 PolarHBondContact O-N 2.83Å; E413-R416 PolarHBondContact O-N 3.18Å; E413-V417 WeakPolarHBondContact O-CG2 3.24Å; E413-V417 PolarHBondContact O-N 2.89Å |
| 414 | K | 97.3 | Very high | 96.7 | Very high | 144 Ų | 144 | 107.7 Ų | 107.7 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 172.2 | -76 | 173.8 | -177 | 175.1 | 0 | 112.1 | E410 A411 V417 M418 | E410-K414 WeakPolarHBondContact O-CB 3.48Å; E410-K414 VanDerWaalsContact O-CG 3.27Å; E410-K414 WeakPolarHBondContact O-CG 2.91Å; E410-K414 PolarHBondContact O-N 3.16Å; A411-K414 PolarHBondContact O-N 3.46Å; K414-V417 PolarHBondContact O-N 3.44Å; K414-M418 WeakPolarHBondContact O-CG 3.47Å; K414-M418 PolarHBondContact O-N 3.1Å; K414-M418 VanDerWaalsContact O-N 3.09Å |
| 415 | R | 97.3 | Very high | 96.7 | Very high | 159 Ų | 159 | 106.4 Ų | 106.4 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | 176.7 | -172.2 | -174.5 | -65 | 163.7 | -1 | 111.1 | A411 L412 E413 V417 M418 E419 | A411-R415 PolarHBondContact O-N 2.97Å; L412-R415 PolarHBondContact O-N 3.43Å; E413-R415 VanDerWaalsContact C-N 3.33Å; E413-R415 PolarHBondContact O-N 2.83Å; R415-V417 VanDerWaalsContact C-N 3.3Å; R415-V417 PolarHBondContact O-N 2.84Å; R415-M418 PolarHBondContact O-N 2.93Å; R415-M418 VanDerWaalsContact O-N 3.12Å; R415-E419 WeakPolarHBondContact CD-OE1 3.24Å; R415-E419 HydrophobicContact CG-CG 4.4Å; R415-E419 WeakPolarHBondContact CG-OE1 3.49Å; R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 3.15Å |
| 416 | R | 96.9 | Very high | 96.8 | Very high | 154 Ų | 154 | 107.4 Ų | 107.4 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.1 | -42.7 | 177.7 | -171.5 | -175.7 | -175.7 | -170.1 | 2.5 | 111.8 | L412 E413 E419 V420 | L412-R416 WeakPolarHBondContact O-CB 3.41Å; L412-R416 PolarHBondContact O-N 3.37Å; E413-R416 PolarHBondContact O-N 3.18Å; R416-E419 PolarHBondContact O-N 2.85Å; R416-V420 WeakPolarHBondContact O-CB 3.49Å; R416-V420 VanDerWaalsContact O-CG2 3.26Å; R416-V420 WeakPolarHBondContact O-CG2 3.25Å; R416-V420 PolarHBondContact O-N 3.11Å |
| 417 | V | 96.6 | Very high | 96.9 | Very high | 67 Ų | 67 | 108.5 Ų | 108.5 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | E413 K414 R415 E419 V420 E421 | E413-V417 WeakPolarHBondContact O-CG2 3.24Å; E413-V417 PolarHBondContact O-N 2.89Å; K414-V417 PolarHBondContact O-N 3.44Å; R415-V417 VanDerWaalsContact C-N 3.3Å; R415-V417 PolarHBondContact O-N 2.84Å; V417-E419 PolarHBondContact O-N 2.86Å; V417-V420 PolarHBondContact O-N 3.31Å; V417-E421 WeakPolarHBondContact O-CG 3.36Å; V417-E421 PolarHBondContact O-N 3Å |
| 418 | M | 96 | Very high | 96.9 | Very high | 135 Ų | 135 | 110 Ų | 110 | 67% | 0.665 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 178.3 | -64.7 | -134.5 | -59.7 | 0 | 0 | 113 | K414 R415 E421 G422 | K414-M418 WeakPolarHBondContact O-CG 3.47Å; K414-M418 PolarHBondContact O-N 3.1Å; K414-M418 VanDerWaalsContact O-N 3.09Å; R415-M418 PolarHBondContact O-N 2.93Å; R415-M418 VanDerWaalsContact O-N 3.12Å; M418-E421 PolarHBondContact O-N 3.36Å; M418-G422 PolarHBondContact O-N 2.88Å |
| 419 | E | 96.8 | Very high | 96.9 | Very high | 95 Ų | 95 | 107 Ų | 107 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.5 | -75 | 170.8 | -171.9 | 0 | 0 | 111.3 | R415 R416 V417 E421 G422 F423 | R415-E419 WeakPolarHBondContact CD-OE1 3.24Å; R415-E419 HydrophobicContact CG-CG 4.4Å; R415-E419 WeakPolarHBondContact CG-OE1 3.49Å; R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 3.15Å; R416-E419 PolarHBondContact O-N 2.85Å; V417-E419 PolarHBondContact O-N 2.86Å; E419-E421 VanDerWaalsContact C-N 3.3Å; E419-E421 PolarHBondContact O-N 3.18Å; E419-G422 PolarHBondContact O-N 3.08Å; E419-G422 VanDerWaalsContact O-N 3.17Å; E419-F423 HydrophobicContact CB-CE2 4.15Å; E419-F423 WeakPolarHBondContact O-CD2 3.46Å; E419-F423 WeakPolarHBondContact O-CG 3.34Å; E419-F423 PolarHBondContact O-N 3.19Å |
| 420 | V | 97.1 | Very high | 97 | Very high | 87 Ų | 87 | 105.5 Ų | 105.5 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | R416 V417 K424 | R416-V420 WeakPolarHBondContact O-CB 3.49Å; R416-V420 VanDerWaalsContact O-CG2 3.26Å; R416-V420 WeakPolarHBondContact O-CG2 3.25Å; R416-V420 PolarHBondContact O-N 3.11Å; V417-V420 PolarHBondContact O-N 3.31Å; V420-K424 VanDerWaalsContact O-CB 3.25Å; V420-K424 WeakPolarHBondContact O-CB 3.25Å; V420-K424 PolarHBondContact O-N 3.17Å |
| 421 | E | 95.7 | Very high | 97 | Very high | 121 Ų | 121 | 108.4 Ų | 108.4 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 173.7 | -73.8 | -179.7 | 172.7 | 0 | 0 | 112.2 | V417 M418 E419 K424 A425 | V417-E421 WeakPolarHBondContact O-CG 3.36Å; V417-E421 PolarHBondContact O-N 3Å; M418-E421 PolarHBondContact O-N 3.36Å; E419-E421 VanDerWaalsContact C-N 3.3Å; E419-E421 PolarHBondContact O-N 3.18Å; E421-K424 PolarHBondContact O-N 2.88Å; E421-A425 PolarHBondContact O-N 2.85Å |
| 422 | G | 96.2 | Very high | 97 | Very high | 31 Ų | 31 | 109.8 Ų | 109.8 | 32% | 0.32 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.1 | -52.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M418 E419 K424 A425 D426 | M418-G422 PolarHBondContact O-N 2.88Å; E419-G422 PolarHBondContact O-N 3.08Å; E419-G422 VanDerWaalsContact O-N 3.17Å; G422-K424 VanDerWaalsContact C-N 3.27Å; G422-K424 PolarHBondContact O-N 3.21Å; G422-A425 WeakPolarHBondContact O-CA 3.34Å; G422-A425 WeakPolarHBondContact O-CB 3.47Å; G422-A425 PolarHBondContact O-N 3.44Å; G422-D426 PolarHBondContact O-N 2.87Å |
| 423 | F | 96.8 | Very high | 97 | Very high | 135 Ų | 135 | 110.8 Ų | 110.8 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.6 | -37.9 | 176.2 | -64.3 | -43.4 | 0 | 0 | 0 | 112.3 | E419 A425 D426 L427 | E419-F423 HydrophobicContact CB-CE2 4.15Å; E419-F423 WeakPolarHBondContact O-CD2 3.46Å; E419-F423 WeakPolarHBondContact O-CG 3.34Å; E419-F423 PolarHBondContact O-N 3.19Å; F423-A425 VanDerWaalsContact C-N 3.31Å; F423-A425 PolarHBondContact O-N 2.89Å; F423-D426 PolarHBondContact O-N 3.41Å; F423-L427 WeakPolarHBondContact O-CB 3.27Å; F423-L427 PolarHBondContact O-N 3.46Å |
| 424 | K | 97.6 | Very high | 97 | Very high | 134 Ų | 134 | 111.6 Ų | 111.6 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -35.4 | 175.5 | -172.1 | 177.5 | -177.1 | 178.8 | 0 | 111.7 | V420 E421 G422 K428 | V420-K424 VanDerWaalsContact O-CB 3.25Å; V420-K424 WeakPolarHBondContact O-CB 3.25Å; V420-K424 PolarHBondContact O-N 3.17Å; E421-K424 PolarHBondContact O-N 2.88Å; G422-K424 VanDerWaalsContact C-N 3.27Å; G422-K424 PolarHBondContact O-N 3.21Å; K424-K428 VanDerWaalsContact O-CG 3.29Å; K424-K428 WeakPolarHBondContact O-CG 3.34Å; K424-K428 PolarHBondContact O-N 3.4Å; K424-K428 VanDerWaalsContact O-N 3.16Å |
| 425 | A | 96.9 | Very high | 97 | Very high | 55 Ų | 55 | 110.1 Ų | 110.1 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69 | -46.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E421 G422 F423 L427 K428 L429 | E421-A425 PolarHBondContact O-N 2.85Å; G422-A425 WeakPolarHBondContact O-CA 3.34Å; G422-A425 WeakPolarHBondContact O-CB 3.47Å; G422-A425 PolarHBondContact O-N 3.44Å; F423-A425 VanDerWaalsContact C-N 3.31Å; F423-A425 PolarHBondContact O-N 2.89Å; A425-L427 VanDerWaalsContact C-N 3.33Å; A425-L427 PolarHBondContact O-N 3.22Å; A425-K428 WeakPolarHBondContact O-CB 3.43Å; A425-K428 PolarHBondContact O-N 3.24Å; A425-K428 VanDerWaalsContact O-N 3.15Å; A425-L429 PolarHBondContact O-N 3.48Å |
| 426 | D | 97.1 | Very high | 96.9 | Very high | 99 Ų | 99 | 105.5 Ų | 105.5 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.7 | -69.3 | -21.7 | 0 | 0 | 0 | 111.7 | G422 F423 K428 L429 L430 | G422-D426 PolarHBondContact O-N 2.87Å; F423-D426 PolarHBondContact O-N 3.41Å; D426-K428 VanDerWaalsContact C-N 3.29Å; D426-K428 PolarHBondContact O-N 3.08Å; D426-L429 WeakPolarHBondContact O-CB 3.48Å; D426-L429 PolarHBondContact O-N 2.9Å; D426-L429 VanDerWaalsContact O-N 3.13Å; D426-L430 WeakPolarHBondContact O-CB 3.46Å; D426-L430 PolarHBondContact O-N 2.86Å |
| 427 | L | 97.8 | Very high | 96.9 | Very high | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 177.5 | -159.3 | 149.9 | 0 | 0 | 0 | 111.4 | F423 A425 R431 | F423-L427 WeakPolarHBondContact O-CB 3.27Å; F423-L427 PolarHBondContact O-N 3.46Å; A425-L427 VanDerWaalsContact C-N 3.33Å; A425-L427 PolarHBondContact O-N 3.22Å; L427-R431 HydrophobicContact CD2-CG 4.3Å; L427-R431 WeakPolarHBondContact O-CB 3.48Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.44Å; L427-R431 PolarHBondContact O-N 3.38Å |
| 428 | K | 97.8 | Very high | 96.8 | Very high | 134 Ų | 134 | 104.2 Ų | 104.2 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 170.3 | -76.5 | 172.8 | -179.9 | -179.1 | 0 | 111.6 | K424 A425 D426 L430 R431 Q432 | K424-K428 VanDerWaalsContact O-CG 3.29Å; K424-K428 WeakPolarHBondContact O-CG 3.34Å; K424-K428 PolarHBondContact O-N 3.4Å; K424-K428 VanDerWaalsContact O-N 3.16Å; A425-K428 WeakPolarHBondContact O-CB 3.43Å; A425-K428 PolarHBondContact O-N 3.24Å; A425-K428 VanDerWaalsContact O-N 3.15Å; D426-K428 VanDerWaalsContact C-N 3.29Å; D426-K428 PolarHBondContact O-N 3.08Å; K428-L430 VanDerWaalsContact C-N 3.34Å; K428-L430 PolarHBondContact O-N 2.95Å; K428-R431 PolarHBondContact O-N 2.94Å; K428-Q432 PolarHBondContact O-N 2.91Å |
| 429 | L | 97.3 | Very high | 96.7 | Very high | 95 Ų | 95 | 104 Ų | 104 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 178.2 | -177.5 | 65.9 | 0 | 0 | 0 | 111.2 | A425 D426 Q432 K433 | A425-L429 PolarHBondContact O-N 3.48Å; D426-L429 WeakPolarHBondContact O-CB 3.48Å; D426-L429 PolarHBondContact O-N 2.9Å; D426-L429 VanDerWaalsContact O-N 3.13Å; L429-Q432 WeakPolarHBondContact O-CB 3.28Å; L429-Q432 PolarHBondContact O-N 3.32Å; L429-K433 WeakPolarHBondContact O-CG 3.47Å; L429-K433 PolarHBondContact O-N 2.95Å |
| 430 | L | 97.3 | Very high | 96.5 | Very high | 120 Ų | 120 | 105.7 Ų | 105.7 | 63% | 0.628 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 178.8 | -159.3 | 71.7 | 0 | 0 | 0 | 111.5 | D426 K428 Q432 K433 L434 | D426-L430 WeakPolarHBondContact O-CB 3.46Å; D426-L430 PolarHBondContact O-N 2.86Å; K428-L430 VanDerWaalsContact C-N 3.34Å; K428-L430 PolarHBondContact O-N 2.95Å; L430-Q432 VanDerWaalsContact C-N 3.27Å; L430-Q432 PolarHBondContact O-N 2.96Å; L430-K433 PolarHBondContact O-N 2.83Å; L430-L434 WeakPolarHBondContact O-CB 3.43Å; L430-L434 PolarHBondContact O-N 3.35Å |
| 431 | R | 97.6 | Very high | 96.1 | Very high | 164 Ų | 164 | 107.2 Ų | 107.2 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.5 | -38.5 | 171.8 | -77.7 | 177.4 | -179.5 | 176.3 | 4.8 | 112.1 | L427 K428 K435 | L427-R431 HydrophobicContact CD2-CG 4.3Å; L427-R431 WeakPolarHBondContact O-CB 3.48Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.44Å; L427-R431 PolarHBondContact O-N 3.38Å; K428-R431 PolarHBondContact O-N 2.94Å; R431-K435 WeakPolarHBondContact O-CG 3.46Å; R431-K435 PolarHBondContact O-N 3.35Å |
| 432 | Q | 97.6 | Very high | 95.7 | Very high | 85 Ų | 85 | 105.8 Ų | 105.8 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 177 | -174.8 | 56.6 | 40 | 0 | 0 | 111.4 | K428 L429 L430 L434 K435 D436 | K428-Q432 PolarHBondContact O-N 2.91Å; L429-Q432 WeakPolarHBondContact O-CB 3.28Å; L429-Q432 PolarHBondContact O-N 3.32Å; L430-Q432 VanDerWaalsContact C-N 3.27Å; L430-Q432 PolarHBondContact O-N 2.96Å; Q432-L434 VanDerWaalsContact C-N 3.28Å; Q432-L434 PolarHBondContact O-N 3.19Å; Q432-K435 WeakPolarHBondContact O-CB 3.35Å; Q432-K435 PolarHBondContact O-N 2.81Å; Q432-K435 VanDerWaalsContact O-N 3.16Å; Q432-D436 PolarHBondContact NE2-OD1 2.96Å; Q432-D436 VanDerWaalsContact NE2-OD1 3.1Å; Q432-D436 PolarHBondContact NE2-OD2 3.23Å; Q432-D436 VanDerWaalsContact O-CG 3.31Å; Q432-D436 PolarHBondContact O-N 3.43Å |
| 433 | K | 96.9 | Very high | 95.3 | Very high | 124 Ų | 124 | 111 Ų | 111 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.1 | -41.9 | 174.9 | -72 | -179.1 | 178.4 | -179.6 | 0 | 112 | L429 L430 D436 V437 | L429-K433 WeakPolarHBondContact O-CG 3.47Å; L429-K433 PolarHBondContact O-N 2.95Å; L430-K433 PolarHBondContact O-N 2.83Å; K433-D436 PolarHBondContact O-N 2.84Å; K433-V437 WeakPolarHBondContact O-CG2 3.4Å; K433-V437 PolarHBondContact O-N 2.89Å |
| 434 | L | 96.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 108.5 Ų | 108.5 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 177.7 | -167.9 | 146.4 | 0 | 0 | 0 | 111.5 | L430 Q432 D436 V437 E438 | L430-L434 WeakPolarHBondContact O-CB 3.43Å; L430-L434 PolarHBondContact O-N 3.35Å; Q432-L434 VanDerWaalsContact C-N 3.28Å; Q432-L434 PolarHBondContact O-N 3.19Å; L434-D436 VanDerWaalsContact C-N 3.3Å; L434-D436 PolarHBondContact O-N 3.38Å; L434-V437 PolarHBondContact O-N 3.31Å; L434-E438 WeakPolarHBondContact O-CB 3.36Å; L434-E438 PolarHBondContact O-N 3.25Å |
| 435 | K | 97.4 | Very high | 93.7 | Very high | 113 Ų | 113 | 106.3 Ų | 106.3 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 173 | -75 | 179 | 178.2 | -174.1 | 0 | 112.8 | R431 Q432 E438 K439 | R431-K435 WeakPolarHBondContact O-CG 3.46Å; R431-K435 PolarHBondContact O-N 3.35Å; Q432-K435 WeakPolarHBondContact O-CB 3.35Å; Q432-K435 PolarHBondContact O-N 2.81Å; Q432-K435 VanDerWaalsContact O-N 3.16Å; K435-E438 PolarHBondContact O-N 3.14Å; K435-K439 VanDerWaalsContact O-CG 3.32Å; K435-K439 WeakPolarHBondContact O-CG 3.43Å; K435-K439 PolarHBondContact O-N 3.37Å |
| 436 | D | 96.1 | Very high | 92.7 | Very high | 62 Ų | 62 | 109.8 Ų | 109.8 | 33% | 0.332 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 179.6 | -65.4 | -30.7 | 0 | 0 | 0 | 111.5 | Q432 K433 L434 K439 Q440 | Q432-D436 PolarHBondContact NE2-OD1 2.96Å; Q432-D436 VanDerWaalsContact NE2-OD1 3.1Å; Q432-D436 PolarHBondContact NE2-OD2 3.23Å; Q432-D436 VanDerWaalsContact O-CG 3.31Å; Q432-D436 PolarHBondContact O-N 3.43Å; K433-D436 PolarHBondContact O-N 2.84Å; L434-D436 VanDerWaalsContact C-N 3.3Å; L434-D436 PolarHBondContact O-N 3.38Å; D436-K439 PolarHBondContact O-N 3.5Å; D436-K439 IonicContact OD1-NZ 3.78Å; D436-Q440 WeakPolarHBondContact O-CG 3.42Å; D436-Q440 PolarHBondContact O-N 3.19Å |
| 437 | V | 96.3 | Very high | 91.3 | Very high | 86 Ų | 86 | 109.9 Ų | 109.9 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 170.1 | 171.9 | 0 | 0 | 0 | 0 | 111 | K433 L434 K439 Q440 L441 | K433-V437 WeakPolarHBondContact O-CG2 3.4Å; K433-V437 PolarHBondContact O-N 2.89Å; L434-V437 PolarHBondContact O-N 3.31Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 2.91Å; V437-Q440 WeakPolarHBondContact O-CB 3.46Å; V437-Q440 PolarHBondContact O-N 2.77Å; V437-Q440 VanDerWaalsContact O-N 3.11Å; V437-L441 WeakPolarHBondContact O-CB 3.36Å; V437-L441 PolarHBondContact O-N 2.9Å |
| 438 | E | 94.6 | Very high | 89.7 | Confident | 109 Ų | 109 | 110 Ų | 110 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 176.9 | -173.1 | 179.1 | -168.3 | 0 | 0 | 111.1 | L434 K435 Q440 L441 L442 | L434-E438 WeakPolarHBondContact O-CB 3.36Å; L434-E438 PolarHBondContact O-N 3.25Å; K435-E438 PolarHBondContact O-N 3.14Å; E438-Q440 PolarHBondContact O-N 2.74Å; E438-L441 WeakPolarHBondContact O-CB 3.42Å; E438-L441 PolarHBondContact O-N 2.99Å; E438-L442 HydrophobicContact CG-CD1 4.46Å; E438-L442 WeakPolarHBondContact O-CB 3.33Å; E438-L442 PolarHBondContact O-N 3.27Å |
| 439 | K | 94 | Very high | 88.1 | Confident | 131 Ų | 131 | 104.6 Ų | 104.6 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 172.9 | -74.5 | 172.4 | -175.1 | 170.9 | 0 | 112.7 | K435 D436 V437 L442 K443 | K435-K439 VanDerWaalsContact O-CG 3.32Å; K435-K439 WeakPolarHBondContact O-CG 3.43Å; K435-K439 PolarHBondContact O-N 3.37Å; D436-K439 PolarHBondContact O-N 3.5Å; D436-K439 IonicContact OD1-NZ 3.78Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 2.91Å; K439-L442 PolarHBondContact O-N 3.43Å; K439-K443 WeakPolarHBondContact O-CB 3.42Å; K439-K443 PolarHBondContact O-N 2.91Å |
| 440 | Q | 91.9 | Very high | 86.5 | Confident | 130 Ų | 130 | 105.5 Ų | 105.5 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 176.1 | -73.4 | 177 | 3.1 | 0 | 0 | 111 | D436 V437 E438 L442 K443 V444 | D436-Q440 WeakPolarHBondContact O-CG 3.42Å; D436-Q440 PolarHBondContact O-N 3.19Å; V437-Q440 WeakPolarHBondContact O-CB 3.46Å; V437-Q440 PolarHBondContact O-N 2.77Å; V437-Q440 VanDerWaalsContact O-N 3.11Å; E438-Q440 PolarHBondContact O-N 2.74Å; Q440-L442 PolarHBondContact O-N 3.43Å; Q440-K443 PolarHBondContact O-N 2.91Å; Q440-V444 WeakPolarHBondContact O-CG2 3.27Å; Q440-V444 PolarHBondContact O-N 3.45Å |
| 441 | L | 88.4 | Confident | 84.8 | Confident | 118 Ų | 118 | 105.6 Ų | 105.6 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 176.7 | -161.1 | 91.4 | 0 | 0 | 0 | 110.9 | V437 E438 K443 V444 T445 | V437-L441 WeakPolarHBondContact O-CB 3.36Å; V437-L441 PolarHBondContact O-N 2.9Å; E438-L441 WeakPolarHBondContact O-CB 3.42Å; E438-L441 PolarHBondContact O-N 2.99Å; L441-K443 PolarHBondContact O-N 2.66Å; L441-V444 PolarHBondContact O-N 3.35Å; L441-T445 PolarHBondContact O-N 2.96Å; L441-T445 PolarHBondContact O-OG1 2.84Å |
| 442 | L | 88.6 | Confident | 83.5 | Confident | 92 Ų | 92 | 103.1 Ų | 103.1 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.1 | -113.8 | 139.4 | 0 | 0 | 0 | 111.7 | E438 K439 Q440 T445 L446 | E438-L442 HydrophobicContact CG-CD1 4.46Å; E438-L442 WeakPolarHBondContact O-CB 3.33Å; E438-L442 PolarHBondContact O-N 3.27Å; K439-L442 PolarHBondContact O-N 3.43Å; Q440-L442 PolarHBondContact O-N 3.43Å; L442-T445 VanDerWaalsContact CA-OG1 3.3Å; L442-T445 WeakPolarHBondContact CA-OG1 3.46Å; L442-T445 PolarHBondContact O-N 3.4Å; L442-T445 PolarHBondContact O-OG1 3.12Å; L442-L446 HydrophobicContact CD2-CD1 3.92Å; L442-L446 HydrophobicContact CD2-CG 4.46Å; L442-L446 VanDerWaalsContact O-CB 3.28Å; L442-L446 WeakPolarHBondContact O-CB 3.3Å; L442-L446 WeakPolarHBondContact O-CG 3.38Å; L442-L446 PolarHBondContact O-N 3.04Å |
| 443 | K | 87.8 | Confident | 82.4 | Confident | 140 Ų | 140 | 103.6 Ų | 103.6 | 61% | 0.609 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 176.9 | -173.3 | 176 | -179.2 | -179.5 | 0 | 111.7 | K439 Q440 L441 N447 | K439-K443 WeakPolarHBondContact O-CB 3.42Å; K439-K443 PolarHBondContact O-N 2.91Å; Q440-K443 PolarHBondContact O-N 2.91Å; L441-K443 PolarHBondContact O-N 2.66Å; K443-N447 WeakPolarHBondContact O-CB 3.41Å; K443-N447 PolarHBondContact O-N 3.16Å; K443-N447 PolarHBondContact O-ND2 3.35Å; K443-N447 PolarHBondContact O-OD1 3.12Å |
| 444 | V | 83.5 | Confident | 81.4 | Confident | 83 Ų | 83 | 102.1 Ų | 102.1 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | Q440 L441 L446 N447 I448 | Q440-V444 WeakPolarHBondContact O-CG2 3.27Å; Q440-V444 PolarHBondContact O-N 3.45Å; L441-V444 PolarHBondContact O-N 3.35Å; V444-L446 PolarHBondContact O-N 2.81Å; V444-N447 PolarHBondContact O-N 2.88Å; V444-I448 HydrophobicContact CG1-CD1 3.65Å; V444-I448 WeakPolarHBondContact O-CD1 3.46Å; V444-I448 VanDerWaalsContact O-CG1 3.26Å; V444-I448 WeakPolarHBondContact O-CG1 3.4Å; V444-I448 PolarHBondContact O-N 3.16Å |
| 445 | T | 77.6 | Confident | 80.6 | Confident | 87 Ų | 87 | 99.2 Ų | 99.2 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 178.1 | 33 | 0 | 0 | 0 | 0 | 113 | L441 L442 | L441-T445 PolarHBondContact O-N 2.96Å; L441-T445 PolarHBondContact O-OG1 2.84Å; L442-T445 VanDerWaalsContact CA-OG1 3.3Å; L442-T445 WeakPolarHBondContact CA-OG1 3.46Å; L442-T445 PolarHBondContact O-N 3.4Å; L442-T445 PolarHBondContact O-OG1 3.12Å |
| 446 | L | 73.9 | Confident | 79.9 | Confident | 129 Ų | 129 | 98.2 Ų | 98.2 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.7 | -32.1 | 174.4 | -71.3 | 169.8 | 0 | 0 | 0 | 112.9 | L442 V444 I448 | L442-L446 HydrophobicContact CD2-CD1 3.92Å; L442-L446 HydrophobicContact CD2-CG 4.46Å; L442-L446 VanDerWaalsContact O-CB 3.28Å; L442-L446 WeakPolarHBondContact O-CB 3.3Å; L442-L446 WeakPolarHBondContact O-CG 3.38Å; L442-L446 PolarHBondContact O-N 3.04Å; V444-L446 PolarHBondContact O-N 2.81Å; L446-I448 VanDerWaalsContact C-N 3.35Å |
| 447 | N | 68.6 | Low | 79.3 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 54% | 0.54 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.6 | -21.8 | 176.4 | -72.3 | -9 | 0 | 0 | 0 | 112.8 | K443 V444 G449 Q452 | K443-N447 WeakPolarHBondContact O-CB 3.41Å; K443-N447 PolarHBondContact O-N 3.16Å; K443-N447 PolarHBondContact O-ND2 3.35Å; K443-N447 PolarHBondContact O-OD1 3.12Å; V444-N447 PolarHBondContact O-N 2.88Å; N447-G449 VanDerWaalsContact C-N 3.28Å; N447-G449 PolarHBondContact O-N 3.04Å; N447-G449 VanDerWaalsContact O-N 3.16Å; N447-Q452 PolarHBondContact O-OE1 3.32Å |
| 448 | I | 64.3 | Low | 78.7 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 46% | 0.456 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -85.7 | 77.6 | 169.3 | -60.7 | 161.1 | 0 | 0 | 0 | 106.9 | V444 L446 | V444-I448 HydrophobicContact CG1-CD1 3.65Å; V444-I448 WeakPolarHBondContact O-CD1 3.46Å; V444-I448 VanDerWaalsContact O-CG1 3.26Å; V444-I448 WeakPolarHBondContact O-CG1 3.4Å; V444-I448 PolarHBondContact O-N 3.16Å; L446-I448 VanDerWaalsContact C-N 3.35Å |
| 449 | G | 63.3 | Low | 78.4 | Confident | 21 Ų | 21 | 103.5 Ų | 103.5 | 22% | 0.216 | 55% | 0.545 | C | S | . | . | trans | -66.7 | 145.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N447 N451 Q452 | N447-G449 VanDerWaalsContact C-N 3.28Å; N447-G449 PolarHBondContact O-N 3.04Å; N447-G449 VanDerWaalsContact O-N 3.16Å; G449-N451 PolarHBondContact O-N 3.08Å; G449-Q452 PolarHBondContact O-N 2.98Å | ||
| 450 | P | 63.5 | Low | 78.2 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 75% | 0.747 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19 | -176.9 | 20.3 | -32.2 | 0 | 0 | 0 | 114.1 | ||
| 451 | N | 63 | Low | 78.1 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 65% | 0.652 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -9.1 | -178.7 | -65.1 | -19.7 | 0 | 0 | 0 | 114.1 | G449 A455 | G449-N451 PolarHBondContact O-N 3.08Å; N451-A455 WeakPolarHBondContact O-CB 3.47Å; N451-A455 PolarHBondContact O-N 3.14Å |
| 452 | Q | 70.4 | Confident | 78.2 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -78.8 | -42.6 | -173.4 | -155.6 | 150.7 | 15.8 | 0 | 0 | 111.3 | N447 G449 L454 A455 I456 | N447-Q452 PolarHBondContact O-OE1 3.32Å; G449-Q452 PolarHBondContact O-N 2.98Å; Q452-L454 VanDerWaalsContact C-N 3.31Å; Q452-L454 PolarHBondContact O-N 3.28Å; Q452-A455 PolarHBondContact O-N 2.94Å; Q452-I456 VanDerWaalsContact O-CG1 3.25Å; Q452-I456 WeakPolarHBondContact O-CG1 3.32Å; Q452-I456 PolarHBondContact O-N 3.46Å |
| 453 | D | 72.9 | Confident | 78.3 | Confident | 95 Ų | 95 | 102.3 Ų | 102.3 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 171 | -68.3 | -17.6 | 0 | 0 | 0 | 111.5 | I456 L457 | D453-I456 PolarHBondContact O-N 3.41Å; D453-L457 WeakPolarHBondContact O-CB 3.32Å; D453-L457 VanDerWaalsContact O-CG 3.25Å; D453-L457 WeakPolarHBondContact O-CG 3.46Å; D453-L457 PolarHBondContact O-N 2.99Å |
| 454 | L | 77.9 | Confident | 78.6 | Confident | 93 Ų | 93 | 100.5 Ų | 100.5 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -41 | 173.2 | -94.7 | 161.7 | 0 | 0 | 0 | 112.2 | Q452 L457 H458 | Q452-L454 VanDerWaalsContact C-N 3.31Å; Q452-L454 PolarHBondContact O-N 3.28Å; L454-L457 PolarHBondContact O-N 3.46Å; L454-H458 WeakPolarHBondContact O-CB 3.34Å; L454-H458 PolarHBondContact O-CD2 2.86Å; L454-H458 PolarHBondContact O-N 3.33Å |
| 455 | A | 78.4 | Confident | 79 | Confident | 56 Ų | 56 | 99.7 Ų | 99.7 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N451 Q452 L457 H458 E459 | N451-A455 WeakPolarHBondContact O-CB 3.47Å; N451-A455 PolarHBondContact O-N 3.14Å; Q452-A455 PolarHBondContact O-N 2.94Å; A455-L457 VanDerWaalsContact C-N 3.33Å; A455-L457 PolarHBondContact O-N 3.42Å; A455-H458 PolarHBondContact O-N 2.87Å; A455-E459 WeakPolarHBondContact O-CB 3.42Å; A455-E459 PolarHBondContact O-N 2.96Å |
| 456 | I | 82.4 | Confident | 79.7 | Confident | 92 Ų | 92 | 102.6 Ų | 102.6 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 174.8 | -66.1 | 163.9 | 0 | 0 | 0 | 109.9 | Q452 D453 H458 E459 V460 | Q452-I456 VanDerWaalsContact O-CG1 3.25Å; Q452-I456 WeakPolarHBondContact O-CG1 3.32Å; Q452-I456 PolarHBondContact O-N 3.46Å; D453-I456 PolarHBondContact O-N 3.41Å; I456-H458 VanDerWaalsContact C-N 3.35Å; I456-H458 PolarHBondContact O-N 3.37Å; I456-E459 PolarHBondContact O-N 3.07Å; I456-V460 HydrophobicContact CG2-CG2 4.33Å; I456-V460 WeakPolarHBondContact O-CB 3.26Å; I456-V460 VanDerWaalsContact O-CG2 3.24Å; I456-V460 WeakPolarHBondContact O-CG2 3.33Å; I456-V460 PolarHBondContact O-N 3.46Å |
| 457 | L | 83.6 | Confident | 80.6 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | 176.2 | -76.7 | 169.4 | 0 | 0 | 0 | 112.6 | D453 L454 A455 R461 | D453-L457 WeakPolarHBondContact O-CB 3.32Å; D453-L457 VanDerWaalsContact O-CG 3.25Å; D453-L457 WeakPolarHBondContact O-CG 3.46Å; D453-L457 PolarHBondContact O-N 2.99Å; L454-L457 PolarHBondContact O-N 3.46Å; A455-L457 VanDerWaalsContact C-N 3.33Å; A455-L457 PolarHBondContact O-N 3.42Å; L457-R461 VanDerWaalsContact O-CB 3.27Å; L457-R461 WeakPolarHBondContact O-CB 3.45Å; L457-R461 PolarHBondContact O-N 2.95Å |
| 458 | H | 83.9 | Confident | 81.8 | Confident | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 175 | -92.3 | -72.2 | 0 | 0 | 0 | 112.1 | L454 A455 I456 R461 Q462 | L454-H458 WeakPolarHBondContact O-CB 3.34Å; L454-H458 PolarHBondContact O-CD2 2.86Å; L454-H458 PolarHBondContact O-N 3.33Å; A455-H458 PolarHBondContact O-N 2.87Å; I456-H458 VanDerWaalsContact C-N 3.35Å; I456-H458 PolarHBondContact O-N 3.37Å; H458-R461 PolarHBondContact O-N 2.86Å; H458-Q462 WeakPolarHBondContact O-CB 3.3Å; H458-Q462 PolarHBondContact O-N 3.25Å |
| 459 | E | 87.8 | Confident | 83.2 | Confident | 130 Ų | 130 | 104.1 Ų | 104.1 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.5 | -42.6 | 178.1 | -163.7 | 172.8 | -159.1 | 0 | 0 | 111.7 | A455 I456 R461 Q462 T463 | A455-E459 WeakPolarHBondContact O-CB 3.42Å; A455-E459 PolarHBondContact O-N 2.96Å; I456-E459 PolarHBondContact O-N 3.07Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 3.22Å; E459-Q462 PolarHBondContact O-N 3.34Å; E459-T463 WeakPolarHBondContact O-CB 3.27Å; E459-T463 WeakPolarHBondContact O-CG2 3.38Å; E459-T463 PolarHBondContact O-N 3.13Å; E459-T463 PolarHBondContact O-OG1 2.93Å |
| 460 | V | 89.6 | Confident | 84.6 | Confident | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 172.4 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I456 T463 N464 | I456-V460 HydrophobicContact CG2-CG2 4.33Å; I456-V460 WeakPolarHBondContact O-CB 3.26Å; I456-V460 VanDerWaalsContact O-CG2 3.24Å; I456-V460 WeakPolarHBondContact O-CG2 3.33Å; I456-V460 PolarHBondContact O-N 3.46Å; V460-T463 VanDerWaalsContact CA-OG1 3.31Å; V460-T463 WeakPolarHBondContact CA-OG1 3.29Å; V460-T463 PolarHBondContact O-OG1 3.39Å; V460-N464 VanDerWaalsContact O-CB 3.24Å; V460-N464 WeakPolarHBondContact O-CB 3.4Å; V460-N464 PolarHBondContact O-N 3.02Å |
| 461 | R | 90.1 | Very high | 86 | Confident | 193 Ų | 193 | 106.8 Ų | 106.8 | 73% | 0.728 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 177.4 | -165.7 | 177.3 | -169.1 | 176.3 | 3.4 | 112 | L457 H458 E459 S465 | L457-R461 VanDerWaalsContact O-CB 3.27Å; L457-R461 WeakPolarHBondContact O-CB 3.45Å; L457-R461 PolarHBondContact O-N 2.95Å; H458-R461 PolarHBondContact O-N 2.86Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 3.22Å; R461-S465 WeakPolarHBondContact O-CB 3.41Å; R461-S465 PolarHBondContact O-N 3.42Å |
| 462 | Q | 91.6 | Very high | 87.4 | Confident | 108 Ų | 108 | 105.7 Ų | 105.7 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 178.9 | -164.2 | -177.5 | 28.9 | 0 | 0 | 111.5 | H458 E459 S465 R466 | H458-Q462 WeakPolarHBondContact O-CB 3.3Å; H458-Q462 PolarHBondContact O-N 3.25Å; E459-Q462 PolarHBondContact O-N 3.34Å; Q462-S465 WeakPolarHBondContact O-CB 3.47Å; Q462-S465 PolarHBondContact O-N 2.9Å; Q462-R466 WeakPolarHBondContact O-CG 3.44Å; Q462-R466 PolarHBondContact O-N 3.17Å |
| 463 | T | 91.3 | Very high | 88.5 | Confident | 63 Ų | 63 | 106.3 Ų | 106.3 | 39% | 0.387 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 174.8 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | E459 V460 S465 R466 T467 | E459-T463 WeakPolarHBondContact O-CB 3.27Å; E459-T463 WeakPolarHBondContact O-CG2 3.38Å; E459-T463 PolarHBondContact O-N 3.13Å; E459-T463 PolarHBondContact O-OG1 2.93Å; V460-T463 VanDerWaalsContact CA-OG1 3.31Å; V460-T463 WeakPolarHBondContact CA-OG1 3.29Å; V460-T463 PolarHBondContact O-OG1 3.39Å; T463-S465 VanDerWaalsContact C-N 3.32Å; T463-S465 PolarHBondContact O-N 3.15Å; T463-R466 WeakPolarHBondContact O-CB 3.17Å; T463-R466 PolarHBondContact O-N 3.36Å; T463-R466 VanDerWaalsContact O-N 3.11Å; T463-T467 PolarHBondContact O-N 2.93Å; T463-T467 PolarHBondContact O-OG1 3.41Å |
| 464 | N | 92.6 | Very high | 89.5 | Confident | 103 Ų | 103 | 107.2 Ų | 107.2 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 174.9 | -164.2 | -32.7 | 0 | 0 | 0 | 112.1 | V460 R466 T467 K468 | V460-N464 VanDerWaalsContact O-CB 3.24Å; V460-N464 WeakPolarHBondContact O-CB 3.4Å; V460-N464 PolarHBondContact O-N 3.02Å; N464-R466 PolarHBondContact O-N 2.91Å; N464-T467 PolarHBondContact O-N 2.87Å; N464-K468 WeakPolarHBondContact O-CB 3.37Å; N464-K468 PolarHBondContact O-N 3.48Å |
| 465 | S | 91.6 | Very high | 90.1 | Very high | 65 Ų | 65 | 108.1 Ų | 108.1 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | R461 Q462 T463 K468 K469 | R461-S465 WeakPolarHBondContact O-CB 3.41Å; R461-S465 PolarHBondContact O-N 3.42Å; Q462-S465 WeakPolarHBondContact O-CB 3.47Å; Q462-S465 PolarHBondContact O-N 2.9Å; T463-S465 VanDerWaalsContact C-N 3.32Å; T463-S465 PolarHBondContact O-N 3.15Å; S465-K468 PolarHBondContact O-N 2.97Å; S465-K469 WeakPolarHBondContact O-CG 3.39Å; S465-K469 PolarHBondContact O-N 3.35Å; S465-K469 VanDerWaalsContact O-N 3.09Å |
| 466 | R | 92.8 | Very high | 90.8 | Very high | 148 Ų | 148 | 107.9 Ų | 107.9 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -46.9 | 175 | -68.9 | 176 | -173.2 | 167.6 | 5.4 | 111.2 | Q462 T463 N464 K468 K469 V470 | Q462-R466 WeakPolarHBondContact O-CG 3.44Å; Q462-R466 PolarHBondContact O-N 3.17Å; T463-R466 WeakPolarHBondContact O-CB 3.17Å; T463-R466 PolarHBondContact O-N 3.36Å; T463-R466 VanDerWaalsContact O-N 3.11Å; N464-R466 PolarHBondContact O-N 2.91Å; R466-K468 VanDerWaalsContact C-N 3.29Å; R466-K468 PolarHBondContact O-N 2.87Å; R466-K469 WeakPolarHBondContact O-CB 3.3Å; R466-K469 PolarHBondContact O-N 3.45Å; R466-K469 VanDerWaalsContact O-N 3.12Å; R466-V470 WeakPolarHBondContact O-CG2 3.42Å; R466-V470 PolarHBondContact O-N 3.41Å |
| 467 | T | 93.6 | Very high | 91.3 | Very high | 89 Ų | 89 | 108.2 Ų | 108.2 | 55% | 0.546 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | T463 N464 K469 V470 Q471 | T463-T467 PolarHBondContact O-N 2.93Å; T463-T467 PolarHBondContact O-OG1 3.41Å; N464-T467 PolarHBondContact O-N 2.87Å; T467-K469 VanDerWaalsContact C-N 3.35Å; T467-K469 PolarHBondContact O-N 2.97Å; T467-V470 PolarHBondContact O-N 3.39Å; T467-Q471 WeakPolarHBondContact O-CB 3.42Å; T467-Q471 PolarHBondContact O-N 3.42Å |
| 468 | K | 93.6 | Very high | 91.7 | Very high | 130 Ų | 130 | 107.8 Ų | 107.8 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.3 | -36.1 | 178 | -161.5 | 171.4 | -173.9 | 175.4 | 0 | 112.6 | N464 S465 R466 N472 | N464-K468 WeakPolarHBondContact O-CB 3.37Å; N464-K468 PolarHBondContact O-N 3.48Å; S465-K468 PolarHBondContact O-N 2.97Å; R466-K468 VanDerWaalsContact C-N 3.29Å; R466-K468 PolarHBondContact O-N 2.87Å; K468-N472 PolarHBondContact O-N 3.45Å; K468-N472 PolarHBondContact O-ND2 2.86Å; K468-N472 PolarHBondContact O-OD1 2.85Å |
| 469 | K | 92.9 | Very high | 92 | Very high | 132 Ų | 132 | 104.9 Ų | 104.9 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -49.4 | 173.3 | -72.3 | -179 | -179.2 | -173.7 | 0 | 111.6 | S465 R466 T467 Q471 N472 E473 | S465-K469 WeakPolarHBondContact O-CG 3.39Å; S465-K469 PolarHBondContact O-N 3.35Å; S465-K469 VanDerWaalsContact O-N 3.09Å; R466-K469 WeakPolarHBondContact O-CB 3.3Å; R466-K469 PolarHBondContact O-N 3.45Å; R466-K469 VanDerWaalsContact O-N 3.12Å; T467-K469 VanDerWaalsContact C-N 3.35Å; T467-K469 PolarHBondContact O-N 2.97Å; K469-Q471 VanDerWaalsContact C-N 3.28Å; K469-Q471 PolarHBondContact O-N 3.38Å; K469-N472 WeakPolarHBondContact O-CB 3.35Å; K469-N472 PolarHBondContact O-N 3.14Å; K469-N472 VanDerWaalsContact O-N 3.1Å; K469-E473 WeakPolarHBondContact O-CG 3.38Å; K469-E473 PolarHBondContact O-N 3.48Å |
| 470 | V | 93.4 | Very high | 92.2 | Very high | 82 Ų | 82 | 105.6 Ų | 105.6 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | R466 T467 N472 E473 L474 | R466-V470 WeakPolarHBondContact O-CG2 3.42Å; R466-V470 PolarHBondContact O-N 3.41Å; T467-V470 PolarHBondContact O-N 3.39Å; V470-N472 VanDerWaalsContact C-N 3.34Å; V470-N472 PolarHBondContact O-N 3.2Å; V470-E473 PolarHBondContact O-N 2.97Å; V470-L474 HydrophobicContact CG1-CD1 4.48Å; V470-L474 WeakPolarHBondContact O-CB 3.49Å; V470-L474 PolarHBondContact O-N 3.28Å |
| 471 | Q | 92.6 | Very high | 92.2 | Very high | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 175.9 | -173.7 | 178.4 | 3.9 | 0 | 0 | 112.1 | T467 K469 L474 M475 | T467-Q471 WeakPolarHBondContact O-CB 3.42Å; T467-Q471 PolarHBondContact O-N 3.42Å; K469-Q471 VanDerWaalsContact C-N 3.28Å; K469-Q471 PolarHBondContact O-N 3.38Å; Q471-L474 WeakPolarHBondContact O-CB 3.42Å; Q471-L474 PolarHBondContact O-N 2.97Å; Q471-M475 WeakPolarHBondContact O-CG 3.32Å; Q471-M475 PolarHBondContact O-N 3.44Å |
| 472 | N | 92.3 | Very high | 92.1 | Very high | 100 Ų | 100 | 102.6 Ų | 102.6 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 176.9 | -69.8 | -14.8 | 0 | 0 | 0 | 112.1 | K468 K469 V470 L474 M475 A476 | K468-N472 PolarHBondContact O-N 3.45Å; K468-N472 PolarHBondContact O-ND2 2.86Å; K468-N472 PolarHBondContact O-OD1 2.85Å; K469-N472 WeakPolarHBondContact O-CB 3.35Å; K469-N472 PolarHBondContact O-N 3.14Å; K469-N472 VanDerWaalsContact O-N 3.1Å; V470-N472 VanDerWaalsContact C-N 3.34Å; V470-N472 PolarHBondContact O-N 3.2Å; N472-L474 VanDerWaalsContact C-N 3.35Å; N472-M475 PolarHBondContact O-N 3.42Å; N472-A476 PolarHBondContact O-N 3Å |
| 473 | E | 94.4 | Very high | 91.8 | Very high | 124 Ų | 124 | 98.9 Ų | 98.9 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 174.4 | -71.7 | 170.4 | -168.1 | 0 | 0 | 111.4 | K469 V470 M475 A476 L477 | K469-E473 WeakPolarHBondContact O-CG 3.38Å; K469-E473 PolarHBondContact O-N 3.48Å; V470-E473 PolarHBondContact O-N 2.97Å; E473-M475 PolarHBondContact O-N 2.92Å; E473-A476 PolarHBondContact O-N 3.33Å; E473-L477 WeakPolarHBondContact O-CG 3.46Å; E473-L477 PolarHBondContact O-N 3.25Å |
| 474 | L | 92.5 | Very high | 91.6 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 172.8 | -110.1 | 158.9 | 0 | 0 | 0 | 112.1 | V470 Q471 N472 L477 K478 | V470-L474 HydrophobicContact CG1-CD1 4.48Å; V470-L474 WeakPolarHBondContact O-CB 3.49Å; V470-L474 PolarHBondContact O-N 3.28Å; Q471-L474 WeakPolarHBondContact O-CB 3.42Å; Q471-L474 PolarHBondContact O-N 2.97Å; N472-L474 VanDerWaalsContact C-N 3.35Å; L474-L477 PolarHBondContact O-N 2.88Å; L474-K478 VanDerWaalsContact O-CB 3.24Å; L474-K478 WeakPolarHBondContact O-CB 3.33Å; L474-K478 PolarHBondContact O-N 2.91Å |
| 475 | M | 91.9 | Very high | 91.2 | Very high | 113 Ų | 113 | 100 Ų | 100 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 175.5 | -73.4 | -68.2 | -128.6 | 0 | 0 | 112 | Q471 N472 E473 K478 A479 | Q471-M475 WeakPolarHBondContact O-CG 3.32Å; Q471-M475 PolarHBondContact O-N 3.44Å; N472-M475 PolarHBondContact O-N 3.42Å; E473-M475 PolarHBondContact O-N 2.92Å; M475-K478 PolarHBondContact O-N 3.07Å; M475-A479 WeakPolarHBondContact O-CB 3.46Å; M475-A479 PolarHBondContact O-N 3.32Å |
| 476 | A | 92.9 | Very high | 90.7 | Very high | 51 Ų | 51 | 101.1 Ų | 101.1 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N472 E473 A479 K480 | N472-A476 PolarHBondContact O-N 3Å; E473-A476 PolarHBondContact O-N 3.33Å; A476-A479 PolarHBondContact O-N 3.14Å; A476-K480 WeakPolarHBondContact O-CG 3.21Å; A476-K480 PolarHBondContact O-N 3.11Å |
| 477 | L | 93.3 | Very high | 90.1 | Very high | 99 Ų | 99 | 100.6 Ų | 100.6 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 172.9 | -77 | 169.9 | 0 | 0 | 0 | 111.1 | E473 L474 A479 K480 I481 | E473-L477 WeakPolarHBondContact O-CG 3.46Å; E473-L477 PolarHBondContact O-N 3.25Å; L474-L477 PolarHBondContact O-N 2.88Å; L477-A479 VanDerWaalsContact C-N 3.28Å; L477-A479 PolarHBondContact O-N 2.88Å; L477-K480 PolarHBondContact O-N 2.9Å; L477-K480 VanDerWaalsContact O-N 3.14Å; L477-I481 VanDerWaalsContact O-CG1 3.31Å; L477-I481 WeakPolarHBondContact O-CG1 3.33Å; L477-I481 PolarHBondContact O-N 2.81Å |
| 478 | K | 91.3 | Very high | 89.1 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 46% | 0.457 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.4 | -42.8 | 173.9 | 178.8 | 172.3 | 175.7 | 173.6 | 0 | 111.6 | L474 M475 I481 Y482 | L474-K478 VanDerWaalsContact O-CB 3.24Å; L474-K478 WeakPolarHBondContact O-CB 3.33Å; L474-K478 PolarHBondContact O-N 2.91Å; M475-K478 PolarHBondContact O-N 3.07Å; K478-I481 PolarHBondContact O-N 3.12Å; K478-Y482 HydrophobicContact CD-CE2 4.02Å; K478-Y482 WeakPolarHBondContact CE-OH 3.26Å; K478-Y482 HydrophobicContact CG-CD2 3.83Å; K478-Y482 HydrophobicContact CG-CE2 3.42Å; K478-Y482 VanDerWaalsContact CG-CE2 3.42Å; K478-Y482 WeakPolarHBondContact O-CD2 3.31Å; K478-Y482 PolarHBondContact O-N 3.02Å |
| 479 | A | 90.3 | Very high | 88 | Confident | 62 Ų | 62 | 106.1 Ų | 106.1 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | M475 A476 L477 Y482 G483 | M475-A479 WeakPolarHBondContact O-CB 3.46Å; M475-A479 PolarHBondContact O-N 3.32Å; A476-A479 PolarHBondContact O-N 3.14Å; L477-A479 VanDerWaalsContact C-N 3.28Å; L477-A479 PolarHBondContact O-N 2.88Å; A479-Y482 PolarHBondContact O-N 2.98Å; A479-G483 PolarHBondContact O-N 3.36Å |
| 480 | K | 91.6 | Very high | 86.4 | Confident | 145 Ų | 145 | 107.1 Ų | 107.1 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -42.7 | 175.3 | -73.6 | 178.3 | -179.4 | -179.2 | 0 | 112.2 | A476 L477 G483 L484 | A476-K480 WeakPolarHBondContact O-CG 3.21Å; A476-K480 PolarHBondContact O-N 3.11Å; L477-K480 PolarHBondContact O-N 2.9Å; L477-K480 VanDerWaalsContact O-N 3.14Å; K480-G483 PolarHBondContact O-N 3.4Å; K480-L484 WeakPolarHBondContact O-CG 3.45Å; K480-L484 PolarHBondContact O-N 2.89Å |
| 481 | I | 88.9 | Confident | 84.3 | Confident | 92 Ų | 92 | 110.5 Ų | 110.5 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.2 | -48 | 175.4 | -69 | 168.6 | 0 | 0 | 0 | 109.6 | L477 K478 G483 L484 E485 | L477-I481 VanDerWaalsContact O-CG1 3.31Å; L477-I481 WeakPolarHBondContact O-CG1 3.33Å; L477-I481 PolarHBondContact O-N 2.81Å; K478-I481 PolarHBondContact O-N 3.12Å; I481-G483 VanDerWaalsContact C-N 3.28Å; I481-G483 PolarHBondContact O-N 3.01Å; I481-L484 PolarHBondContact O-N 3.48Å; I481-E485 HydrophobicContact CG2-CG 4.23Å; I481-E485 WeakPolarHBondContact O-CB 3.37Å; I481-E485 WeakPolarHBondContact O-CG 3.48Å; I481-E485 PolarHBondContact O-N 3.14Å |
| 482 | Y | 88.7 | Confident | 83.9 | Confident | 119 Ų | 119 | 110.6 Ų | 110.6 | 47% | 0.467 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.5 | -33.6 | 175.5 | -74.8 | -51.3 | 0 | 0 | 0 | 113.5 | K478 A479 E485 N486 | K478-Y482 HydrophobicContact CD-CE2 4.02Å; K478-Y482 WeakPolarHBondContact CE-OH 3.26Å; K478-Y482 HydrophobicContact CG-CD2 3.83Å; K478-Y482 HydrophobicContact CG-CE2 3.42Å; K478-Y482 VanDerWaalsContact CG-CE2 3.42Å; K478-Y482 WeakPolarHBondContact O-CD2 3.31Å; K478-Y482 PolarHBondContact O-N 3.02Å; A479-Y482 PolarHBondContact O-N 2.98Å; Y482-E485 WeakPolarHBondContact CD1-OE2 3.45Å; Y482-N486 WeakPolarHBondContact O-CB 3.32Å; Y482-N486 VanDerWaalsContact O-CG 3.24Å; Y482-N486 PolarHBondContact O-N 3.31Å; Y482-N486 PolarHBondContact O-ND2 3.01Å |
| 483 | G | 86.2 | Confident | 83.5 | Confident | 31 Ų | 31 | 111.1 Ų | 111.1 | 32% | 0.32 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.9 | -51.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A479 K480 I481 N486 E487 | A479-G483 PolarHBondContact O-N 3.36Å; K480-G483 PolarHBondContact O-N 3.4Å; I481-G483 VanDerWaalsContact C-N 3.28Å; I481-G483 PolarHBondContact O-N 3.01Å; G483-N486 PolarHBondContact O-N 3.03Å; G483-E487 WeakPolarHBondContact O-CG 3.49Å; G483-E487 PolarHBondContact O-N 3.26Å |
| 484 | L | 86.6 | Confident | 82.9 | Confident | 100 Ų | 100 | 110.4 Ų | 110.4 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 177.3 | -68.9 | 172.6 | 0 | 0 | 0 | 112.6 | K480 I481 N486 E487 L488 | K480-L484 WeakPolarHBondContact O-CG 3.45Å; K480-L484 PolarHBondContact O-N 2.89Å; I481-L484 PolarHBondContact O-N 3.48Å; L484-N486 VanDerWaalsContact C-N 3.28Å; L484-N486 PolarHBondContact O-N 3.49Å; L484-E487 PolarHBondContact O-N 3.14Å; L484-L488 WeakPolarHBondContact O-CB 3.24Å; L484-L488 PolarHBondContact O-N 3.35Å |
| 485 | E | 83.8 | Confident | 82.3 | Confident | 88 Ų | 88 | 110.2 Ų | 110.2 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.4 | -35.1 | 174.8 | -76.1 | -179.7 | 169.9 | 0 | 0 | 112.1 | I481 Y482 R489 | I481-E485 HydrophobicContact CG2-CG 4.23Å; I481-E485 WeakPolarHBondContact O-CB 3.37Å; I481-E485 WeakPolarHBondContact O-CG 3.48Å; I481-E485 PolarHBondContact O-N 3.14Å; Y482-E485 WeakPolarHBondContact CD1-OE2 3.45Å; E485-R489 WeakPolarHBondContact O-CG 3.47Å; E485-R489 PolarHBondContact O-N 3.17Å |
| 486 | N | 80.3 | Confident | 81.7 | Confident | 90 Ų | 90 | 110 Ų | 110 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.8 | -39.7 | 175 | -77.4 | -23.8 | 0 | 0 | 0 | 111.9 | Y482 G483 L484 R489 I490 | Y482-N486 WeakPolarHBondContact O-CB 3.32Å; Y482-N486 VanDerWaalsContact O-CG 3.24Å; Y482-N486 PolarHBondContact O-N 3.31Å; Y482-N486 PolarHBondContact O-ND2 3.01Å; G483-N486 PolarHBondContact O-N 3.03Å; L484-N486 VanDerWaalsContact C-N 3.28Å; L484-N486 PolarHBondContact O-N 3.49Å; N486-R489 PolarHBondContact O-N 3.28Å; N486-I490 WeakPolarHBondContact O-CD1 3.44Å; N486-I490 VanDerWaalsContact O-CG1 3.32Å; N486-I490 WeakPolarHBondContact O-CG1 3.33Å; N486-I490 PolarHBondContact O-N 2.76Å |
| 487 | E | 81.1 | Confident | 81 | Confident | 136 Ų | 136 | 113.9 Ų | 113.9 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.5 | -42.3 | 174.7 | -72.6 | 174.5 | -173.3 | 0 | 0 | 111.6 | G483 L484 R489 I490 S491 | G483-E487 WeakPolarHBondContact O-CG 3.49Å; G483-E487 PolarHBondContact O-N 3.26Å; L484-E487 PolarHBondContact O-N 3.14Å; E487-R489 PolarHBondContact O-N 3.15Å; E487-I490 PolarHBondContact O-N 3.21Å; E487-S491 PolarHBondContact O-N 3.01Å |
| 488 | L | 72.1 | Confident | 80.1 | Confident | 135 Ų | 135 | 115 Ų | 115 | 71% | 0.707 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68 | -17.3 | 174.5 | -83.2 | 159.7 | 0 | 0 | 0 | 114.3 | L484 | L484-L488 WeakPolarHBondContact O-CB 3.24Å; L484-L488 PolarHBondContact O-N 3.35Å |
| 489 | R | 71.1 | Confident | 79.2 | Confident | 200 Ų | 200 | 115.8 Ų | 115.8 | 76% | 0.755 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -88.4 | -17.1 | 174.3 | -85.8 | -177.9 | -173.2 | -173.5 | 4.5 | 113.6 | E485 N486 E487 | E485-R489 WeakPolarHBondContact O-CG 3.47Å; E485-R489 PolarHBondContact O-N 3.17Å; N486-R489 PolarHBondContact O-N 3.28Å; E487-R489 PolarHBondContact O-N 3.15Å |
| 490 | I | 59.5 | Low | 78.3 | Confident | 153 Ų | 153 | 120.3 Ų | 120.3 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -101.2 | -19.7 | -176.1 | -63.2 | 167 | 0 | 0 | 0 | 111.2 | N486 E487 | N486-I490 WeakPolarHBondContact O-CD1 3.44Å; N486-I490 VanDerWaalsContact O-CG1 3.32Å; N486-I490 WeakPolarHBondContact O-CG1 3.33Å; N486-I490 PolarHBondContact O-N 2.76Å; E487-I490 PolarHBondContact O-N 3.21Å |
| 491 | S | 49.9 | Very low | 77.1 | Confident | 154 Ų | 154 | 118 Ų | 118 | 100% | 1.077 | 60% | 0.603 | S | S | * | * | trans | -88.4 | 0 | 164.6 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | E487 | E487-S491 PolarHBondContact O-N 3.01Š|
Retrieved 491 of 491 residues in 835.8 ms
(Link to these results)