| 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 | 44.7 | Very low | 38.3 | Very low | 212 Ų | 212 | 159.2 Ų | 159.2 | 100% | 1.044 | 78% | 0.775 | S | S | * | * | 0 | -28.5 | 0 | -72.3 | -69.7 | -144.9 | 0 | 0 | 115.5 | |||||
| 2 | K | 39.3 | Very low | 37.9 | Very low | 202 Ų | 202 | 160.5 Ų | 160.5 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -15.3 | 178.3 | -70.8 | -179.7 | 178 | 178.1 | 0 | 115.3 | ||
| 3 | S | 46.7 | Very low | 38.3 | Very low | 98 Ų | 98 | 155.5 Ų | 155.5 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -21.6 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 4 | L | 38.8 | Very low | 39.1 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 67% | 0.665 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -27.1 | 176.2 | -79.8 | 160.8 | 0 | 0 | 0 | 113.1 | A6 K7 | L4-A6 PolarHBondContact O-N 2.81Å; L4-K7 PolarHBondContact O-N 3Å |
| 5 | K | 36.5 | Very low | 40.5 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -18.7 | 171.7 | -90.8 | -176.9 | 173.4 | 179.4 | 0 | 113.7 | K9 | K5-K9 WeakPolarHBondContact O-CB 3.46Š|
| 6 | A | 35.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 147.1 Ų | 147.1 | 58% | 0.579 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -18.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L4 | L4-A6 PolarHBondContact O-N 2.81Š|
| 7 | K | 36.7 | Very low | 44.9 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -12.9 | 176.1 | -76.1 | -171.7 | 175 | -177.3 | 0 | 114.2 | L4 | L4-K7 PolarHBondContact O-N 3Š|
| 8 | F | 36.4 | Very low | 47 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -108.1 | 2.2 | 177.3 | -97.1 | -84.3 | 0 | 0 | 0 | 114.4 | ||
| 9 | K | 33.3 | Very low | 48.8 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 73% | 0.73 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -122.8 | 38.9 | -177.6 | -158.4 | 165.1 | -178.1 | 171.1 | 0 | 113.2 | K5 | K5-K9 WeakPolarHBondContact O-CB 3.46Š|
| 10 | K | 35.3 | Very low | 50.7 | Low | 188 Ų | 188 | 130.8 Ų | 130.8 | 82% | 0.817 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -131.9 | 39.2 | 176 | -151.6 | -174.1 | -176.2 | -177.2 | 0 | 112.7 | ||
| 11 | N | 37.6 | Very low | 52.4 | Low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | trans | -130.1 | 17 | 176.2 | -120.9 | 31.9 | 0 | 0 | 0 | 114.1 | ||||
| 12 | E | 34.6 | Very low | 54.4 | Low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -111.3 | 18.9 | -172.7 | -77.8 | -178.6 | 153.2 | 0 | 0 | 115.5 | ||
| 13 | S | 42.8 | Very low | 56.8 | Low | 95 Ų | 95 | 116.8 Ų | 116.8 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | trans | -155.9 | 85 | 160.1 | 69.4 | 0 | 0 | 0 | 0 | 110.7 | D15 | S13-D15 VanDerWaalsContact C-N 3.35Å; S13-D15 PolarHBondContact O-N 3.27Å | ||
| 14 | Q | 49.6 | Very low | 58.8 | Low | 114 Ų | 114 | 112.7 Ų | 112.7 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | trans | -89.1 | 76.9 | 176 | -126.4 | -177.9 | 2.3 | 0 | 0 | 108.9 | W16 K48 | Q14-W16 PolarHBondContact O-N 3.07Å; Q14-K48 WeakPolarHBondContact O-CE 3.45Å; Q14-K48 PolarHBondContact O-NZ 3.05Å; Q14-K48 VanDerWaalsContact O-NZ 3.1Å | ||
| 15 | D | 59.5 | Low | 61.2 | Low | 131 Ų | 131 | 111.4 Ų | 111.4 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 136.8 | 176 | -61.7 | -31.9 | 0 | 0 | 0 | 110.5 | S13 S17 K48 | S13-D15 VanDerWaalsContact C-N 3.35Å; S13-D15 PolarHBondContact O-N 3.27Å; D15-S17 PolarHBondContact O-N 3.39Å; D15-K48 PolarHBondContact O-NZ 3.14Å |
| 16 | W | 75.3 | Confident | 63.8 | Low | 88 Ų | 88 | 103.4 Ų | 103.4 | 33% | 0.333 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 119.1 | 174.8 | -173.7 | -100 | 0 | 0 | 0 | 109.5 | Q14 D20 E21 L24 K48 L49 D50 | Q14-W16 PolarHBondContact O-N 3.07Å; W16-D20 HydrophobicContact CD2-CB 3.84Å; W16-D20 HydrophobicContact CE3-CB 3.94Å; W16-D20 HydrophobicContact CH2-CB 3.78Å; W16-D20 HydrophobicContact CZ2-CB 3.68Å; W16-D20 HydrophobicContact CZ3-CB 3.92Å; W16-E21 PolarHBondContact NE1-OE2 3.32Å; W16-E21 VanDerWaalsContact NE1-OE2 3.14Å; W16-L24 HydrophobicContact CH2-CD1 3.64Å; W16-L24 HydrophobicContact CH2-CD2 4.14Å; W16-L24 HydrophobicContact CH2-CG 3.87Å; W16-L24 HydrophobicContact CZ2-CD1 3.37Å; W16-L24 HydrophobicContact CZ2-CG 3.84Å; W16-K48 HydrophobicContact CE3-CD 4.35Å; W16-K48 HydrophobicContact CE3-CG 4.37Å; W16-K48 HydrophobicContact CZ3-CG 4.26Å; W16-L49 WeakPolarHBondContact CZ3-O 3.16Å; W16-D50 HydrophobicContact CD2-CB 4.41Å; W16-D50 HydrophobicContact CE3-CB 4.21Å; W16-D50 HydrophobicContact CH2-CB 3.52Å; W16-D50 HydrophobicContact CZ2-CB 3.72Å; W16-D50 HydrophobicContact CZ3-CB 3.77Å |
| 17 | S | 80.7 | Confident | 66.4 | Low | 42 Ų | 42 | 100.1 Ų | 100.1 | 29% | 0.294 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 156.5 | -172.9 | 76.8 | 0 | 0 | 0 | 0 | 111.3 | D15 S19 D20 E21 | D15-S17 PolarHBondContact O-N 3.39Å; S17-S19 PolarHBondContact O-N 2.91Å; S17-S19 WeakPolarHBondContact OG-CB 3.43Å; S17-S19 PolarHBondContact OG-N 3.4Å; S17-D20 WeakPolarHBondContact CB-OD2 3.2Å; S17-D20 PolarHBondContact N-OD2 3.23Å; S17-D20 WeakPolarHBondContact O-CB 3.36Å; S17-D20 PolarHBondContact O-N 2.95Å; S17-D20 VanDerWaalsContact OG-CG 3.29Å; S17-D20 PolarHBondContact OG-N 3.39Å; S17-D20 PolarHBondContact OG-OD2 2.92Å; S17-E21 PolarHBondContact O-N 2.91Å |
| 18 | K | 82.1 | Confident | 68.9 | Low | 183 Ų | 183 | 96 Ų | 96 | 80% | 0.796 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -56.1 | -16.5 | 168.9 | -71 | -176.8 | 179.7 | 178.9 | 0 | 113.5 | R22 | K18-R22 WeakPolarHBondContact O-CG 3.42Å; K18-R22 PolarHBondContact O-N 3.21Å |
| 19 | S | 82.8 | Confident | 71.4 | Confident | 30 Ų | 30 | 91.6 Ų | 91.6 | 21% | 0.21 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -80.6 | -32.7 | 175 | -52.1 | 0 | 0 | 0 | 0 | 112 | S17 R22 L23 K42 L44 | S17-S19 PolarHBondContact O-N 2.91Å; S17-S19 WeakPolarHBondContact OG-CB 3.43Å; S17-S19 PolarHBondContact OG-N 3.4Å; S19-R22 PolarHBondContact O-N 3.46Å; S19-L23 PolarHBondContact O-N 2.92Å; S19-L23 VanDerWaalsContact O-N 3.11Å; S19-K42 PolarHBondContact OG-NZ 2.91Å; S19-L44 WeakPolarHBondContact O-CD1 3.45Å |
| 20 | D | 85.9 | Confident | 74.2 | Confident | 7 Ų | 7 | 86 Ų | 86 | 4% | 0.037 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 174.7 | -57.9 | -49.5 | 0 | 0 | 0 | 109.7 | W16 S17 R22 L23 L24 K48 | W16-D20 HydrophobicContact CD2-CB 3.84Å; W16-D20 HydrophobicContact CE3-CB 3.94Å; W16-D20 HydrophobicContact CH2-CB 3.78Å; W16-D20 HydrophobicContact CZ2-CB 3.68Å; W16-D20 HydrophobicContact CZ3-CB 3.92Å; S17-D20 WeakPolarHBondContact CB-OD2 3.2Å; S17-D20 PolarHBondContact N-OD2 3.23Å; S17-D20 WeakPolarHBondContact O-CB 3.36Å; S17-D20 PolarHBondContact O-N 2.95Å; S17-D20 VanDerWaalsContact OG-CG 3.29Å; S17-D20 PolarHBondContact OG-N 3.39Å; S17-D20 PolarHBondContact OG-OD2 2.92Å; D20-R22 VanDerWaalsContact C-N 3.32Å; D20-R22 PolarHBondContact O-N 3.35Å; D20-L23 WeakPolarHBondContact O-CA 3.37Å; D20-L23 WeakPolarHBondContact O-CB 3.37Å; D20-L23 PolarHBondContact O-N 2.91Å; D20-L24 PolarHBondContact O-N 3.38Å; D20-K48 IonicContact OD2-NZ 3.61Å; D20-K48 PolarHBondContact OD2-NZ 2.89Å |
| 21 | E | 86.4 | Confident | 76.9 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 172.6 | -163.9 | 60.5 | -145.5 | 0 | 0 | 112.6 | W16 S17 L23 L24 Q25 | W16-E21 PolarHBondContact NE1-OE2 3.32Å; W16-E21 VanDerWaalsContact NE1-OE2 3.14Å; S17-E21 PolarHBondContact O-N 2.91Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.43Å; E21-L24 PolarHBondContact O-N 2.86Å; E21-Q25 WeakPolarHBondContact O-CB 3.3Å; E21-Q25 PolarHBondContact O-N 2.84Å |
| 22 | R | 87.4 | Confident | 79.4 | Confident | 148 Ų | 148 | 74.6 Ų | 74.6 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.7 | -29.3 | 175.9 | -72.8 | 175.6 | -174.5 | -175.2 | 3.1 | 112.4 | K18 S19 D20 A26 L38 | K18-R22 WeakPolarHBondContact O-CG 3.42Å; K18-R22 PolarHBondContact O-N 3.21Å; S19-R22 PolarHBondContact O-N 3.46Å; D20-R22 VanDerWaalsContact C-N 3.32Å; D20-R22 PolarHBondContact O-N 3.35Å; R22-A26 VanDerWaalsContact O-CB 3.3Å; R22-A26 WeakPolarHBondContact O-CB 3.29Å; R22-A26 PolarHBondContact O-N 3.3Å; R22-L38 HydrophobicContact CB-CD1 4.38Å |
| 23 | L | 88.8 | Confident | 82 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70 | -44.7 | 174.8 | -178.4 | 65.4 | 0 | 0 | 0 | 110.4 | S19 D20 E21 Q25 A26 V27 V35 L38 I39 L44 P46 A56 | S19-L23 PolarHBondContact O-N 2.92Å; S19-L23 VanDerWaalsContact O-N 3.11Å; D20-L23 WeakPolarHBondContact O-CA 3.37Å; D20-L23 WeakPolarHBondContact O-CB 3.37Å; D20-L23 PolarHBondContact O-N 2.91Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.43Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; L23-Q25 PolarHBondContact O-N 3.43Å; L23-A26 PolarHBondContact O-N 3.5Å; L23-V27 WeakPolarHBondContact O-CG2 3.26Å; L23-V27 PolarHBondContact O-N 3.48Å; L23-V35 HydrophobicContact CD1-CB 4.43Å; L23-V35 HydrophobicContact CD1-CG1 4.07Å; L23-V35 HydrophobicContact CD1-CG2 4.42Å; L23-L38 HydrophobicContact CB-CD1 4.32Å; L23-L38 HydrophobicContact CD1-CB 4.05Å; L23-L38 HydrophobicContact CD1-CD1 4.27Å; L23-I39 HydrophobicContact CD1-CG1 4.27Å; L23-L44 HydrophobicContact CB-CD1 4.16Å; L23-L44 HydrophobicContact CD2-CB 4.18Å; L23-L44 HydrophobicContact CD2-CD1 4.34Å; L23-P46 HydrophobicContact CD2-CB 4.48Å; L23-A56 HydrophobicContact CD2-CB 3.92Å; L23-A56 HydrophobicContact CG-CB 3.89Å |
| 24 | L | 88.9 | Confident | 84.2 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 173.5 | -61.7 | -174.1 | 0 | 0 | 0 | 111.5 | W16 D20 E21 A26 V27 E28 D50 A56 L59 | W16-L24 HydrophobicContact CH2-CD1 3.64Å; W16-L24 HydrophobicContact CH2-CD2 4.14Å; W16-L24 HydrophobicContact CH2-CG 3.87Å; W16-L24 HydrophobicContact CZ2-CD1 3.37Å; W16-L24 HydrophobicContact CZ2-CG 3.84Å; D20-L24 PolarHBondContact O-N 3.38Å; E21-L24 PolarHBondContact O-N 2.86Å; L24-A26 PolarHBondContact O-N 2.87Å; L24-V27 WeakPolarHBondContact O-CB 3.37Å; L24-V27 PolarHBondContact O-N 3.47Å; L24-E28 PolarHBondContact O-N 2.86Å; L24-D50 HydrophobicContact CD1-CB 4.11Å; L24-A56 HydrophobicContact CD2-CB 3.86Å; L24-L59 HydrophobicContact CB-CD1 3.93Å; L24-L59 HydrophobicContact CD1-CD1 4.28Å; L24-L59 HydrophobicContact CD2-CD1 3.54Å; L24-L59 HydrophobicContact CD2-CG 4.35Å; L24-L59 HydrophobicContact CG-CD1 4.11Å |
| 25 | Q | 89 | Confident | 86.1 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 179 | -169.6 | 175.7 | 24.7 | 0 | 0 | 112.4 | E21 L23 V27 E28 Q29 | E21-Q25 WeakPolarHBondContact O-CB 3.3Å; E21-Q25 PolarHBondContact O-N 2.84Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; L23-Q25 PolarHBondContact O-N 3.43Å; Q25-V27 VanDerWaalsContact C-N 3.33Å; Q25-E28 PolarHBondContact O-N 2.96Å; Q25-Q29 WeakPolarHBondContact O-CB 3.48Å; Q25-Q29 WeakPolarHBondContact O-CG 3.18Å; Q25-Q29 PolarHBondContact O-N 3.48Å |
| 26 | A | 90.4 | Very high | 87.6 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R22 L23 L24 N30 E31 K34 V35 L38 | R22-A26 VanDerWaalsContact O-CB 3.3Å; R22-A26 WeakPolarHBondContact O-CB 3.29Å; R22-A26 PolarHBondContact O-N 3.3Å; L23-A26 PolarHBondContact O-N 3.5Å; L24-A26 PolarHBondContact O-N 2.87Å; A26-N30 PolarHBondContact O-N 3.29Å; A26-E31 PolarHBondContact O-N 2.87Å; A26-K34 HydrophobicContact CB-CB 4.19Å; A26-V35 HydrophobicContact CB-CG2 3.91Å; A26-L38 HydrophobicContact CB-CD1 4.33Å |
| 27 | V | 91.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 171.9 | 165.8 | 0 | 0 | 0 | 0 | 111 | L23 L24 Q25 Q29 N30 V35 A56 L59 C60 I72 | L23-V27 WeakPolarHBondContact O-CG2 3.26Å; L23-V27 PolarHBondContact O-N 3.48Å; L24-V27 WeakPolarHBondContact O-CB 3.37Å; L24-V27 PolarHBondContact O-N 3.47Å; Q25-V27 VanDerWaalsContact C-N 3.33Å; V27-Q29 PolarHBondContact O-N 3.47Å; V27-N30 PolarHBondContact O-N 2.94Å; V27-V35 HydrophobicContact CG2-CG2 3.76Å; V27-A56 HydrophobicContact CG2-CB 4.17Å; V27-L59 HydrophobicContact CG1-CB 3.97Å; V27-C60 HydrophobicContact CG1-CB 4.32Å; V27-C60 WeakPolarHBondContact CG1-SG 3.45Å; V27-I72 HydrophobicContact CG2-CD1 4.38Å |
| 28 | E | 89.3 | Confident | 88.5 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | -179.8 | -172.5 | 161.7 | -147.4 | 0 | 0 | 112 | L24 Q25 N30 R63 R65 | L24-E28 PolarHBondContact O-N 2.86Å; Q25-E28 PolarHBondContact O-N 2.96Å; E28-N30 VanDerWaalsContact C-N 3.3Å; E28-N30 PolarHBondContact O-N 3.12Å; E28-R63 IonicContact OE1-CZ 2.79Å; E28-R63 IonicContact OE1-NH1 2.81Å; E28-R63 IonicContact OE1-NH2 2.72Å; E28-R63 PolarHBondContact OE1-NH2 3.1Å; E28-R65 PolarHBondContact O-NH2 3.25Å |
| 29 | Q | 89.4 | Confident | 88.7 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.1 | 176.1 | -66.7 | 175.9 | 7.1 | 0 | 0 | 114.2 | Q25 V27 E31 | Q25-Q29 WeakPolarHBondContact O-CB 3.48Å; Q25-Q29 WeakPolarHBondContact O-CG 3.18Å; Q25-Q29 PolarHBondContact O-N 3.48Å; V27-Q29 PolarHBondContact O-N 3.47Å; Q29-E31 HydrophobicContact CB-CG 4.12Å |
| 30 | N | 90.9 | Very high | 88.9 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 48.5 | -176.1 | -161.4 | 46.7 | 0 | 0 | 0 | 114.3 | A26 V27 E28 P32 R65 C68 | A26-N30 PolarHBondContact O-N 3.29Å; V27-N30 PolarHBondContact O-N 2.94Å; E28-N30 VanDerWaalsContact C-N 3.3Å; E28-N30 PolarHBondContact O-N 3.12Å; N30-P32 WeakPolarHBondContact O-CD 3.27Å; N30-R65 WeakPolarHBondContact OD1-CB 3.28Å; N30-C68 PolarHBondContact OD1-SG 3.5Å |
| 31 | E | 92.1 | Very high | 88.7 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | trans | -107.7 | 84.9 | -179.3 | -65.5 | -177.5 | 137.8 | 0 | 0 | 111.9 | A26 Q29 D33 K34 V35 | A26-E31 PolarHBondContact O-N 2.87Å; Q29-E31 HydrophobicContact CB-CG 4.12Å; E31-D33 VanDerWaalsContact C-N 3.29Å; E31-D33 PolarHBondContact O-N 2.81Å; E31-K34 HydrophobicContact CB-CB 4.19Å; E31-K34 HydrophobicContact CB-CG 4.27Å; E31-K34 VanDerWaalsContact CD-CE 3.47Å; E31-K34 PolarHBondContact O-N 3.45Å; E31-K34 VanDerWaalsContact O-N 3.15Å; E31-K34 WeakPolarHBondContact OE1-CE 3.44Å; E31-K34 IonicContact OE1-NZ 3.11Å; E31-K34 PolarHBondContact OE1-NZ 2.82Å; E31-K34 WeakPolarHBondContact OE2-CD 3.48Å; E31-K34 WeakPolarHBondContact OE2-CE 3.39Å; E31-K34 IonicContact OE2-NZ 2.84Å; E31-K34 PolarHBondContact OE2-NZ 3.02Å; E31-V35 WeakPolarHBondContact O-CG2 3.45Å; E31-V35 PolarHBondContact O-N 3.23Å; E31-V35 VanDerWaalsContact O-N 3.08Å | ||
| 32 | P | 90.3 | Very high | 88.4 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 21% | 0.214 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -33.3 | -172.9 | 25 | -35.1 | 0 | 0 | 0 | 113.1 | N30 K34 V35 T36 D67 V71 | N30-P32 WeakPolarHBondContact O-CD 3.27Å; P32-K34 PolarHBondContact O-N 3.31Å; P32-V35 PolarHBondContact O-N 2.9Å; P32-T36 WeakPolarHBondContact O-CB 3.49Å; P32-T36 PolarHBondContact O-N 3.22Å; P32-T36 PolarHBondContact O-OG1 2.99Å; P32-D67 HydrophobicContact CB-CB 4.12Å; P32-D67 HydrophobicContact CG-CB 4.03Å; P32-V71 HydrophobicContact CB-CG2 3.94Å |
| 33 | D | 90.4 | Very high | 88 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 177.8 | -66.1 | -33.2 | 0 | 0 | 0 | 112.3 | E31 A37 | E31-D33 VanDerWaalsContact C-N 3.29Å; E31-D33 PolarHBondContact O-N 2.81Å; D33-A37 WeakPolarHBondContact O-CB 3.31Å; D33-A37 PolarHBondContact O-N 3.08Å |
| 34 | K | 88.9 | Confident | 87.8 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.4 | -38.9 | 177.3 | -64.2 | -162.4 | -155.1 | 151.4 | 0 | 110.6 | A26 E31 P32 A37 L38 | A26-K34 HydrophobicContact CB-CB 4.19Å; E31-K34 HydrophobicContact CB-CB 4.19Å; E31-K34 HydrophobicContact CB-CG 4.27Å; E31-K34 VanDerWaalsContact CD-CE 3.47Å; E31-K34 PolarHBondContact O-N 3.45Å; E31-K34 VanDerWaalsContact O-N 3.15Å; E31-K34 WeakPolarHBondContact OE1-CE 3.44Å; E31-K34 IonicContact OE1-NZ 3.11Å; E31-K34 PolarHBondContact OE1-NZ 2.82Å; E31-K34 WeakPolarHBondContact OE2-CD 3.48Å; E31-K34 WeakPolarHBondContact OE2-CE 3.39Å; E31-K34 IonicContact OE2-NZ 2.84Å; E31-K34 PolarHBondContact OE2-NZ 3.02Å; P32-K34 PolarHBondContact O-N 3.31Å; K34-A37 PolarHBondContact O-N 3.07Å; K34-L38 WeakPolarHBondContact O-CB 3.48Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 3.33Å |
| 35 | V | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 172.3 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L23 A26 V27 E31 P32 A37 L38 I39 V71 I72 | L23-V35 HydrophobicContact CD1-CB 4.43Å; L23-V35 HydrophobicContact CD1-CG1 4.07Å; L23-V35 HydrophobicContact CD1-CG2 4.42Å; A26-V35 HydrophobicContact CB-CG2 3.91Å; V27-V35 HydrophobicContact CG2-CG2 3.76Å; E31-V35 WeakPolarHBondContact O-CG2 3.45Å; E31-V35 PolarHBondContact O-N 3.23Å; E31-V35 VanDerWaalsContact O-N 3.08Å; P32-V35 PolarHBondContact O-N 2.9Å; V35-A37 PolarHBondContact O-N 3.17Å; V35-L38 PolarHBondContact O-N 3.16Å; V35-I39 HydrophobicContact CG1-CD1 3.69Å; V35-I39 WeakPolarHBondContact O-CG1 3.46Å; V35-I39 PolarHBondContact O-N 3.41Å; V35-V71 HydrophobicContact CG1-CG1 4.12Å; V35-I72 HydrophobicContact CG1-CD1 4.24Å; V35-I72 HydrophobicContact CG1-CG1 3.93Å |
| 36 | T | 90.2 | Very high | 87.4 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.6 | -49.5 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | P32 L38 I39 V40 V71 | P32-T36 WeakPolarHBondContact O-CB 3.49Å; P32-T36 PolarHBondContact O-N 3.22Å; P32-T36 PolarHBondContact O-OG1 2.99Å; T36-L38 VanDerWaalsContact C-N 3.31Å; T36-L38 PolarHBondContact O-N 2.92Å; T36-I39 PolarHBondContact O-N 2.91Å; T36-V40 HydrophobicContact CG2-CG2 4.27Å; T36-V40 WeakPolarHBondContact O-CB 3.47Å; T36-V40 WeakPolarHBondContact O-CG2 3.09Å; T36-V40 PolarHBondContact O-N 3.19Å; T36-V71 WeakPolarHBondContact OG1-CG1 3.46Å |
| 37 | A | 88.3 | Confident | 87.3 | Confident | 33 Ų | 33 | 59 Ų | 59 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D33 K34 V35 K41 | D33-A37 WeakPolarHBondContact O-CB 3.31Å; D33-A37 PolarHBondContact O-N 3.08Å; K34-A37 PolarHBondContact O-N 3.07Å; V35-A37 PolarHBondContact O-N 3.17Å; A37-K41 HydrophobicContact CB-CD 4.36Å; A37-K41 WeakPolarHBondContact O-CA 3.49Å; A37-K41 WeakPolarHBondContact O-CB 3.28Å; A37-K41 WeakPolarHBondContact O-CG 3.49Å; A37-K41 PolarHBondContact O-N 3.32Å |
| 38 | L | 86.4 | Confident | 87 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.1 | -39 | 178.6 | -72.3 | 172.6 | 0 | 0 | 0 | 112 | R22 L23 A26 K34 V35 T36 K42 L44 | R22-L38 HydrophobicContact CB-CD1 4.38Å; L23-L38 HydrophobicContact CB-CD1 4.32Å; L23-L38 HydrophobicContact CD1-CB 4.05Å; L23-L38 HydrophobicContact CD1-CD1 4.27Å; A26-L38 HydrophobicContact CB-CD1 4.33Å; K34-L38 WeakPolarHBondContact O-CB 3.48Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 3.33Å; V35-L38 PolarHBondContact O-N 3.16Å; T36-L38 VanDerWaalsContact C-N 3.31Å; T36-L38 PolarHBondContact O-N 2.92Å; L38-K42 HydrophobicContact CD2-CD 3.95Å; L38-K42 WeakPolarHBondContact O-CB 3.42Å; L38-K42 PolarHBondContact O-N 2.88Å; L38-L44 HydrophobicContact CB-CD1 4.14Å |
| 39 | I | 87.1 | Confident | 86.9 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.4 | -51.7 | 176.1 | -65.6 | 168.1 | 0 | 0 | 0 | 110.2 | L23 V35 T36 G43 P46 I72 H75 | L23-I39 HydrophobicContact CD1-CG1 4.27Å; V35-I39 HydrophobicContact CG1-CD1 3.69Å; V35-I39 WeakPolarHBondContact O-CG1 3.46Å; V35-I39 PolarHBondContact O-N 3.41Å; T36-I39 PolarHBondContact O-N 2.91Å; I39-G43 WeakPolarHBondContact O-CA 3.26Å; I39-G43 PolarHBondContact O-N 3.38Å; I39-P46 HydrophobicContact CD1-CB 4.14Å; I39-P46 HydrophobicContact CD1-CG 4.2Å; I39-I72 HydrophobicContact CD1-CG1 3.86Å; I39-H75 HydrophobicContact CG2-CB 4.08Å |
| 40 | V | 86.1 | Confident | 86.6 | Confident | 91 Ų | 91 | 55.7 Ų | 55.7 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -75.7 | -46.3 | -173.6 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | T36 H75 | T36-V40 HydrophobicContact CG2-CG2 4.27Å; T36-V40 WeakPolarHBondContact O-CB 3.47Å; T36-V40 WeakPolarHBondContact O-CG2 3.09Å; T36-V40 PolarHBondContact O-N 3.19Å; V40-H75 WeakPolarHBondContact CG2-CE1 3.37Å |
| 41 | K | 81.7 | Confident | 86 | Confident | 175 Ų | 175 | 58 Ų | 58 | 76% | 0.761 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -81.8 | -31.1 | -173.3 | -57.9 | -179.8 | 177.5 | 175.2 | 0 | 113.1 | A37 | A37-K41 HydrophobicContact CB-CD 4.36Å; A37-K41 WeakPolarHBondContact O-CA 3.49Å; A37-K41 WeakPolarHBondContact O-CB 3.28Å; A37-K41 WeakPolarHBondContact O-CG 3.49Å; A37-K41 PolarHBondContact O-N 3.32Å |
| 42 | K | 80.6 | Confident | 85.3 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -104.3 | -8.1 | 179.9 | -65.4 | -170.4 | 171.1 | -171.5 | 0 | 113.8 | S19 L38 L44 | S19-K42 PolarHBondContact OG-NZ 2.91Å; L38-K42 HydrophobicContact CD2-CD 3.95Å; L38-K42 WeakPolarHBondContact O-CB 3.42Å; L38-K42 PolarHBondContact O-N 2.88Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 HydrophobicContact CB-CD2 4.35Å; K42-L44 HydrophobicContact CB-CG 4Å; K42-L44 PolarHBondContact O-N 3.36Å |
| 43 | G | 79.5 | Confident | 84.9 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | trans | 65.4 | 33 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | I39 | I39-G43 WeakPolarHBondContact O-CA 3.26Å; I39-G43 PolarHBondContact O-N 3.38Å | ||
| 44 | L | 84.6 | Confident | 84.6 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | trans | -74.1 | 140.2 | 179.7 | -60.7 | -177.8 | 0 | 0 | 0 | 110.8 | S19 L23 L38 K42 P46 | S19-L44 WeakPolarHBondContact O-CD1 3.45Å; L23-L44 HydrophobicContact CB-CD1 4.16Å; L23-L44 HydrophobicContact CD2-CB 4.18Å; L23-L44 HydrophobicContact CD2-CD1 4.34Å; L38-L44 HydrophobicContact CB-CD1 4.14Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 HydrophobicContact CB-CD2 4.35Å; K42-L44 HydrophobicContact CB-CG 4Å; K42-L44 PolarHBondContact O-N 3.36Å; L44-P46 WeakPolarHBondContact O-CD 3.35Å | ||
| 45 | C | 84.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | trans | -87.1 | 111.4 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | T47 K48 | C45-T47 PolarHBondContact O-N 3.44Å; C45-K48 HydrophobicContact CB-CB 4.38Å; C45-K48 WeakPolarHBondContact O-CB 3.44Å; C45-K48 PolarHBondContact O-N 2.88Å | ||
| 46 | P | 85.2 | Confident | 84.6 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -11.4 | -177.8 | 28.7 | -35.5 | 0 | 0 | 0 | 114 | L23 I39 L44 S55 A56 F57 I72 A77 | L23-P46 HydrophobicContact CD2-CB 4.48Å; I39-P46 HydrophobicContact CD1-CB 4.14Å; I39-P46 HydrophobicContact CD1-CG 4.2Å; L44-P46 WeakPolarHBondContact O-CD 3.35Å; P46-S55 WeakPolarHBondContact O-CB 3.43Å; P46-A56 PolarHBondContact O-N 2.99Å; P46-F57 PolarHBondContact O-N 2.97Å; P46-F57 VanDerWaalsContact O-N 3.07Å; P46-I72 HydrophobicContact CB-CB 4.48Å; P46-I72 HydrophobicContact CB-CD1 4.19Å; P46-I72 HydrophobicContact CB-CG1 4.02Å; P46-I72 HydrophobicContact CB-CG2 3.69Å; P46-I72 HydrophobicContact CG-CG2 3.69Å; P46-A77 HydrophobicContact CG-CB 3.89Å |
| 47 | T | 87.1 | Confident | 84.6 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 20% | 0.202 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -3.8 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | C45 L49 S55 A77 D78 V81 | C45-T47 PolarHBondContact O-N 3.44Å; T47-L49 PolarHBondContact O-N 3.23Å; T47-S55 WeakPolarHBondContact O-CB 3.39Å; T47-A77 HydrophobicContact CG2-CB 4.06Å; T47-D78 HydrophobicContact CG2-CB 4.46Å; T47-D78 WeakPolarHBondContact CG2-O 3.47Å; T47-V81 HydrophobicContact CG2-CG2 4.13Å |
| 48 | K | 85.3 | Confident | 84.8 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | trans | -64 | 134 | 177.4 | -173.3 | 179.2 | 176.1 | -173.4 | 0 | 110.4 | Q14 D15 W16 D20 C45 S55 | Q14-K48 WeakPolarHBondContact O-CE 3.45Å; Q14-K48 PolarHBondContact O-NZ 3.05Å; Q14-K48 VanDerWaalsContact O-NZ 3.1Å; D15-K48 PolarHBondContact O-NZ 3.14Å; W16-K48 HydrophobicContact CE3-CD 4.35Å; W16-K48 HydrophobicContact CE3-CG 4.37Å; W16-K48 HydrophobicContact CZ3-CG 4.26Å; D20-K48 IonicContact OD2-NZ 3.61Å; D20-K48 PolarHBondContact OD2-NZ 2.89Å; C45-K48 HydrophobicContact CB-CB 4.38Å; C45-K48 WeakPolarHBondContact O-CB 3.44Å; C45-K48 PolarHBondContact O-N 2.88Å; K48-S55 VanDerWaalsContact O-CA 3.26Å; K48-S55 WeakPolarHBondContact O-CA 3.21Å; K48-S55 WeakPolarHBondContact O-CB 3.37Å | ||
| 49 | L | 87.1 | Confident | 84.9 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 139.8 | -179.1 | -53.6 | -179.6 | 0 | 0 | 0 | 111.4 | W16 T47 K54 | W16-L49 WeakPolarHBondContact CZ3-O 3.16Å; T47-L49 PolarHBondContact O-N 3.23Å; L49-K54 CarbonylContact C-O 3.51Å; L49-K54 WeakPolarHBondContact CA-O 3.4Å |
| 50 | D | 83.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | trans | -81.1 | -175.7 | 172.2 | 66.7 | 16.1 | 0 | 0 | 0 | 111.9 | W16 L24 E52 G53 K54 | W16-D50 HydrophobicContact CD2-CB 4.41Å; W16-D50 HydrophobicContact CE3-CB 4.21Å; W16-D50 HydrophobicContact CH2-CB 3.52Å; W16-D50 HydrophobicContact CZ2-CB 3.72Å; W16-D50 HydrophobicContact CZ3-CB 3.77Å; L24-D50 HydrophobicContact CD1-CB 4.11Å; D50-E52 PolarHBondContact O-N 2.9Å; D50-E52 VanDerWaalsContact OD1-CA 3.3Å; D50-E52 WeakPolarHBondContact OD1-CA 3.48Å; D50-E52 WeakPolarHBondContact OD1-CB 3.35Å; D50-E52 PolarHBondContact OD1-N 3.25Å; D50-G53 PolarHBondContact O-N 3.18Å; D50-G53 PolarHBondContact OD1-N 3.41Å; D50-K54 WeakPolarHBondContact CB-O 3.22Å; D50-K54 PolarHBondContact N-O 2.91Å; D50-K54 PolarHBondContact OD1-N 3.41Å | ||
| 51 | A | 79.1 | Confident | 85.4 | Confident | 98 Ų | 98 | 45.2 Ų | 45.2 | 81% | 0.81 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G53 | A51-G53 VanDerWaalsContact C-N 3.26Š|
| 52 | E | 77 | Confident | 85.8 | Confident | 144 Ų | 144 | 38 Ų | 38 | 67% | 0.673 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -0.5 | 174.1 | -62.5 | 72.1 | -160.5 | 0 | 0 | 112.6 | D50 | D50-E52 PolarHBondContact O-N 2.9Å; D50-E52 VanDerWaalsContact OD1-CA 3.3Å; D50-E52 WeakPolarHBondContact OD1-CA 3.48Å; D50-E52 WeakPolarHBondContact OD1-CB 3.35Å; D50-E52 PolarHBondContact OD1-N 3.25Å |
| 53 | G | 81.4 | Confident | 86.1 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 77.9 | 16.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D50 A51 D83 G84 | D50-G53 PolarHBondContact O-N 3.18Å; D50-G53 PolarHBondContact OD1-N 3.41Å; A51-G53 VanDerWaalsContact C-N 3.26Å; G53-D83 CarbonylContact O-C 3.51Å; G53-D83 VanDerWaalsContact O-CA 3.28Å; G53-D83 WeakPolarHBondContact O-CA 3.43Å; G53-D83 VanDerWaalsContact O-CB 3.28Å; G53-D83 WeakPolarHBondContact O-CB 3.29Å; G53-G84 PolarHBondContact O-N 3.44Å |
| 54 | K | 83.4 | Confident | 86.5 | Confident | 84 Ų | 84 | 37.9 Ų | 37.9 | 37% | 0.365 | 21% | 0.211 | S | C | . | . | trans | -107.7 | 149.7 | 179.5 | -64.8 | 174.6 | -174.3 | 166.9 | 0 | 110.9 | L49 D50 L59 | L49-K54 CarbonylContact C-O 3.51Å; L49-K54 WeakPolarHBondContact CA-O 3.4Å; D50-K54 WeakPolarHBondContact CB-O 3.22Å; D50-K54 PolarHBondContact N-O 2.91Å; D50-K54 PolarHBondContact OD1-N 3.41Å; K54-L59 HydrophobicContact CD-CD2 4.21Å | ||
| 55 | S | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -108.1 | 167.2 | 173.8 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | P46 T47 K48 F57 H58 L59 | P46-S55 WeakPolarHBondContact O-CB 3.43Å; T47-S55 WeakPolarHBondContact O-CB 3.39Å; K48-S55 VanDerWaalsContact O-CA 3.26Å; K48-S55 WeakPolarHBondContact O-CA 3.21Å; K48-S55 WeakPolarHBondContact O-CB 3.37Å; S55-F57 PolarHBondContact O-N 3.13Å; S55-F57 PolarHBondContact OG-N 2.96Å; S55-H58 PolarHBondContact N-ND1 2.94Å; S55-H58 PolarHBondContact O-N 3.4Å; S55-H58 VanDerWaalsContact O-N 3.09Å; S55-H58 PolarHBondContact OG-N 2.68Å; S55-H58 PolarHBondContact OG-ND1 3.33Å; S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 2.89Å |
| 56 | A | 88.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.6 | -37.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L23 L24 V27 P46 L59 C60 | L23-A56 HydrophobicContact CD2-CB 3.92Å; L23-A56 HydrophobicContact CG-CB 3.89Å; L24-A56 HydrophobicContact CD2-CB 3.86Å; V27-A56 HydrophobicContact CG2-CB 4.17Å; P46-A56 PolarHBondContact O-N 2.99Å; A56-L59 PolarHBondContact O-N 2.81Å; A56-C60 PolarHBondContact O-N 3.39Å; A56-C60 PolarHBondContact O-SG 3.43Å |
| 57 | F | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 173.6 | -177.2 | -114.5 | 0 | 0 | 0 | 112.7 | P46 S55 L59 C60 A61 L69 I72 I73 V79 A89 L105 | P46-F57 PolarHBondContact O-N 2.97Å; P46-F57 VanDerWaalsContact O-N 3.07Å; S55-F57 PolarHBondContact O-N 3.13Å; S55-F57 PolarHBondContact OG-N 2.96Å; F57-L59 VanDerWaalsContact C-N 3.33Å; F57-L59 PolarHBondContact O-N 3.49Å; F57-C60 WeakPolarHBondContact O-CB 3.17Å; F57-C60 PolarHBondContact O-N 3.44Å; F57-A61 PolarHBondContact O-N 3.25Å; F57-L69 HydrophobicContact CD2-CD1 3.76Å; F57-L69 HydrophobicContact CE2-CD1 3.46Å; F57-L69 VanDerWaalsContact CE2-CD1 3.46Å; F57-L69 HydrophobicContact CE2-CG 4.46Å; F57-L69 HydrophobicContact CZ-CD1 4.29Å; F57-I72 HydrophobicContact CB-CG2 4.24Å; F57-I72 HydrophobicContact CD2-CB 4.44Å; F57-I72 HydrophobicContact CD2-CG2 3.58Å; F57-I72 HydrophobicContact CE2-CG2 4.4Å; F57-I72 HydrophobicContact CG-CG2 4.3Å; F57-I73 HydrophobicContact CE2-CD1 4.38Å; F57-I73 HydrophobicContact CE2-CG1 3.94Å; F57-V79 HydrophobicContact CE1-CG1 4.26Å; F57-V79 HydrophobicContact CZ-CB 4.28Å; F57-V79 HydrophobicContact CZ-CG1 3.66Å; F57-A89 HydrophobicContact CD1-CB 3.91Å; F57-A89 HydrophobicContact CE1-CB 3.31Å; F57-A89 HydrophobicContact CZ-CB 3.8Å; F57-L105 HydrophobicContact CE2-CD2 4.13Å; F57-L105 HydrophobicContact CZ-CD2 3.59Å |
| 58 | H | 90.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 175.2 | -67.3 | 124.3 | 0 | 0 | 0 | 112.5 | S55 A61 S62 V81 T82 D83 L92 | S55-H58 PolarHBondContact N-ND1 2.94Å; S55-H58 PolarHBondContact O-N 3.4Å; S55-H58 VanDerWaalsContact O-N 3.09Å; S55-H58 PolarHBondContact OG-N 2.68Å; S55-H58 PolarHBondContact OG-ND1 3.33Å; H58-A61 PolarHBondContact O-N 3.47Å; H58-S62 WeakPolarHBondContact O-CB 3.39Å; H58-S62 PolarHBondContact O-N 3.37Å; H58-V81 PolarHBondContact NE2-O 2.65Å; H58-V81 VanDerWaalsContact NE2-O 3.09Å; H58-T82 PolarHBondContact CE1-O 3.43Å; H58-D83 PolarHBondContact CE1-N 2.81Å; H58-D83 PolarHBondContact NE2-N 2.93Å; H58-L92 HydrophobicContact CB-CD1 3.59Å |
| 59 | L | 90.1 | Very high | 88.1 | Confident | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 176.4 | -72.1 | -172.8 | 0 | 0 | 0 | 112.4 | L24 V27 K54 S55 A56 F57 A61 S62 R63 | L24-L59 HydrophobicContact CB-CD1 3.93Å; L24-L59 HydrophobicContact CD1-CD1 4.28Å; L24-L59 HydrophobicContact CD2-CD1 3.54Å; L24-L59 HydrophobicContact CD2-CG 4.35Å; L24-L59 HydrophobicContact CG-CD1 4.11Å; V27-L59 HydrophobicContact CG1-CB 3.97Å; K54-L59 HydrophobicContact CD-CD2 4.21Å; S55-L59 WeakPolarHBondContact O-CG 3.49Å; S55-L59 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 2.81Å; F57-L59 VanDerWaalsContact C-N 3.33Å; F57-L59 PolarHBondContact O-N 3.49Å; L59-A61 PolarHBondContact O-N 2.92Å; L59-S62 PolarHBondContact O-N 2.99Å; L59-R63 WeakPolarHBondContact O-CB 3.29Å; L59-R63 PolarHBondContact O-N 3.43Å |
| 60 | C | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 175.6 | -68.4 | 0 | 0 | 0 | 0 | 111 | V27 A56 F57 S62 R63 G64 R65 L69 I72 | V27-C60 HydrophobicContact CG1-CB 4.32Å; V27-C60 WeakPolarHBondContact CG1-SG 3.45Å; A56-C60 PolarHBondContact O-N 3.39Å; A56-C60 PolarHBondContact O-SG 3.43Å; F57-C60 WeakPolarHBondContact O-CB 3.17Å; F57-C60 PolarHBondContact O-N 3.44Å; C60-S62 PolarHBondContact O-N 3.4Å; C60-R63 PolarHBondContact O-N 3.34Å; C60-G64 PolarHBondContact O-N 3.31Å; C60-R65 HydrophobicContact CB-CB 4.44Å; C60-R65 PolarHBondContact O-N 2.85Å; C60-L69 HydrophobicContact CB-CB 4.03Å; C60-L69 HydrophobicContact CB-CD1 3.73Å; C60-I72 WeakPolarHBondContact SG-CD1 3.3Å |
| 61 | A | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F57 H58 L59 A89 A93 L105 | F57-A61 PolarHBondContact O-N 3.25Å; H58-A61 PolarHBondContact O-N 3.47Å; L59-A61 PolarHBondContact O-N 2.92Å; A61-A89 HydrophobicContact CB-CB 3.83Å; A61-A89 WeakPolarHBondContact CB-O 3.39Å; A61-A93 HydrophobicContact CB-CB 4.34Å; A61-A93 WeakPolarHBondContact O-CA 3.28Å; A61-L105 HydrophobicContact CB-CD1 4.22Å |
| 62 | S | 89.5 | Confident | 89.1 | Confident | 23 Ų | 23 | 36 Ų | 36 | 16% | 0.161 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -37.1 | 179.7 | -171.6 | 0 | 0 | 0 | 0 | 113 | H58 L59 C60 N96 | H58-S62 WeakPolarHBondContact O-CB 3.39Å; H58-S62 PolarHBondContact O-N 3.37Å; L59-S62 PolarHBondContact O-N 2.99Å; C60-S62 PolarHBondContact O-N 3.4Å; S62-N96 WeakPolarHBondContact CA-ND2 3.48Å; S62-N96 WeakPolarHBondContact O-CB 3.2Å; S62-N96 PolarHBondContact O-ND2 3.41Å; S62-N96 PolarHBondContact OG-ND2 3.01Å |
| 63 | R | 88.3 | Confident | 89.6 | Confident | 131 Ų | 131 | 29.7 Ų | 29.7 | 49% | 0.494 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -97.8 | -2.5 | -177.1 | -66 | -65.9 | -169.8 | 108.3 | 16.6 | 114.3 | E28 L59 C60 R65 | E28-R63 IonicContact OE1-CZ 2.79Å; E28-R63 IonicContact OE1-NH1 2.81Å; E28-R63 IonicContact OE1-NH2 2.72Å; E28-R63 PolarHBondContact OE1-NH2 3.1Å; L59-R63 WeakPolarHBondContact O-CB 3.29Å; L59-R63 PolarHBondContact O-N 3.43Å; C60-R63 PolarHBondContact O-N 3.34Å; R63-R65 HydrophobicContact CB-CG 3.99Å |
| 64 | G | 88.4 | Confident | 89.9 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 27.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C60 L66 C101 | C60-G64 PolarHBondContact O-N 3.31Å; G64-L66 PolarHBondContact O-N 3.45Å; G64-L66 VanDerWaalsContact O-N 3.07Å; G64-C101 VanDerWaalsContact CA-SG 3.57Å |
| 65 | R | 92.6 | Very high | 90 | Very high | 77 Ų | 77 | 33.3 Ų | 33.3 | 29% | 0.291 | 17% | 0.172 | S | C | . | . | trans | -84.7 | 78.3 | -177.5 | -55.1 | -49.9 | -160 | -173.7 | 1.7 | 110.4 | E28 N30 C60 R63 D67 C68 L69 | E28-R65 PolarHBondContact O-NH2 3.25Å; N30-R65 WeakPolarHBondContact OD1-CB 3.28Å; C60-R65 HydrophobicContact CB-CB 4.44Å; C60-R65 PolarHBondContact O-N 2.85Å; R63-R65 HydrophobicContact CB-CG 3.99Å; R65-D67 PolarHBondContact O-N 2.89Å; R65-C68 HydrophobicContact CB-CB 4.1Å; R65-C68 PolarHBondContact O-N 3.35Å; R65-L69 WeakPolarHBondContact O-CB 3.35Å; R65-L69 PolarHBondContact O-N 2.95Å | ||
| 66 | L | 92.3 | Very high | 89.5 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | -175 | -178.8 | 65.9 | 0 | 0 | 0 | 112.3 | G64 C68 L69 E70 E100 R104 | G64-L66 PolarHBondContact O-N 3.45Å; G64-L66 VanDerWaalsContact O-N 3.07Å; L66-C68 VanDerWaalsContact C-N 3.33Å; L66-C68 PolarHBondContact O-N 3.25Å; L66-L69 WeakPolarHBondContact O-CA 3.49Å; L66-L69 VanDerWaalsContact O-CB 3.3Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.8Å; L66-E70 HydrophobicContact CD1-CG 4.32Å; L66-E70 HydrophobicContact CG-CG 4.48Å; L66-E70 WeakPolarHBondContact O-CG 3.36Å; L66-E70 PolarHBondContact O-N 3.34Å; L66-E100 HydrophobicContact CD2-CB 4.21Å; L66-R104 HydrophobicContact CD1-CB 3.82Å; L66-R104 HydrophobicContact CD1-CG 4.11Å |
| 67 | D | 92.1 | Very high | 89.2 | Confident | 77 Ų | 77 | 37 Ų | 37 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.3 | -42.9 | -176.3 | -49 | -43.4 | 0 | 0 | 0 | 111.7 | P32 R65 L69 E70 V71 | P32-D67 HydrophobicContact CB-CB 4.12Å; P32-D67 HydrophobicContact CG-CB 4.03Å; R65-D67 PolarHBondContact O-N 2.89Å; D67-L69 VanDerWaalsContact C-N 3.34Å; D67-E70 PolarHBondContact O-N 3.03Å; D67-V71 WeakPolarHBondContact O-CG2 3.46Å; D67-V71 PolarHBondContact O-N 2.89Å; D67-V71 VanDerWaalsContact O-N 3.15Å |
| 68 | C | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 176.5 | -65 | 0 | 0 | 0 | 0 | 111.6 | N30 R65 L66 I72 | N30-C68 PolarHBondContact OD1-SG 3.5Å; R65-C68 HydrophobicContact CB-CB 4.1Å; R65-C68 PolarHBondContact O-N 3.35Å; L66-C68 VanDerWaalsContact C-N 3.33Å; L66-C68 PolarHBondContact O-N 3.25Å; C68-I72 WeakPolarHBondContact O-CD1 3.26Å; C68-I72 VanDerWaalsContact O-CG1 3.24Å; C68-I72 WeakPolarHBondContact O-CG1 3.48Å; C68-I72 PolarHBondContact O-N 2.83Å |
| 69 | L | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.8 | -169.5 | 72.8 | 0 | 0 | 0 | 111.3 | F57 C60 R65 L66 D67 I72 I73 C101 L105 | F57-L69 HydrophobicContact CD2-CD1 3.76Å; F57-L69 HydrophobicContact CE2-CD1 3.46Å; F57-L69 VanDerWaalsContact CE2-CD1 3.46Å; F57-L69 HydrophobicContact CE2-CG 4.46Å; F57-L69 HydrophobicContact CZ-CD1 4.29Å; C60-L69 HydrophobicContact CB-CB 4.03Å; C60-L69 HydrophobicContact CB-CD1 3.73Å; R65-L69 WeakPolarHBondContact O-CB 3.35Å; R65-L69 PolarHBondContact O-N 2.95Å; L66-L69 WeakPolarHBondContact O-CA 3.49Å; L66-L69 VanDerWaalsContact O-CB 3.3Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.8Å; D67-L69 VanDerWaalsContact C-N 3.34Å; L69-I72 PolarHBondContact O-N 3.41Å; L69-I73 HydrophobicContact CG-CD1 3.96Å; L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 2.89Å; L69-C101 HydrophobicContact CD2-CB 3.81Å; L69-L105 HydrophobicContact CD1-CD2 4.35Å; L69-L105 HydrophobicContact CD2-CD1 4.34Å; L69-L105 HydrophobicContact CD2-CD2 4.28Å; L69-L105 HydrophobicContact CD2-CG 4.01Å |
| 70 | E | 90.9 | Very high | 87.7 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 178.1 | -72.7 | -170.6 | 162.3 | 0 | 0 | 112.2 | L66 D67 I72 I73 S74 R104 | L66-E70 HydrophobicContact CD1-CG 4.32Å; L66-E70 HydrophobicContact CG-CG 4.48Å; L66-E70 WeakPolarHBondContact O-CG 3.36Å; L66-E70 PolarHBondContact O-N 3.34Å; D67-E70 PolarHBondContact O-N 3.03Å; E70-I72 PolarHBondContact O-N 3.49Å; E70-I73 PolarHBondContact O-N 2.98Å; E70-S74 VanDerWaalsContact O-CB 3.31Å; E70-S74 WeakPolarHBondContact O-CB 3.5Å; E70-S74 PolarHBondContact O-N 3.17Å; E70-S74 PolarHBondContact O-OG 3.47Å; E70-R104 HydrophobicContact CG-CG 4.09Å; E70-R104 IonicContact OE1-NE 2.72Å |
| 71 | V | 89.9 | Confident | 87.3 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.3 | -50 | 173.8 | 166 | 0 | 0 | 0 | 0 | 110.5 | P32 V35 T36 D67 I73 S74 H75 | P32-V71 HydrophobicContact CB-CG2 3.94Å; V35-V71 HydrophobicContact CG1-CG1 4.12Å; T36-V71 WeakPolarHBondContact OG1-CG1 3.46Å; D67-V71 WeakPolarHBondContact O-CG2 3.46Å; D67-V71 PolarHBondContact O-N 2.89Å; D67-V71 VanDerWaalsContact O-N 3.15Å; V71-I73 PolarHBondContact O-N 3.39Å; V71-S74 PolarHBondContact O-N 3.49Å; V71-S74 PolarHBondContact O-OG 3.41Å; V71-H75 PolarHBondContact O-CD2 3.41Å; V71-H75 PolarHBondContact O-N 2.94Å; V71-H75 VanDerWaalsContact O-N 3.15Å |
| 72 | I | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | -178.3 | -71.9 | 168.8 | 0 | 0 | 0 | 111.4 | V27 V35 I39 P46 F57 C60 C68 L69 E70 H75 A77 | V27-I72 HydrophobicContact CG2-CD1 4.38Å; V35-I72 HydrophobicContact CG1-CD1 4.24Å; V35-I72 HydrophobicContact CG1-CG1 3.93Å; I39-I72 HydrophobicContact CD1-CG1 3.86Å; P46-I72 HydrophobicContact CB-CB 4.48Å; P46-I72 HydrophobicContact CB-CD1 4.19Å; P46-I72 HydrophobicContact CB-CG1 4.02Å; P46-I72 HydrophobicContact CB-CG2 3.69Å; P46-I72 HydrophobicContact CG-CG2 3.69Å; F57-I72 HydrophobicContact CB-CG2 4.24Å; F57-I72 HydrophobicContact CD2-CB 4.44Å; F57-I72 HydrophobicContact CD2-CG2 3.58Å; F57-I72 HydrophobicContact CE2-CG2 4.4Å; F57-I72 HydrophobicContact CG-CG2 4.3Å; C60-I72 WeakPolarHBondContact SG-CD1 3.3Å; C68-I72 WeakPolarHBondContact O-CD1 3.26Å; C68-I72 VanDerWaalsContact O-CG1 3.24Å; C68-I72 WeakPolarHBondContact O-CG1 3.48Å; C68-I72 PolarHBondContact O-N 2.83Å; L69-I72 PolarHBondContact O-N 3.41Å; E70-I72 PolarHBondContact O-N 3.49Å; I72-H75 PolarHBondContact O-N 3.2Å; I72-A77 HydrophobicContact CG2-CB 3.39Å; I72-A77 VanDerWaalsContact O-CB 3.27Å; I72-A77 WeakPolarHBondContact O-CB 3.41Å; I72-A77 PolarHBondContact O-N 3.4Å |
| 73 | I | 89.3 | Confident | 87.1 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 177.1 | -68.3 | 168.3 | 0 | 0 | 0 | 110.7 | F57 L69 E70 V71 H75 G76 L105 E108 | F57-I73 HydrophobicContact CE2-CD1 4.38Å; F57-I73 HydrophobicContact CE2-CG1 3.94Å; L69-I73 HydrophobicContact CG-CD1 3.96Å; L69-I73 VanDerWaalsContact O-CG1 3.29Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 2.89Å; E70-I73 PolarHBondContact O-N 2.98Å; V71-I73 PolarHBondContact O-N 3.39Å; I73-H75 PolarHBondContact O-N 3.49Å; I73-H75 VanDerWaalsContact O-N 3.15Å; I73-G76 PolarHBondContact O-N 2.92Å; I73-L105 HydrophobicContact CD1-CD2 4.11Å; I73-E108 HydrophobicContact CD1-CG 4.34Å; I73-E108 HydrophobicContact CG2-CG 3.84Å; I73-E108 WeakPolarHBondContact CG2-OE1 3.49Å |
| 74 | S | 87.8 | Confident | 86.7 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 62% | 0.622 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.3 | -25.6 | 179.7 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | E70 V71 G76 | E70-S74 VanDerWaalsContact O-CB 3.31Å; E70-S74 WeakPolarHBondContact O-CB 3.5Å; E70-S74 PolarHBondContact O-N 3.17Å; E70-S74 PolarHBondContact O-OG 3.47Å; V71-S74 PolarHBondContact O-N 3.49Å; V71-S74 PolarHBondContact O-OG 3.41Å; S74-G76 VanDerWaalsContact C-N 3.29Å; S74-G76 PolarHBondContact O-N 3.01Å |
| 75 | H | 84.1 | Confident | 86.4 | Confident | 82 Ų | 82 | 46 Ų | 46 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 11.7 | 175.8 | -75.3 | -58.5 | 0 | 0 | 0 | 114.1 | I39 V40 V71 I72 I73 | I39-H75 HydrophobicContact CG2-CB 4.08Å; V40-H75 WeakPolarHBondContact CG2-CE1 3.37Å; V71-H75 PolarHBondContact O-CD2 3.41Å; V71-H75 PolarHBondContact O-N 2.94Å; V71-H75 VanDerWaalsContact O-N 3.15Å; I72-H75 PolarHBondContact O-N 3.2Å; I73-H75 PolarHBondContact O-N 3.49Å; I73-H75 VanDerWaalsContact O-N 3.15Å |
| 76 | G | 78.7 | Confident | 86 | Confident | 67 Ų | 67 | 43 Ų | 43 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 29.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I73 S74 | I73-G76 PolarHBondContact O-N 2.92Å; S74-G76 VanDerWaalsContact C-N 3.29Å; S74-G76 PolarHBondContact O-N 3.01Å |
| 77 | A | 82.6 | Confident | 85.9 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | trans | -60.8 | 138.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P46 T47 I72 V79 | P46-A77 HydrophobicContact CG-CB 3.89Å; T47-A77 HydrophobicContact CG2-CB 4.06Å; I72-A77 HydrophobicContact CG2-CB 3.39Å; I72-A77 VanDerWaalsContact O-CB 3.27Å; I72-A77 WeakPolarHBondContact O-CB 3.41Å; I72-A77 PolarHBondContact O-N 3.4Å; A77-V79 WeakPolarHBondContact O-CG2 3.35Å; A77-V79 PolarHBondContact O-N 3.21Å; A77-V79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | D | 80.2 | Confident | 85.8 | Confident | 101 Ų | 101 | 39.1 Ų | 39.1 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | trans | -69.7 | 111.1 | 173.4 | -174.5 | 1.1 | 0 | 0 | 0 | 109.7 | T47 G80 V81 | T47-D78 HydrophobicContact CG2-CB 4.46Å; T47-D78 WeakPolarHBondContact CG2-O 3.47Å; D78-G80 VanDerWaalsContact C-N 3.28Å; D78-G80 PolarHBondContact OD1-N 2.9Å; D78-G80 VanDerWaalsContact OD1-N 3.08Å; D78-V81 HydrophobicContact CB-CG2 3.72Å; D78-V81 WeakPolarHBondContact O-CG2 3.37Å | ||
| 79 | V | 81.4 | Confident | 85.8 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 13% | 0.127 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -18.1 | -174.3 | -162.4 | 0 | 0 | 0 | 0 | 111.2 | F57 A77 V81 L105 L110 | F57-V79 HydrophobicContact CE1-CG1 4.26Å; F57-V79 HydrophobicContact CZ-CB 4.28Å; F57-V79 HydrophobicContact CZ-CG1 3.66Å; A77-V79 WeakPolarHBondContact O-CG2 3.35Å; A77-V79 PolarHBondContact O-N 3.21Å; A77-V79 VanDerWaalsContact O-N 3.14Å; V79-V81 VanDerWaalsContact C-N 3.34Å; V79-L105 HydrophobicContact CG1-CD2 3.82Å; V79-L110 HydrophobicContact CB-CD2 3.92Å; V79-L110 HydrophobicContact CG1-CD1 3.57Å; V79-L110 HydrophobicContact CG1-CD2 3.69Å; V79-L110 HydrophobicContact CG1-CG 3.85Å |
| 80 | G | 79.4 | Confident | 85.7 | Confident | 50 Ų | 50 | 39.2 Ų | 39.2 | 52% | 0.515 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D78 | D78-G80 VanDerWaalsContact C-N 3.28Å; D78-G80 PolarHBondContact OD1-N 2.9Å; D78-G80 VanDerWaalsContact OD1-N 3.08Å |
| 81 | V | 84.3 | Confident | 85.7 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | trans | -68.5 | 140.5 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | T47 H58 D78 V79 | T47-V81 HydrophobicContact CG2-CG2 4.13Å; H58-V81 PolarHBondContact NE2-O 2.65Å; H58-V81 VanDerWaalsContact NE2-O 3.09Å; D78-V81 HydrophobicContact CB-CG2 3.72Å; D78-V81 WeakPolarHBondContact O-CG2 3.37Å; V79-V81 VanDerWaalsContact C-N 3.34Å | ||
| 82 | T | 87.9 | Confident | 85.7 | Confident | 66 Ų | 66 | 34.7 Ų | 34.7 | 41% | 0.405 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -104.1 | 151.3 | 174.1 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | H58 F87 | H58-T82 PolarHBondContact CE1-O 3.43Å; T82-F87 CarbonylContact C-O 3.53Å; T82-F87 WeakPolarHBondContact CA-O 3.32Å |
| 83 | D | 86.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | trans | -73.4 | 174.3 | 172.5 | 81.8 | -0.5 | 0 | 0 | 0 | 110.8 | G53 H58 A85 G86 F87 | G53-D83 CarbonylContact O-C 3.51Å; G53-D83 VanDerWaalsContact O-CA 3.28Å; G53-D83 WeakPolarHBondContact O-CA 3.43Å; G53-D83 VanDerWaalsContact O-CB 3.28Å; G53-D83 WeakPolarHBondContact O-CB 3.29Å; H58-D83 PolarHBondContact CE1-N 2.81Å; H58-D83 PolarHBondContact NE2-N 2.93Å; D83-A85 PolarHBondContact O-N 3.19Å; D83-A85 VanDerWaalsContact O-N 3.09Å; D83-A85 WeakPolarHBondContact OD1-CA 3.46Å; D83-A85 WeakPolarHBondContact OD1-CB 3.49Å; D83-A85 PolarHBondContact OD1-N 3.01Å; D83-G86 PolarHBondContact O-N 3.27Å; D83-G86 PolarHBondContact OD1-N 2.65Å; D83-F87 PolarHBondContact N-O 3.1Å; D83-F87 WeakPolarHBondContact OD1-CB 3.44Å; D83-F87 PolarHBondContact OD1-N 2.84Å | ||
| 84 | G | 81.7 | Confident | 85.7 | Confident | 62 Ų | 62 | 34 Ų | 34 | 64% | 0.639 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G53 | G53-G84 PolarHBondContact O-N 3.44Š|
| 85 | A | 81.4 | Confident | 85.7 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 42% | 0.421 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D83 F87 S117 | D83-A85 PolarHBondContact O-N 3.19Å; D83-A85 VanDerWaalsContact O-N 3.09Å; D83-A85 WeakPolarHBondContact OD1-CA 3.46Å; D83-A85 WeakPolarHBondContact OD1-CB 3.49Å; D83-A85 PolarHBondContact OD1-N 3.01Å; A85-F87 HydrophobicContact CB-CD2 3.7Å; A85-F87 HydrophobicContact CB-CE2 3.77Å; A85-S117 PolarHBondContact O-OG 3.06Å |
| 86 | G | 85 | Confident | 85.8 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 88.2 | 9.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D83 D116 | D83-G86 PolarHBondContact O-N 3.27Å; D83-G86 PolarHBondContact OD1-N 2.65Å; G86-D116 WeakPolarHBondContact O-CA 3.36Å |
| 87 | F | 88.7 | Confident | 86.2 | Confident | 28 Ų | 28 | 28.5 Ų | 28.5 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | trans | -82.2 | 126.7 | 175.3 | -64.1 | -68.7 | 0 | 0 | 0 | 111 | T82 D83 A85 H91 L92 D116 H125 | T82-F87 CarbonylContact C-O 3.53Å; T82-F87 WeakPolarHBondContact CA-O 3.32Å; D83-F87 PolarHBondContact N-O 3.1Å; D83-F87 WeakPolarHBondContact OD1-CB 3.44Å; D83-F87 PolarHBondContact OD1-N 2.84Å; A85-F87 HydrophobicContact CB-CD2 3.7Å; A85-F87 HydrophobicContact CB-CE2 3.77Å; F87-H91 HydrophobicContact CB-CB 4.06Å; F87-H91 HydrophobicContact CD1-CB 3.75Å; F87-H91 HydrophobicContact CG-CB 4.37Å; F87-L92 HydrophobicContact CB-CD2 3.98Å; F87-L92 HydrophobicContact CB-CG 4.08Å; F87-L92 HydrophobicContact CD2-CD2 4.5Å; F87-L92 HydrophobicContact CG-CD2 4.3Å; F87-D116 HydrophobicContact CD1-CB 4.09Å; F87-D116 HydrophobicContact CE1-CB 4.24Å; F87-D116 VanDerWaalsContact CE1-OD2 3.26Å; F87-D116 WeakPolarHBondContact CE1-OD2 3.24Å; F87-H125 AromaticContact CE1-CE1 3.5Å; F87-H125 VanDerWaalsContact CE1-CE1 3.5Å; F87-H125 WeakPolarHBondContact CE1-CE1 3.49Å; F87-H125 AromaticContact CE1-NE2 3.52Å | ||
| 88 | S | 90.4 | Very high | 86.5 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 163.1 | 164.2 | 74.6 | 0 | 0 | 0 | 0 | 111.3 | L90 H91 L92 C114 | S88-L90 PolarHBondContact O-N 3.47Å; S88-L90 VanDerWaalsContact O-N 3.13Å; S88-L90 PolarHBondContact OG-N 3.5Å; S88-H91 PolarHBondContact N-ND1 2.76Å; S88-H91 WeakPolarHBondContact O-CB 3.49Å; S88-H91 PolarHBondContact O-N 2.94Å; S88-H91 PolarHBondContact OG-N 3.4Å; S88-H91 PolarHBondContact OG-ND1 3Å; S88-L92 PolarHBondContact O-N 2.98Å; S88-C114 PolarHBondContact OG-SG 2.87Å; S88-C114 VanDerWaalsContact OG-SG 3.41Å |
| 89 | A | 89.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.5 | -32.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F57 A61 L92 A93 L105 | F57-A89 HydrophobicContact CD1-CB 3.91Å; F57-A89 HydrophobicContact CE1-CB 3.31Å; F57-A89 HydrophobicContact CZ-CB 3.8Å; A61-A89 HydrophobicContact CB-CB 3.83Å; A61-A89 WeakPolarHBondContact CB-O 3.39Å; A89-L92 PolarHBondContact O-N 3.13Å; A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 3.36Å; A89-L105 HydrophobicContact CB-CD1 4.04Å; A89-L105 HydrophobicContact CB-CD2 4.38Å |
| 90 | L | 91.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 177.5 | -164.5 | 69.1 | 0 | 0 | 0 | 112 | S88 A93 A94 L102 L105 L106 P122 | S88-L90 PolarHBondContact O-N 3.47Å; S88-L90 VanDerWaalsContact O-N 3.13Å; S88-L90 PolarHBondContact OG-N 3.5Å; L90-A93 PolarHBondContact O-N 2.89Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.17Å; L90-L102 HydrophobicContact CD1-CD1 3.5Å; L90-L102 HydrophobicContact CD1-CG 4.07Å; L90-L102 HydrophobicContact CG-CD1 4.05Å; L90-L102 WeakPolarHBondContact O-CD1 3.44Å; L90-L105 HydrophobicContact CD1-CB 3.98Å; L90-L106 HydrophobicContact CD1-CD1 4.48Å; L90-L106 HydrophobicContact CD1-CD2 3.72Å; L90-L106 HydrophobicContact CD1-CG 3.74Å; L90-L106 HydrophobicContact CD2-CD2 3.81Å; L90-L106 HydrophobicContact CG-CD2 4.42Å; L90-P122 HydrophobicContact CB-CG 4.25Å; L90-P122 HydrophobicContact CD2-CB 4.46Å; L90-P122 HydrophobicContact CD2-CG 3.65Å; L90-P122 HydrophobicContact CG-CB 4.2Å; L90-P122 HydrophobicContact CG-CG 3.77Å |
| 91 | H | 90.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 173.9 | -66.3 | 98.6 | 0 | 0 | 0 | 112.2 | F87 S88 A94 K95 C114 R120 H125 | F87-H91 HydrophobicContact CB-CB 4.06Å; F87-H91 HydrophobicContact CD1-CB 3.75Å; F87-H91 HydrophobicContact CG-CB 4.37Å; S88-H91 PolarHBondContact N-ND1 2.76Å; S88-H91 WeakPolarHBondContact O-CB 3.49Å; S88-H91 PolarHBondContact O-N 2.94Å; S88-H91 PolarHBondContact OG-N 3.4Å; S88-H91 PolarHBondContact OG-ND1 3Å; H91-A94 PolarHBondContact O-N 3.33Å; H91-K95 WeakPolarHBondContact O-CB 3.4Å; H91-K95 PolarHBondContact O-N 2.93Å; H91-C114 PolarHBondContact CE1-O 2.94Å; H91-C114 PolarHBondContact CE1-SG 2.94Å; H91-C114 PolarHBondContact NE2-O 3.33Å; H91-R120 PolarHBondContact NE2-O 2.86Å; H91-H125 AromaticContact CD2-CD2 3.9Å |
| 92 | L | 89.6 | Confident | 88 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | -179.1 | -64.4 | 175.7 | 0 | 0 | 0 | 112 | H58 F87 S88 A89 N96 | H58-L92 HydrophobicContact CB-CD1 3.59Å; F87-L92 HydrophobicContact CB-CD2 3.98Å; F87-L92 HydrophobicContact CB-CG 4.08Å; F87-L92 HydrophobicContact CD2-CD2 4.5Å; F87-L92 HydrophobicContact CG-CD2 4.3Å; S88-L92 PolarHBondContact O-N 2.98Å; A89-L92 PolarHBondContact O-N 3.13Å; L92-N96 PolarHBondContact O-N 3.5Å |
| 93 | A | 90.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A61 A89 L90 N97 Q98 C101 L102 L105 | A61-A93 HydrophobicContact CB-CB 4.34Å; A61-A93 WeakPolarHBondContact O-CA 3.28Å; A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 3.36Å; L90-A93 PolarHBondContact O-N 2.89Å; A93-N97 PolarHBondContact O-N 2.82Å; A93-N97 VanDerWaalsContact O-N 3.11Å; A93-Q98 HydrophobicContact CB-CB 4.4Å; A93-Q98 PolarHBondContact O-N 2.96Å; A93-C101 HydrophobicContact CB-CB 4.47Å; A93-L102 HydrophobicContact CB-CB 4.09Å; A93-L102 HydrophobicContact CB-CD1 3.87Å; A93-L105 HydrophobicContact CB-CD1 4.27Å |
| 94 | A | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L90 H91 N96 N97 L102 P122 L141 | L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.17Å; H91-A94 PolarHBondContact O-N 3.33Å; A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 2.78Å; A94-N97 PolarHBondContact O-N 3.49Å; A94-N97 VanDerWaalsContact O-N 3.12Å; A94-L102 HydrophobicContact CB-CD1 3.92Å; A94-P122 HydrophobicContact CB-CB 3.87Å; A94-P122 WeakPolarHBondContact CB-O 3.31Å; A94-L141 HydrophobicContact CB-CD1 4.27Å |
| 95 | K | 87.4 | Confident | 88.7 | Confident | 62 Ų | 62 | 28.7 Ų | 28.7 | 27% | 0.27 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.5 | -36.4 | -179.2 | -176 | 175.8 | 179 | 175.1 | 0 | 113.7 | H91 H125 K129 | H91-K95 WeakPolarHBondContact O-CB 3.4Å; H91-K95 PolarHBondContact O-N 2.93Å; K95-H125 WeakPolarHBondContact CA-O 3.41Å; K95-H125 HydrophobicContact CB-CB 4.1Å; K95-K129 WeakPolarHBondContact O-CB 3.39Å |
| 96 | N | 86.3 | Confident | 89 | Confident | 32 Ų | 32 | 26.6 Ų | 26.6 | 17% | 0.171 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 11.5 | 179.7 | -65.3 | -34.1 | 0 | 0 | 0 | 113.1 | S62 L92 A94 Q98 | S62-N96 WeakPolarHBondContact CA-ND2 3.48Å; S62-N96 WeakPolarHBondContact O-CB 3.2Å; S62-N96 PolarHBondContact O-ND2 3.41Å; S62-N96 PolarHBondContact OG-ND2 3.01Å; L92-N96 PolarHBondContact O-N 3.5Å; A94-N96 VanDerWaalsContact C-N 3.3Å; A94-N96 PolarHBondContact O-N 2.78Å; N96-Q98 VanDerWaalsContact C-N 3.35Å; N96-Q98 HydrophobicContact CB-CG 4.06Å; N96-Q98 PolarHBondContact O-N 3.09Å; N96-Q98 PolarHBondContact O-NE2 2.96Å |
| 97 | N | 86.9 | Confident | 89 | Confident | 28 Ų | 28 | 31 Ų | 31 | 15% | 0.15 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 42.5 | 178.3 | -157 | 4.5 | 0 | 0 | 0 | 114.9 | A93 A94 H99 D127 C134 S137 | A93-N97 PolarHBondContact O-N 2.82Å; A93-N97 VanDerWaalsContact O-N 3.11Å; A94-N97 PolarHBondContact O-N 3.49Å; A94-N97 VanDerWaalsContact O-N 3.12Å; N97-H99 PolarHBondContact O-N 3.38Å; N97-D127 PolarHBondContact ND2-OD1 3.4Å; N97-C134 WeakPolarHBondContact ND2-CB 3.42Å; N97-C134 PolarHBondContact ND2-O 2.82Å; N97-S137 VanDerWaalsContact C-OG 3.32Å; N97-S137 VanDerWaalsContact CA-OG 3.24Å; N97-S137 WeakPolarHBondContact CA-OG 3.34Å; N97-S137 VanDerWaalsContact OD1-CB 3.24Å; N97-S137 WeakPolarHBondContact OD1-CB 3.47Å; N97-S137 PolarHBondContact OD1-N 2.87Å; N97-S137 PolarHBondContact OD1-OG 2.99Å |
| 98 | Q | 89.6 | Confident | 88.6 | Confident | 63 Ų | 63 | 33.4 Ų | 33.4 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | trans | -93.5 | 72.3 | -179.3 | -56.9 | -56.6 | -37.6 | 0 | 0 | 110.2 | A93 N96 E100 C101 L102 | A93-Q98 HydrophobicContact CB-CB 4.4Å; A93-Q98 PolarHBondContact O-N 2.96Å; N96-Q98 VanDerWaalsContact C-N 3.35Å; N96-Q98 HydrophobicContact CB-CG 4.06Å; N96-Q98 PolarHBondContact O-N 3.09Å; N96-Q98 PolarHBondContact O-NE2 2.96Å; Q98-E100 PolarHBondContact O-N 3.42Å; Q98-C101 HydrophobicContact CB-CB 4.16Å; Q98-C101 PolarHBondContact O-N 2.91Å; Q98-L102 WeakPolarHBondContact O-CB 3.47Å; Q98-L102 PolarHBondContact O-N 2.94Å | ||
| 99 | H | 87.9 | Confident | 87.5 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 33% | 0.329 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.3 | -37.4 | -169.6 | 68.3 | 82.4 | 0 | 0 | 0 | 114.1 | N97 L102 K103 | N97-H99 PolarHBondContact O-N 3.38Å; H99-L102 WeakPolarHBondContact O-CB 3.4Å; H99-L102 PolarHBondContact O-N 3.02Å; H99-K103 VanDerWaalsContact O-CB 3.31Å; H99-K103 WeakPolarHBondContact O-CB 3.45Å; H99-K103 PolarHBondContact O-N 3.4Å |
| 100 | E | 89.8 | Confident | 86.8 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 41% | 0.407 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.7 | -43.2 | 178 | -69.5 | -52.6 | 132.3 | 0 | 0 | 112.2 | L66 Q98 L102 K103 R104 | L66-E100 HydrophobicContact CD2-CB 4.21Å; Q98-E100 PolarHBondContact O-N 3.42Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 2.99Å; E100-K103 PolarHBondContact O-N 3.11Å; E100-R104 WeakPolarHBondContact O-CB 3.26Å; E100-R104 PolarHBondContact O-N 3.36Å |
| 101 | C | 89.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 174.3 | -72.8 | 0 | 0 | 0 | 0 | 111 | G64 L69 A93 Q98 R104 L105 | G64-C101 VanDerWaalsContact CA-SG 3.57Å; L69-C101 HydrophobicContact CD2-CB 3.81Å; A93-C101 HydrophobicContact CB-CB 4.47Å; Q98-C101 HydrophobicContact CB-CB 4.16Å; Q98-C101 PolarHBondContact O-N 2.91Å; C101-R104 PolarHBondContact O-N 3.35Å; C101-L105 WeakPolarHBondContact O-CB 3.4Å; C101-L105 VanDerWaalsContact O-CG 3.23Å; C101-L105 WeakPolarHBondContact O-CG 3.46Å; C101-L105 PolarHBondContact O-N 3.38Å |
| 102 | L | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 176.8 | -170.2 | 88.4 | 0 | 0 | 0 | 111.4 | L90 A93 A94 Q98 H99 E100 R104 L105 L106 S137 T140 L141 | L90-L102 HydrophobicContact CD1-CD1 3.5Å; L90-L102 HydrophobicContact CD1-CG 4.07Å; L90-L102 HydrophobicContact CG-CD1 4.05Å; L90-L102 WeakPolarHBondContact O-CD1 3.44Å; A93-L102 HydrophobicContact CB-CB 4.09Å; A93-L102 HydrophobicContact CB-CD1 3.87Å; A94-L102 HydrophobicContact CB-CD1 3.92Å; Q98-L102 WeakPolarHBondContact O-CB 3.47Å; Q98-L102 PolarHBondContact O-N 2.94Å; H99-L102 WeakPolarHBondContact O-CB 3.4Å; H99-L102 PolarHBondContact O-N 3.02Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 2.99Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 3.41Å; L102-L105 PolarHBondContact O-N 2.98Å; L102-L106 HydrophobicContact CD2-CD1 4.29Å; L102-L106 HydrophobicContact CG-CD1 4.08Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.19Å; L102-S137 WeakPolarHBondContact CD2-O 3.48Å; L102-T140 HydrophobicContact CD2-CG2 4.13Å; L102-L141 HydrophobicContact CD1-CD2 4.27Å; L102-L141 HydrophobicContact CD2-CD2 3.97Å; L102-L141 HydrophobicContact CD2-CG 3.82Å; L102-L141 HydrophobicContact CG-CD2 4.43Å |
| 103 | K | 90.8 | Very high | 85.6 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 39% | 0.391 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 177.3 | -174.2 | 177.4 | -179.2 | 179.7 | 0 | 111.7 | H99 E100 L106 Q107 T140 F144 | H99-K103 VanDerWaalsContact O-CB 3.31Å; H99-K103 WeakPolarHBondContact O-CB 3.45Å; H99-K103 PolarHBondContact O-N 3.4Å; E100-K103 PolarHBondContact O-N 3.11Å; K103-L106 PolarHBondContact O-N 3.09Å; K103-Q107 VanDerWaalsContact O-CG 3.31Å; K103-Q107 WeakPolarHBondContact O-CG 3.5Å; K103-Q107 PolarHBondContact O-N 2.9Å; K103-T140 HydrophobicContact CB-CG2 3.95Å; K103-T140 HydrophobicContact CG-CG2 4.4Å; K103-F144 HydrophobicContact CG-CE2 4.27Å; K103-F144 HydrophobicContact CG-CZ 4.48Å |
| 104 | R | 90.4 | Very high | 85.4 | Confident | 47 Ų | 47 | 50 Ų | 50 | 18% | 0.177 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 177.7 | -176.2 | 65.7 | -168.3 | 81.6 | -0.7 | 112.3 | L66 E70 E100 C101 L102 Q107 E108 | L66-R104 HydrophobicContact CD1-CB 3.82Å; L66-R104 HydrophobicContact CD1-CG 4.11Å; E70-R104 HydrophobicContact CG-CG 4.09Å; E70-R104 IonicContact OE1-NE 2.72Å; E100-R104 WeakPolarHBondContact O-CB 3.26Å; E100-R104 PolarHBondContact O-N 3.36Å; C101-R104 PolarHBondContact O-N 3.35Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 3.41Å; R104-Q107 PolarHBondContact O-N 2.92Å; R104-E108 IonicContact CZ-OE1 2.87Å; R104-E108 IonicContact NH1-OE1 3.51Å; R104-E108 PolarHBondContact NH1-OE1 3.12Å; R104-E108 IonicContact NH2-OE1 3.88Å; R104-E108 PolarHBondContact NH2-OE1 3.33Å |
| 105 | L | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.2 | -73.3 | 167.5 | 0 | 0 | 0 | 112.3 | F57 A61 L69 I73 V79 A89 L90 A93 C101 L102 Q107 E108 L110 | F57-L105 HydrophobicContact CE2-CD2 4.13Å; F57-L105 HydrophobicContact CZ-CD2 3.59Å; A61-L105 HydrophobicContact CB-CD1 4.22Å; L69-L105 HydrophobicContact CD1-CD2 4.35Å; L69-L105 HydrophobicContact CD2-CD1 4.34Å; L69-L105 HydrophobicContact CD2-CD2 4.28Å; L69-L105 HydrophobicContact CD2-CG 4.01Å; I73-L105 HydrophobicContact CD1-CD2 4.11Å; V79-L105 HydrophobicContact CG1-CD2 3.82Å; A89-L105 HydrophobicContact CB-CD1 4.04Å; A89-L105 HydrophobicContact CB-CD2 4.38Å; L90-L105 HydrophobicContact CD1-CB 3.98Å; A93-L105 HydrophobicContact CB-CD1 4.27Å; C101-L105 WeakPolarHBondContact O-CB 3.4Å; C101-L105 VanDerWaalsContact O-CG 3.23Å; C101-L105 WeakPolarHBondContact O-CG 3.46Å; C101-L105 PolarHBondContact O-N 3.38Å; L102-L105 PolarHBondContact O-N 2.98Å; L105-Q107 VanDerWaalsContact C-N 3.26Å; L105-Q107 PolarHBondContact O-N 3.43Å; L105-E108 WeakPolarHBondContact O-CB 3.5Å; L105-E108 PolarHBondContact O-N 3.47Å; L105-E108 VanDerWaalsContact O-N 3.13Å; L105-L110 HydrophobicContact CB-CD1 3.97Å; L105-L110 HydrophobicContact CD2-CD1 4.35Å; L105-L110 WeakPolarHBondContact O-CD1 3.22Å |
| 106 | L | 87.4 | Confident | 85.4 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -27.8 | 178 | -69 | 166.8 | 0 | 0 | 0 | 112.6 | L90 L102 K103 E108 R109 V112 T140 L141 F144 | L90-L106 HydrophobicContact CD1-CD1 4.48Å; L90-L106 HydrophobicContact CD1-CD2 3.72Å; L90-L106 HydrophobicContact CD1-CG 3.74Å; L90-L106 HydrophobicContact CD2-CD2 3.81Å; L90-L106 HydrophobicContact CG-CD2 4.42Å; L102-L106 HydrophobicContact CD2-CD1 4.29Å; L102-L106 HydrophobicContact CG-CD1 4.08Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.19Å; K103-L106 PolarHBondContact O-N 3.09Å; L106-E108 PolarHBondContact O-N 3.03Å; L106-R109 PolarHBondContact O-N 3.05Å; L106-V112 HydrophobicContact CD2-CB 4.2Å; L106-V112 HydrophobicContact CD2-CG1 3.97Å; L106-V112 HydrophobicContact CD2-CG2 3.85Å; L106-T140 HydrophobicContact CD1-CG2 4.29Å; L106-L141 HydrophobicContact CD1-CD2 4.25Å; L106-F144 HydrophobicContact CB-CD1 3.68Å; L106-F144 HydrophobicContact CB-CD2 4.22Å; L106-F144 HydrophobicContact CB-CE1 3.66Å; L106-F144 HydrophobicContact CB-CE2 4.2Å; L106-F144 HydrophobicContact CB-CG 3.95Å; L106-F144 HydrophobicContact CB-CZ 3.93Å; L106-F144 HydrophobicContact CD1-CB 4.05Å; L106-F144 HydrophobicContact CD1-CD1 4.42Å; L106-F144 HydrophobicContact CD1-CD2 3.71Å; L106-F144 HydrophobicContact CD1-CE2 4.2Å; L106-F144 HydrophobicContact CD1-CG 3.81Å; L106-F144 HydrophobicContact CG-CG 4.36Å |
| 107 | Q | 86.6 | Confident | 85.4 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.6 | -22 | 173.2 | -72.3 | 168.5 | -4.8 | 0 | 0 | 113.3 | K103 R104 L105 R109 F144 | K103-Q107 VanDerWaalsContact O-CG 3.31Å; K103-Q107 WeakPolarHBondContact O-CG 3.5Å; K103-Q107 PolarHBondContact O-N 2.9Å; R104-Q107 PolarHBondContact O-N 2.92Å; L105-Q107 VanDerWaalsContact C-N 3.26Å; L105-Q107 PolarHBondContact O-N 3.43Å; Q107-R109 PolarHBondContact O-N 3.24Å; Q107-F144 HydrophobicContact CG-CZ 4.28Å |
| 108 | E | 79.6 | Confident | 85.4 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 18.9 | 177.5 | -66.4 | -61.7 | 149.2 | 0 | 0 | 113.7 | I73 R104 L105 L106 L110 | I73-E108 HydrophobicContact CD1-CG 4.34Å; I73-E108 HydrophobicContact CG2-CG 3.84Å; I73-E108 WeakPolarHBondContact CG2-OE1 3.49Å; R104-E108 IonicContact CZ-OE1 2.87Å; R104-E108 IonicContact NH1-OE1 3.51Å; R104-E108 PolarHBondContact NH1-OE1 3.12Å; R104-E108 IonicContact NH2-OE1 3.88Å; R104-E108 PolarHBondContact NH2-OE1 3.33Å; L105-E108 WeakPolarHBondContact O-CB 3.5Å; L105-E108 PolarHBondContact O-N 3.47Å; L105-E108 VanDerWaalsContact O-N 3.13Å; L106-E108 PolarHBondContact O-N 3.03Å; E108-L110 VanDerWaalsContact C-N 3.25Å; E108-L110 PolarHBondContact O-N 2.86Å |
| 109 | R | 67.3 | Low | 85.2 | Confident | 153 Ų | 153 | 53.3 Ų | 53.3 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 28 | -179.4 | -56.7 | -175.6 | 174.4 | -138 | 1.5 | 114.7 | L106 Q107 | L106-R109 PolarHBondContact O-N 3.05Å; Q107-R109 PolarHBondContact O-N 3.24Å |
| 110 | L | 75.3 | Confident | 85.3 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | trans | -62.6 | 145.8 | 168.5 | -67.6 | 178.8 | 0 | 0 | 0 | 110.8 | V79 L105 E108 V112 | V79-L110 HydrophobicContact CB-CD2 3.92Å; V79-L110 HydrophobicContact CG1-CD1 3.57Å; V79-L110 HydrophobicContact CG1-CD2 3.69Å; V79-L110 HydrophobicContact CG1-CG 3.85Å; L105-L110 HydrophobicContact CB-CD1 3.97Å; L105-L110 HydrophobicContact CD2-CD1 4.35Å; L105-L110 WeakPolarHBondContact O-CD1 3.22Å; E108-L110 VanDerWaalsContact C-N 3.25Å; E108-L110 PolarHBondContact O-N 2.86Å; L110-V112 PolarHBondContact O-N 3.36Å | ||
| 111 | A | 78.4 | Confident | 85.4 | Confident | 69 Ų | 69 | 47.1 Ų | 47.1 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | trans | -64.3 | 118.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D113 C114 | A111-D113 PolarHBondContact O-N 3.17Å; A111-C114 WeakPolarHBondContact O-CB 3.33Å; A111-C114 PolarHBondContact O-N 3.31Å | ||
| 112 | V | 83.1 | Confident | 85.5 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -37.1 | -178.9 | -168 | 0 | 0 | 0 | 0 | 111.2 | L106 L110 C114 P122 L141 F144 A146 | L106-V112 HydrophobicContact CD2-CB 4.2Å; L106-V112 HydrophobicContact CD2-CG1 3.97Å; L106-V112 HydrophobicContact CD2-CG2 3.85Å; L110-V112 PolarHBondContact O-N 3.36Å; V112-C114 VanDerWaalsContact C-N 3.32Å; V112-C114 PolarHBondContact O-N 3.33Å; V112-P122 VanDerWaalsContact O-CD 3.3Å; V112-P122 WeakPolarHBondContact O-CD 3.46Å; V112-P122 WeakPolarHBondContact O-CG 3.42Å; V112-L141 HydrophobicContact CG1-CD2 4Å; V112-F144 HydrophobicContact CG2-CB 4.22Å; V112-A146 HydrophobicContact CG1-CB 3.66Å |
| 113 | D | 83 | Confident | 85.4 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 31% | 0.31 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 33.7 | 179 | -57.6 | -39.4 | 0 | 0 | 0 | 112.2 | A111 T115 T121 N147 | A111-D113 PolarHBondContact O-N 3.17Å; D113-T115 PolarHBondContact O-N 3.22Å; D113-T121 HydrophobicContact CB-CG2 4.2Å; D113-N147 PolarHBondContact OD1-N 2.97Å; D113-N147 VanDerWaalsContact OD1-N 3.07Å |
| 114 | C | 86.8 | Confident | 85.3 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | trans | -59.2 | 136.5 | 172.5 | 63.2 | 0 | 0 | 0 | 0 | 109.8 | S88 H91 A111 V112 T121 P122 | S88-C114 PolarHBondContact OG-SG 2.87Å; S88-C114 VanDerWaalsContact OG-SG 3.41Å; H91-C114 PolarHBondContact CE1-O 2.94Å; H91-C114 PolarHBondContact CE1-SG 2.94Å; H91-C114 PolarHBondContact NE2-O 3.33Å; A111-C114 WeakPolarHBondContact O-CB 3.33Å; A111-C114 PolarHBondContact O-N 3.31Å; V112-C114 VanDerWaalsContact C-N 3.32Å; V112-C114 PolarHBondContact O-N 3.33Å; C114-T121 WeakPolarHBondContact O-CA 3.43Å; C114-P122 VanDerWaalsContact O-CD 3.31Å; C114-P122 WeakPolarHBondContact O-CD 3.44Å | ||
| 115 | T | 88.3 | Confident | 85.1 | Confident | 83 Ų | 83 | 41.4 Ų | 41.4 | 51% | 0.509 | 23% | 0.225 | S | C | . | . | trans | -100.6 | 143.2 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | D113 G119 R120 T121 | D113-T115 PolarHBondContact O-N 3.22Å; T115-G119 WeakPolarHBondContact CG2-O 3.35Å; T115-R120 CarbonylContact C-O 3.53Å; T115-R120 WeakPolarHBondContact CA-O 3.25Å; T115-T121 HydrophobicContact CG2-CG2 4.18Å | ||
| 116 | D | 87.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | trans | -76.9 | -172.4 | 167.8 | 72.4 | 8.4 | 0 | 0 | 0 | 111.8 | G86 F87 I118 G119 R120 H125 | G86-D116 WeakPolarHBondContact O-CA 3.36Å; F87-D116 HydrophobicContact CD1-CB 4.09Å; F87-D116 HydrophobicContact CE1-CB 4.24Å; F87-D116 VanDerWaalsContact CE1-OD2 3.26Å; F87-D116 WeakPolarHBondContact CE1-OD2 3.24Å; D116-I118 PolarHBondContact O-N 3.45Å; D116-I118 VanDerWaalsContact O-N 3.15Å; D116-I118 WeakPolarHBondContact OD1-CA 3.43Å; D116-I118 PolarHBondContact OD1-N 3.43Å; D116-G119 PolarHBondContact O-N 2.99Å; D116-G119 VanDerWaalsContact O-N 3.14Å; D116-G119 PolarHBondContact OD1-N 2.87Å; D116-R120 PolarHBondContact N-O 2.96Å; D116-R120 WeakPolarHBondContact OD1-CB 3.5Å; D116-R120 PolarHBondContact OD1-N 3.43Å; D116-H125 IonicContact OD2-CD2 2.83Å; D116-H125 IonicContact OD2-CE1 3.07Å; D116-H125 IonicContact OD2-NE2 3.39Å; D116-H125 PolarHBondContact OD2-NE2 3.21Å | ||
| 117 | S | 86.6 | Confident | 83.8 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 56% | 0.559 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11 | 180 | 54 | 0 | 0 | 0 | 0 | 114.9 | A85 | A85-S117 PolarHBondContact O-OG 3.06Š|
| 118 | I | 86.5 | Confident | 82.9 | Confident | 70 Ų | 70 | 42 Ų | 42 | 36% | 0.359 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 16.3 | -179.5 | -46 | 166.7 | 0 | 0 | 0 | 109.8 | D116 R120 D153 | D116-I118 PolarHBondContact O-N 3.45Å; D116-I118 VanDerWaalsContact O-N 3.15Å; D116-I118 WeakPolarHBondContact OD1-CA 3.43Å; D116-I118 PolarHBondContact OD1-N 3.43Å; I118-R120 PolarHBondContact O-N 3.48Å; I118-D153 VanDerWaalsContact CA-OD2 3.29Å; I118-D153 WeakPolarHBondContact CA-OD2 3.45Å; I118-D153 HydrophobicContact CG2-CB 4.28Å; I118-D153 WeakPolarHBondContact O-CB 3.43Å; I118-D153 PolarHBondContact O-N 3Å; I118-D153 VanDerWaalsContact O-N 3.08Å |
| 119 | G | 86.5 | Confident | 82.1 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 74.6 | 7.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T115 D116 | T115-G119 WeakPolarHBondContact CG2-O 3.35Å; D116-G119 PolarHBondContact O-N 2.99Å; D116-G119 VanDerWaalsContact O-N 3.14Å; D116-G119 PolarHBondContact OD1-N 2.87Å |
| 120 | R | 90.3 | Very high | 81.6 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | trans | -84 | 136.9 | -178.5 | -71.7 | -179.5 | 170.4 | 145.6 | 6.9 | 111.6 | H91 T115 D116 I118 H124 H125 D152 D154 | H91-R120 PolarHBondContact NE2-O 2.86Å; T115-R120 CarbonylContact C-O 3.53Å; T115-R120 WeakPolarHBondContact CA-O 3.25Å; D116-R120 PolarHBondContact N-O 2.96Å; D116-R120 WeakPolarHBondContact OD1-CB 3.5Å; D116-R120 PolarHBondContact OD1-N 3.43Å; I118-R120 PolarHBondContact O-N 3.48Å; R120-H124 HydrophobicContact CB-CB 3.85Å; R120-H124 HydrophobicContact CG-CB 4.06Å; R120-H125 WeakPolarHBondContact CB-NE2 3.48Å; R120-D152 HydrophobicContact CB-CB 4.46Å; R120-D152 HydrophobicContact CG-CB 3.48Å; R120-D152 VanDerWaalsContact CG-CB 3.48Å; R120-D152 IonicContact CZ-OD2 2.66Å; R120-D152 IonicContact NE-OD2 4Å; R120-D152 PolarHBondContact NE-OD2 3.49Å; R120-D152 IonicContact NH2-OD2 3.15Å; R120-D152 PolarHBondContact NH2-OD2 3.02Å; R120-D154 IonicContact NH2-OD2 3.86Å | ||
| 121 | T | 91.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -84.6 | 168.3 | 172.9 | 69.8 | 0 | 0 | 0 | 0 | 112 | D113 C114 T115 L123 H124 H125 V150 | D113-T121 HydrophobicContact CB-CG2 4.2Å; C114-T121 WeakPolarHBondContact O-CA 3.43Å; T115-T121 HydrophobicContact CG2-CG2 4.18Å; T121-L123 PolarHBondContact O-N 3.44Å; T121-L123 VanDerWaalsContact O-N 3.14Å; T121-H124 PolarHBondContact N-ND1 2.97Å; T121-H124 WeakPolarHBondContact O-CB 3.47Å; T121-H124 PolarHBondContact O-N 3.48Å; T121-H124 PolarHBondContact OG1-ND1 2.91Å; T121-H125 PolarHBondContact O-CD2 3.1Å; T121-V150 HydrophobicContact CG2-CB 4.05Å; T121-V150 HydrophobicContact CG2-CG1 3.62Å; T121-V150 HydrophobicContact CG2-CG2 4.26Å | ||
| 122 | P | 89.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -32.1 | 175 | -23.7 | 34.6 | 0 | 0 | 0 | 112.1 | L90 A94 V112 C114 H124 H125 A126 L141 | L90-P122 HydrophobicContact CB-CG 4.25Å; L90-P122 HydrophobicContact CD2-CB 4.46Å; L90-P122 HydrophobicContact CD2-CG 3.65Å; L90-P122 HydrophobicContact CG-CB 4.2Å; L90-P122 HydrophobicContact CG-CG 3.77Å; A94-P122 HydrophobicContact CB-CB 3.87Å; A94-P122 WeakPolarHBondContact CB-O 3.31Å; V112-P122 VanDerWaalsContact O-CD 3.3Å; V112-P122 WeakPolarHBondContact O-CD 3.46Å; V112-P122 WeakPolarHBondContact O-CG 3.42Å; C114-P122 VanDerWaalsContact O-CD 3.31Å; C114-P122 WeakPolarHBondContact O-CD 3.44Å; P122-H124 VanDerWaalsContact C-N 3.33Å; P122-H124 PolarHBondContact O-N 2.86Å; P122-H125 CarbonylContact O-C 3.59Å; P122-H125 PolarHBondContact O-N 3.14Å; P122-H125 VanDerWaalsContact O-N 3.15Å; P122-A126 PolarHBondContact O-N 3.38Å; P122-L141 HydrophobicContact CB-CD1 4.12Å; P122-L141 HydrophobicContact CB-CD2 4.12Å |
| 123 | L | 89.9 | Confident | 77.9 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -32.2 | 177.1 | -169.6 | 64.6 | 0 | 0 | 0 | 112.8 | T121 H125 A126 T138 L141 A146 L148 P158 | T121-L123 PolarHBondContact O-N 3.44Å; T121-L123 VanDerWaalsContact O-N 3.14Å; L123-H125 PolarHBondContact O-N 3.37Å; L123-A126 HydrophobicContact CD1-CB 4.46Å; L123-A126 WeakPolarHBondContact O-CB 3.39Å; L123-A126 PolarHBondContact O-N 2.88Å; L123-T138 HydrophobicContact CD1-CG2 3.77Å; L123-L141 HydrophobicContact CB-CD1 4.01Å; L123-L141 HydrophobicContact CD1-CB 4.18Å; L123-L141 HydrophobicContact CD1-CD1 3.87Å; L123-A146 HydrophobicContact CD2-CB 4.36Å; L123-L148 HydrophobicContact CD2-CD2 3.54Å; L123-P158 HydrophobicContact CB-CG 4.29Å; L123-P158 HydrophobicContact CD2-CB 4.26Å; L123-P158 HydrophobicContact CD2-CG 3.93Å; L123-P158 HydrophobicContact CG-CB 4.05Å; L123-P158 HydrophobicContact CG-CG 3.96Å |
| 124 | H | 88.8 | Confident | 77.1 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.6 | -29.1 | 173.6 | -70.1 | 80.6 | 0 | 0 | 0 | 112.5 | R120 T121 P122 V150 A156 P158 L161 | R120-H124 HydrophobicContact CB-CB 3.85Å; R120-H124 HydrophobicContact CG-CB 4.06Å; T121-H124 PolarHBondContact N-ND1 2.97Å; T121-H124 WeakPolarHBondContact O-CB 3.47Å; T121-H124 PolarHBondContact O-N 3.48Å; T121-H124 PolarHBondContact OG1-ND1 2.91Å; P122-H124 VanDerWaalsContact C-N 3.33Å; P122-H124 PolarHBondContact O-N 2.86Å; H124-V150 PolarHBondContact CE1-O 3.01Å; H124-V150 VanDerWaalsContact CE1-O 3.31Å; H124-V150 PolarHBondContact NE2-O 3.01Å; H124-A156 PolarHBondContact NE2-O 2.87Å; H124-A156 VanDerWaalsContact NE2-O 3.11Å; H124-P158 WeakPolarHBondContact NE2-CD 3.35Å; H124-L161 HydrophobicContact CB-CD1 3.89Å |
| 125 | H | 85.8 | Confident | 76.7 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -94.1 | -12.7 | 178.9 | -67.8 | -79.3 | 0 | 0 | 0 | 113.1 | F87 H91 K95 D116 R120 T121 P122 L123 D127 R128 | F87-H125 AromaticContact CE1-CE1 3.5Å; F87-H125 VanDerWaalsContact CE1-CE1 3.5Å; F87-H125 WeakPolarHBondContact CE1-CE1 3.49Å; F87-H125 AromaticContact CE1-NE2 3.52Å; H91-H125 AromaticContact CD2-CD2 3.9Å; K95-H125 WeakPolarHBondContact CA-O 3.41Å; K95-H125 HydrophobicContact CB-CB 4.1Å; D116-H125 IonicContact OD2-CD2 2.83Å; D116-H125 IonicContact OD2-CE1 3.07Å; D116-H125 IonicContact OD2-NE2 3.39Å; D116-H125 PolarHBondContact OD2-NE2 3.21Å; R120-H125 WeakPolarHBondContact CB-NE2 3.48Å; T121-H125 PolarHBondContact O-CD2 3.1Å; P122-H125 CarbonylContact O-C 3.59Å; P122-H125 PolarHBondContact O-N 3.14Å; P122-H125 VanDerWaalsContact O-N 3.15Å; L123-H125 PolarHBondContact O-N 3.37Å; H125-D127 PolarHBondContact O-N 3.09Å; H125-R128 WeakPolarHBondContact O-CB 3.31Å; H125-R128 PolarHBondContact O-N 2.88Å |
| 126 | A | 79.1 | Confident | 76.6 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 130.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P122 L123 R128 T138 L141 | P122-A126 PolarHBondContact O-N 3.38Å; L123-A126 HydrophobicContact CD1-CB 4.46Å; L123-A126 WeakPolarHBondContact O-CB 3.39Å; L123-A126 PolarHBondContact O-N 2.88Å; A126-R128 PolarHBondContact O-N 3.43Å; A126-T138 WeakPolarHBondContact CB-OG1 3.46Å; A126-L141 HydrophobicContact CB-CD1 4.27Å |
| 127 | D | 68.8 | Low | 76.5 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.053 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 12.3 | 174.8 | -56.5 | -37.4 | 0 | 0 | 0 | 117.1 | N97 H125 K129 A130 T138 | N97-D127 PolarHBondContact ND2-OD1 3.4Å; H125-D127 PolarHBondContact O-N 3.09Å; D127-K129 PolarHBondContact O-N 3.46Å; D127-A130 HydrophobicContact CB-CB 4.14Å; D127-A130 PolarHBondContact O-N 3.46Å; D127-T138 PolarHBondContact OD2-OG1 3.47Å |
| 128 | R | 68.4 | Low | 76.6 | Confident | 113 Ų | 113 | 39.8 Ų | 39.8 | 43% | 0.426 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.2 | 172.5 | -164.3 | 174.3 | -169 | 166.4 | 6 | 112.6 | H125 A126 L165 | H125-R128 WeakPolarHBondContact O-CB 3.31Å; H125-R128 PolarHBondContact O-N 2.88Å; A126-R128 PolarHBondContact O-N 3.43Å; R128-L165 HydrophobicContact CG-CD1 4.13Å |
| 129 | K | 63 | Low | 76.7 | Confident | 145 Ų | 145 | 40.3 Ų | 40.3 | 63% | 0.63 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -0 | -176.4 | -153.4 | 179.8 | 176.4 | -173 | 0 | 114.1 | K95 D127 I131 | K95-K129 WeakPolarHBondContact O-CB 3.39Å; D127-K129 PolarHBondContact O-N 3.46Å; K129-I131 PolarHBondContact O-N 3.03Å |
| 130 | A | 56.5 | Low | 76.8 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 12% | 0.116 | 22% | 0.222 | C | C | . | . | trans | -67.8 | 128 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D127 S132 R167 | D127-A130 HydrophobicContact CB-CB 4.14Å; D127-A130 PolarHBondContact O-N 3.46Å; A130-S132 VanDerWaalsContact C-N 3.29Å; A130-R167 PolarHBondContact O-NH1 3.36Å; A130-R167 PolarHBondContact O-NH2 2.89Å; A130-R167 VanDerWaalsContact O-NH2 3.1Å | ||
| 131 | I | 52.3 | Low | 76.8 | Confident | 173 Ų | 173 | 39.3 Ų | 39.3 | 89% | 0.887 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -78.4 | -16.2 | -178.4 | -65.8 | 173.6 | 0 | 0 | 0 | 111.4 | K129 | K129-I131 PolarHBondContact O-N 3.03Š|
| 132 | S | 52 | Low | 76.6 | Confident | 79 Ų | 79 | 43 Ų | 43 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -162.9 | 140.1 | 174.6 | 56.1 | 0 | 0 | 0 | 0 | 108.7 | A130 C134 | A130-S132 VanDerWaalsContact C-N 3.29Å; S132-C134 PolarHBondContact O-N 2.91Å; S132-C134 PolarHBondContact O-SG 3.07Å |
| 133 | G | 54.8 | Low | 76.6 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | trans | 6.7 | 18.7 | 164 | 0 | 0 | 0 | 0 | 0 | 125.5 | L135 E169 | G133-L135 PolarHBondContact O-N 2.88Å; G133-E169 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 134 | C | 64.9 | Low | 76.4 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | trans | -81.6 | 89.4 | -178.6 | -69.4 | 0 | 0 | 0 | 0 | 108.4 | N97 S132 S136 | N97-C134 WeakPolarHBondContact ND2-CB 3.42Å; N97-C134 PolarHBondContact ND2-O 2.82Å; S132-C134 PolarHBondContact O-N 2.91Å; S132-C134 PolarHBondContact O-SG 3.07Å; C134-S136 PolarHBondContact O-N 3.46Å | ||
| 135 | L | 79.9 | Confident | 76.3 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 7 | 175.4 | -65.4 | 169.3 | 0 | 0 | 0 | 113.2 | G133 S137 T138 E139 E169 L170 F173 | G133-L135 PolarHBondContact O-N 2.88Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.48Å; L135-T138 CarbonylContact O-C 3.44Å; L135-T138 WeakPolarHBondContact O-CA 3.47Å; L135-T138 WeakPolarHBondContact O-CB 3.42Å; L135-T138 PolarHBondContact O-N 3.05Å; L135-E139 HydrophobicContact CB-CG 4.34Å; L135-E139 WeakPolarHBondContact O-CG 3.45Å; L135-E139 PolarHBondContact O-N 3Å; L135-E169 HydrophobicContact CD1-CB 4.24Å; L135-L170 HydrophobicContact CD2-CB 3.92Å; L135-L170 HydrophobicContact CD2-CD1 3.78Å; L135-L170 HydrophobicContact CD2-CG 4.47Å; L135-F173 HydrophobicContact CD1-CB 3.86Å; L135-F173 HydrophobicContact CD1-CD2 4.15Å; L135-F173 HydrophobicContact CD1-CG 4.19Å |
| 136 | S | 86.1 | Confident | 76.5 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.7 | -40.5 | -169.8 | -51.9 | 0 | 0 | 0 | 0 | 113.5 | C134 T140 | C134-S136 PolarHBondContact O-N 3.46Å; S136-T140 WeakPolarHBondContact O-CB 3.41Å; S136-T140 PolarHBondContact O-N 3.5Å; S136-T140 PolarHBondContact O-OG1 3.49Å |
| 137 | S | 85.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 175.3 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | N97 L102 L135 T140 L141 | N97-S137 VanDerWaalsContact C-OG 3.32Å; N97-S137 VanDerWaalsContact CA-OG 3.24Å; N97-S137 WeakPolarHBondContact CA-OG 3.34Å; N97-S137 VanDerWaalsContact OD1-CB 3.24Å; N97-S137 WeakPolarHBondContact OD1-CB 3.47Å; N97-S137 PolarHBondContact OD1-N 2.87Å; N97-S137 PolarHBondContact OD1-OG 2.99Å; L102-S137 WeakPolarHBondContact CD2-O 3.48Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.48Å; S137-T140 PolarHBondContact O-N 3.33Å; S137-L141 WeakPolarHBondContact O-CG 3.24Å; S137-L141 PolarHBondContact O-N 3.44Å |
| 138 | T | 87.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.8 | -57 | 0 | 0 | 0 | 0 | 111.5 | L123 A126 D127 L135 L141 W142 L170 F173 | L123-T138 HydrophobicContact CD1-CG2 3.77Å; A126-T138 WeakPolarHBondContact CB-OG1 3.46Å; D127-T138 PolarHBondContact OD2-OG1 3.47Å; L135-T138 CarbonylContact O-C 3.44Å; L135-T138 WeakPolarHBondContact O-CA 3.47Å; L135-T138 WeakPolarHBondContact O-CB 3.42Å; L135-T138 PolarHBondContact O-N 3.05Å; T138-L141 PolarHBondContact O-N 2.84Å; T138-W142 WeakPolarHBondContact O-CB 3.48Å; T138-W142 PolarHBondContact O-N 3.1Å; T138-L170 HydrophobicContact CG2-CD1 3.46Å; T138-L170 VanDerWaalsContact CG2-CD1 3.46Å; T138-F173 HydrophobicContact CG2-CD1 3.71Å; T138-F173 HydrophobicContact CG2-CE1 3.68Å |
| 139 | E | 89.1 | Confident | 78.8 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 173.2 | -75.3 | 177.9 | 164.1 | 0 | 0 | 111.2 | L135 L141 W142 D143 F173 | L135-E139 HydrophobicContact CB-CG 4.34Å; L135-E139 WeakPolarHBondContact O-CG 3.45Å; L135-E139 PolarHBondContact O-N 3Å; E139-L141 PolarHBondContact O-N 3.29Å; E139-W142 PolarHBondContact O-N 2.94Å; E139-D143 WeakPolarHBondContact O-CB 3.33Å; E139-D143 VanDerWaalsContact O-CG 3.24Å; E139-D143 PolarHBondContact O-N 3.04Å; E139-F173 HydrophobicContact CB-CZ 4.39Å; E139-F173 HydrophobicContact CG-CD2 4.39Å; E139-F173 HydrophobicContact CG-CE2 3.52Å; E139-F173 HydrophobicContact CG-CZ 3.73Å |
| 140 | T | 89.1 | Confident | 80.1 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 178.3 | -49.3 | 0 | 0 | 0 | 0 | 110.8 | L102 K103 L106 S136 S137 W142 D143 F144 | L102-T140 HydrophobicContact CD2-CG2 4.13Å; K103-T140 HydrophobicContact CB-CG2 3.95Å; K103-T140 HydrophobicContact CG-CG2 4.4Å; L106-T140 HydrophobicContact CD1-CG2 4.29Å; S136-T140 WeakPolarHBondContact O-CB 3.41Å; S136-T140 PolarHBondContact O-N 3.5Å; S136-T140 PolarHBondContact O-OG1 3.49Å; S137-T140 PolarHBondContact O-N 3.33Å; T140-W142 VanDerWaalsContact C-N 3.32Å; T140-W142 PolarHBondContact O-N 3.39Å; T140-D143 PolarHBondContact O-N 2.99Å; T140-F144 HydrophobicContact CG2-CD2 4.21Å; T140-F144 HydrophobicContact CG2-CE2 4.17Å; T140-F144 VanDerWaalsContact O-CD2 3.28Å; T140-F144 WeakPolarHBondContact O-CD2 3.28Å; T140-F144 PolarHBondContact O-N 2.7Å |
| 141 | L | 89.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 175.9 | -72.8 | 172.2 | 0 | 0 | 0 | 111.8 | A94 L102 L106 V112 P122 L123 A126 S137 T138 E139 F144 K145 A146 | A94-L141 HydrophobicContact CB-CD1 4.27Å; L102-L141 HydrophobicContact CD1-CD2 4.27Å; L102-L141 HydrophobicContact CD2-CD2 3.97Å; L102-L141 HydrophobicContact CD2-CG 3.82Å; L102-L141 HydrophobicContact CG-CD2 4.43Å; L106-L141 HydrophobicContact CD1-CD2 4.25Å; V112-L141 HydrophobicContact CG1-CD2 4Å; P122-L141 HydrophobicContact CB-CD1 4.12Å; P122-L141 HydrophobicContact CB-CD2 4.12Å; L123-L141 HydrophobicContact CB-CD1 4.01Å; L123-L141 HydrophobicContact CD1-CB 4.18Å; L123-L141 HydrophobicContact CD1-CD1 3.87Å; A126-L141 HydrophobicContact CB-CD1 4.27Å; S137-L141 WeakPolarHBondContact O-CG 3.24Å; S137-L141 PolarHBondContact O-N 3.44Å; T138-L141 PolarHBondContact O-N 2.84Å; E139-L141 PolarHBondContact O-N 3.29Å; L141-F144 CarbonylContact O-C 3.59Å; L141-F144 PolarHBondContact O-N 3.12Å; L141-K145 PolarHBondContact O-N 2.94Å; L141-A146 HydrophobicContact CB-CB 3.99Å; L141-A146 WeakPolarHBondContact O-CB 3.4Å; L141-A146 PolarHBondContact O-N 3.02Å |
| 142 | W | 88.4 | Confident | 83.6 | Confident | 77 Ų | 77 | 52 Ų | 52 | 29% | 0.292 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.1 | 170.7 | -86.9 | 0 | 0 | 0 | 112.5 | T138 E139 T140 F144 K145 L148 F173 R177 | T138-W142 WeakPolarHBondContact O-CB 3.48Å; T138-W142 PolarHBondContact O-N 3.1Å; E139-W142 PolarHBondContact O-N 2.94Å; T140-W142 VanDerWaalsContact C-N 3.32Å; T140-W142 PolarHBondContact O-N 3.39Å; W142-F144 PolarHBondContact O-N 3.44Å; W142-K145 WeakPolarHBondContact O-CA 3.42Å; W142-K145 PolarHBondContact O-N 3.24Å; W142-L148 HydrophobicContact CE3-CD1 3.75Å; W142-L148 HydrophobicContact CE3-CD2 3.65Å; W142-L148 HydrophobicContact CE3-CG 3.76Å; W142-L148 HydrophobicContact CH2-CD1 4.26Å; W142-L148 HydrophobicContact CZ3-CD1 3.4Å; W142-L148 VanDerWaalsContact CZ3-CD1 3.4Å; W142-L148 HydrophobicContact CZ3-CD2 4.06Å; W142-L148 HydrophobicContact CZ3-CG 3.6Å; W142-F173 HydrophobicContact CB-CE1 4.27Å; W142-F173 HydrophobicContact CB-CZ 4.25Å; W142-F173 HydrophobicContact CG-CZ 4.48Å; W142-R177 HydrophobicContact CD2-CB 4.18Å; W142-R177 HydrophobicContact CD2-CG 4.18Å; W142-R177 HydrophobicContact CE3-CB 4.19Å; W142-R177 HydrophobicContact CH2-CB 3.88Å; W142-R177 WeakPolarHBondContact CH2-O 3.49Å; W142-R177 HydrophobicContact CZ2-CB 3.93Å; W142-R177 HydrophobicContact CZ2-CG 4.33Å; W142-R177 HydrophobicContact CZ3-CB 4.06Å |
| 143 | D | 89.1 | Confident | 85.5 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.8 | -30 | 179.1 | -72.3 | -13.4 | 0 | 0 | 0 | 111.5 | E139 T140 K145 | E139-D143 WeakPolarHBondContact O-CB 3.33Å; E139-D143 VanDerWaalsContact O-CG 3.24Å; E139-D143 PolarHBondContact O-N 3.04Å; T140-D143 PolarHBondContact O-N 2.99Å; D143-K145 VanDerWaalsContact C-N 3.27Å; D143-K145 PolarHBondContact O-N 3.38Å |
| 144 | F | 86.8 | Confident | 87.1 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 32% | 0.316 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 13.5 | 171.8 | -78.3 | -95.9 | 0 | 0 | 0 | 114.2 | K103 L106 Q107 V112 T140 L141 W142 | K103-F144 HydrophobicContact CG-CE2 4.27Å; K103-F144 HydrophobicContact CG-CZ 4.48Å; L106-F144 HydrophobicContact CB-CD1 3.68Å; L106-F144 HydrophobicContact CB-CD2 4.22Å; L106-F144 HydrophobicContact CB-CE1 3.66Å; L106-F144 HydrophobicContact CB-CE2 4.2Å; L106-F144 HydrophobicContact CB-CG 3.95Å; L106-F144 HydrophobicContact CB-CZ 3.93Å; L106-F144 HydrophobicContact CD1-CB 4.05Å; L106-F144 HydrophobicContact CD1-CD1 4.42Å; L106-F144 HydrophobicContact CD1-CD2 3.71Å; L106-F144 HydrophobicContact CD1-CE2 4.2Å; L106-F144 HydrophobicContact CD1-CG 3.81Å; L106-F144 HydrophobicContact CG-CG 4.36Å; Q107-F144 HydrophobicContact CG-CZ 4.28Å; V112-F144 HydrophobicContact CG2-CB 4.22Å; T140-F144 HydrophobicContact CG2-CD2 4.21Å; T140-F144 HydrophobicContact CG2-CE2 4.17Å; T140-F144 VanDerWaalsContact O-CD2 3.28Å; T140-F144 WeakPolarHBondContact O-CD2 3.28Å; T140-F144 PolarHBondContact O-N 2.7Å; L141-F144 CarbonylContact O-C 3.59Å; L141-F144 PolarHBondContact O-N 3.12Å; W142-F144 PolarHBondContact O-N 3.44Å |
| 145 | K | 86.8 | Confident | 88.3 | Confident | 182 Ų | 182 | 52.6 Ų | 52.6 | 79% | 0.791 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 37.2 | 176.3 | -51.8 | -177.2 | 178.6 | -177.9 | 0 | 115 | L141 W142 D143 | L141-K145 PolarHBondContact O-N 2.94Å; W142-K145 WeakPolarHBondContact O-CA 3.42Å; W142-K145 PolarHBondContact O-N 3.24Å; D143-K145 VanDerWaalsContact C-N 3.27Å; D143-K145 PolarHBondContact O-N 3.38Å |
| 146 | A | 88.1 | Confident | 88.9 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | trans | -56.2 | 140.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V112 L123 L141 | V112-A146 HydrophobicContact CG1-CB 3.66Å; L123-A146 HydrophobicContact CD2-CB 4.36Å; L141-A146 HydrophobicContact CB-CB 3.99Å; L141-A146 WeakPolarHBondContact O-CB 3.4Å; L141-A146 PolarHBondContact O-N 3.02Å | ||
| 147 | N | 87.5 | Confident | 89.2 | Confident | 80 Ų | 80 | 49.9 Ų | 49.9 | 43% | 0.428 | 24% | 0.241 | S | C | . | . | trans | -79.7 | 123.8 | 176.3 | -179.8 | 5.6 | 0 | 0 | 0 | 110.6 | D113 D149 V150 | D113-N147 PolarHBondContact OD1-N 2.97Å; D113-N147 VanDerWaalsContact OD1-N 3.07Å; N147-D149 PolarHBondContact OD1-N 2.94Å; N147-D149 VanDerWaalsContact OD1-N 3.1Å; N147-V150 HydrophobicContact CB-CG2 3.57Å | ||
| 148 | L | 88.9 | Confident | 89.5 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -20.3 | -176.2 | -57.1 | -175.7 | 0 | 0 | 0 | 113.9 | L123 W142 P158 L174 R177 A179 | L123-L148 HydrophobicContact CD2-CD2 3.54Å; W142-L148 HydrophobicContact CE3-CD1 3.75Å; W142-L148 HydrophobicContact CE3-CD2 3.65Å; W142-L148 HydrophobicContact CE3-CG 3.76Å; W142-L148 HydrophobicContact CH2-CD1 4.26Å; W142-L148 HydrophobicContact CZ3-CD1 3.4Å; W142-L148 VanDerWaalsContact CZ3-CD1 3.4Å; W142-L148 HydrophobicContact CZ3-CD2 4.06Å; W142-L148 HydrophobicContact CZ3-CG 3.6Å; L148-P158 WeakPolarHBondContact O-CD 3.26Å; L148-L174 HydrophobicContact CD1-CD2 4.44Å; L148-L174 HydrophobicContact CD2-CD2 3.63Å; L148-L174 HydrophobicContact CG-CD2 4.44Å; L148-R177 HydrophobicContact CD1-CB 3.77Å; L148-A179 HydrophobicContact CB-CB 4.01Å; L148-A179 HydrophobicContact CD1-CB 4.05Å |
| 149 | D | 89.1 | Confident | 89.7 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 18.8 | -172.9 | -68.5 | -41.9 | 0 | 0 | 0 | 112.8 | N147 N180 | N147-D149 PolarHBondContact OD1-N 2.94Å; N147-D149 VanDerWaalsContact OD1-N 3.1Å; D149-N180 PolarHBondContact OD1-N 3.4Å; D149-N180 PolarHBondContact OD2-N 3.14Å |
| 150 | V | 90.6 | Very high | 89.9 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | trans | -63.2 | 139.7 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 109 | T121 H124 N147 T157 P158 | T121-V150 HydrophobicContact CG2-CB 4.05Å; T121-V150 HydrophobicContact CG2-CG1 3.62Å; T121-V150 HydrophobicContact CG2-CG2 4.26Å; H124-V150 PolarHBondContact CE1-O 3.01Å; H124-V150 VanDerWaalsContact CE1-O 3.31Å; H124-V150 PolarHBondContact NE2-O 3.01Å; N147-V150 HydrophobicContact CB-CG2 3.57Å; V150-T157 VanDerWaalsContact O-CA 3.32Å; V150-T157 WeakPolarHBondContact O-CA 3.38Å; V150-P158 WeakPolarHBondContact O-CD 3.37Å | ||
| 151 | R | 91.3 | Very high | 90 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | trans | -107.2 | 132.8 | 178.9 | -62.8 | 178 | 75.7 | -147.3 | 0.9 | 109.3 | G155 A156 T157 Q184 N186 | R151-G155 PolarHBondContact NE-O 2.6Å; R151-G155 PolarHBondContact NH2-O 2.91Å; R151-A156 WeakPolarHBondContact CA-O 3.46Å; R151-T157 HydrophobicContact CG-CG2 3.89Å; R151-Q184 PolarHBondContact NH2-O 3.34Å; R151-Q184 VanDerWaalsContact NH2-O 3.08Å; R151-N186 PolarHBondContact NH2-OD1 3.43Å | ||
| 152 | D | 91.2 | Very high | 90 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | trans | -75.3 | -178 | 169.1 | 72.6 | 1.7 | 0 | 0 | 0 | 111.8 | R120 D154 G155 A156 | R120-D152 HydrophobicContact CB-CB 4.46Å; R120-D152 HydrophobicContact CG-CB 3.48Å; R120-D152 VanDerWaalsContact CG-CB 3.48Å; R120-D152 IonicContact CZ-OD2 2.66Å; R120-D152 IonicContact NE-OD2 4Å; R120-D152 PolarHBondContact NE-OD2 3.49Å; R120-D152 IonicContact NH2-OD2 3.15Å; R120-D152 PolarHBondContact NH2-OD2 3.02Å; D152-D154 PolarHBondContact O-N 2.91Å; D152-D154 WeakPolarHBondContact OD1-CB 3.41Å; D152-D154 PolarHBondContact OD1-N 2.98Å; D152-D154 VanDerWaalsContact OD1-N 3.16Å; D152-G155 WeakPolarHBondContact O-CA 3.46Å; D152-G155 PolarHBondContact O-N 2.68Å; D152-G155 PolarHBondContact OD1-N 3.02Å; D152-A156 PolarHBondContact N-O 3.32Å; D152-A156 WeakPolarHBondContact OD1-CA 3.39Å; D152-A156 WeakPolarHBondContact OD1-CB 3.3Å; D152-A156 PolarHBondContact OD1-N 3.09Å | ||
| 153 | D | 90.9 | Very high | 90.2 | Very high | 102 Ų | 102 | 42.6 Ų | 42.6 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.7 | -178.4 | -69.8 | -13.1 | 0 | 0 | 0 | 113 | I118 G155 N186 | I118-D153 VanDerWaalsContact CA-OD2 3.29Å; I118-D153 WeakPolarHBondContact CA-OD2 3.45Å; I118-D153 HydrophobicContact CG2-CB 4.28Å; I118-D153 WeakPolarHBondContact O-CB 3.43Å; I118-D153 PolarHBondContact O-N 3Å; I118-D153 VanDerWaalsContact O-N 3.08Å; D153-G155 PolarHBondContact O-N 3.29Å; D153-N186 PolarHBondContact O-ND2 2.91Å |
| 154 | D | 88.6 | Confident | 90.2 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.2 | 172.8 | -65.5 | -45.7 | 0 | 0 | 0 | 112.3 | R120 D152 A156 N186 | R120-D154 IonicContact NH2-OD2 3.86Å; D152-D154 PolarHBondContact O-N 2.91Å; D152-D154 WeakPolarHBondContact OD1-CB 3.41Å; D152-D154 PolarHBondContact OD1-N 2.98Å; D152-D154 VanDerWaalsContact OD1-N 3.16Å; D154-A156 VanDerWaalsContact C-N 3.26Å; D154-A156 PolarHBondContact O-N 3.26Å; D154-N186 VanDerWaalsContact C-CG 3.44Å; D154-N186 VanDerWaalsContact O-CB 3.24Å; D154-N186 WeakPolarHBondContact O-CB 3.45Å; D154-N186 PolarHBondContact O-N 2.91Å; D154-N186 PolarHBondContact O-ND2 3.38Å |
| 155 | G | 90.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 78.9 | 6.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R151 D152 D153 D185 N186 | R151-G155 PolarHBondContact NE-O 2.6Å; R151-G155 PolarHBondContact NH2-O 2.91Å; D152-G155 WeakPolarHBondContact O-CA 3.46Å; D152-G155 PolarHBondContact O-N 2.68Å; D152-G155 PolarHBondContact OD1-N 3.02Å; D153-G155 PolarHBondContact O-N 3.29Å; G155-D185 WeakPolarHBondContact O-CA 3.49Å; G155-N186 WeakPolarHBondContact CA-OD1 3.48Å; G155-N186 PolarHBondContact N-ND2 3.34Å |
| 156 | A | 91.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | trans | -79.9 | 136.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H124 R151 D152 D154 L160 L161 | H124-A156 PolarHBondContact NE2-O 2.87Å; H124-A156 VanDerWaalsContact NE2-O 3.11Å; R151-A156 WeakPolarHBondContact CA-O 3.46Å; D152-A156 PolarHBondContact N-O 3.32Å; D152-A156 WeakPolarHBondContact OD1-CA 3.39Å; D152-A156 WeakPolarHBondContact OD1-CB 3.3Å; D152-A156 PolarHBondContact OD1-N 3.09Å; D154-A156 VanDerWaalsContact C-N 3.26Å; D154-A156 PolarHBondContact O-N 3.26Å; A156-L160 HydrophobicContact CB-CB 4.3Å; A156-L161 HydrophobicContact CB-CD2 4.11Å; A156-L161 HydrophobicContact CB-CG 4.25Å | ||
| 157 | T | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -92.2 | 165.7 | 170.7 | 70.7 | 0 | 0 | 0 | 0 | 110.9 | V150 R151 L159 L160 L161 T183 | V150-T157 VanDerWaalsContact O-CA 3.32Å; V150-T157 WeakPolarHBondContact O-CA 3.38Å; R151-T157 HydrophobicContact CG-CG2 3.89Å; T157-L159 PolarHBondContact O-N 3.34Å; T157-L159 VanDerWaalsContact O-N 3.15Å; T157-L159 PolarHBondContact OG1-N 3.04Å; T157-L160 HydrophobicContact CG2-CD1 4.31Å; T157-L160 PolarHBondContact O-N 3.13Å; T157-L160 WeakPolarHBondContact OG1-CD1 3.38Å; T157-L160 PolarHBondContact OG1-N 2.96Å; T157-L161 PolarHBondContact O-N 3.37Å; T157-T183 HydrophobicContact CG2-CG2 3.67Å | ||
| 158 | P | 91.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -51.9 | -36.3 | 172.2 | -27.3 | 35.1 | 0 | 0 | 0 | 112.9 | L123 H124 L148 V150 L161 A162 L174 | L123-P158 HydrophobicContact CB-CG 4.29Å; L123-P158 HydrophobicContact CD2-CB 4.26Å; L123-P158 HydrophobicContact CD2-CG 3.93Å; L123-P158 HydrophobicContact CG-CB 4.05Å; L123-P158 HydrophobicContact CG-CG 3.96Å; H124-P158 WeakPolarHBondContact NE2-CD 3.35Å; L148-P158 WeakPolarHBondContact O-CD 3.26Å; V150-P158 WeakPolarHBondContact O-CD 3.37Å; P158-L161 PolarHBondContact O-N 3.42Å; P158-A162 VanDerWaalsContact O-CB 3.3Å; P158-A162 WeakPolarHBondContact O-CB 3.3Å; P158-A162 PolarHBondContact O-N 2.89Å; P158-L174 HydrophobicContact CB-CD1 4.28Å |
| 159 | L | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 176 | -178 | 64.1 | 0 | 0 | 0 | 112.5 | T157 A162 A163 C171 L174 L175 A179 A191 L207 | T157-L159 PolarHBondContact O-N 3.34Å; T157-L159 VanDerWaalsContact O-N 3.15Å; T157-L159 PolarHBondContact OG1-N 3.04Å; L159-A162 PolarHBondContact O-N 2.79Å; L159-A163 WeakPolarHBondContact O-CB 3.37Å; L159-A163 PolarHBondContact O-N 2.97Å; L159-C171 HydrophobicContact CD1-CB 4.13Å; L159-L174 HydrophobicContact CB-CD1 4.16Å; L159-L174 HydrophobicContact CD1-CB 4.16Å; L159-L174 HydrophobicContact CD1-CD1 4.25Å; L159-L175 HydrophobicContact CD1-CD2 4.41Å; L159-L175 HydrophobicContact CD1-CG 4.13Å; L159-L175 HydrophobicContact CD2-CD2 3.76Å; L159-L175 HydrophobicContact CD2-CG 4.36Å; L159-A179 HydrophobicContact CD2-CB 4.28Å; L159-A191 HydrophobicContact CG-CB 4.23Å; L159-L207 HydrophobicContact CD1-CD2 4.19Å; L159-L207 HydrophobicContact CD2-CD2 4.38Å; L159-L207 HydrophobicContact CG-CD2 4.39Å |
| 160 | L | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 176.2 | -87.4 | 76.9 | 0 | 0 | 0 | 110.9 | A156 T157 A163 Q164 D185 R189 A191 L194 | A156-L160 HydrophobicContact CB-CB 4.3Å; T157-L160 HydrophobicContact CG2-CD1 4.31Å; T157-L160 PolarHBondContact O-N 3.13Å; T157-L160 WeakPolarHBondContact OG1-CD1 3.38Å; T157-L160 PolarHBondContact OG1-N 2.96Å; L160-A163 PolarHBondContact O-N 3.06Å; L160-Q164 WeakPolarHBondContact O-CB 3.35Å; L160-Q164 PolarHBondContact O-N 3.08Å; L160-D185 HydrophobicContact CD2-CB 3.76Å; L160-R189 WeakPolarHBondContact CD2-O 3.34Å; L160-A191 HydrophobicContact CD1-CB 4.26Å; L160-A191 HydrophobicContact CG-CB 4.29Å; L160-L194 HydrophobicContact CB-CD1 3.86Å; L160-L194 HydrophobicContact CD2-CD1 4.1Å; L160-L194 HydrophobicContact CG-CD1 4Å |
| 161 | L | 90.4 | Very high | 90.3 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 176 | -65.6 | 179.8 | 0 | 0 | 0 | 112.1 | H124 A156 T157 P158 A163 Q164 L165 | H124-L161 HydrophobicContact CB-CD1 3.89Å; A156-L161 HydrophobicContact CB-CD2 4.11Å; A156-L161 HydrophobicContact CB-CG 4.25Å; T157-L161 PolarHBondContact O-N 3.37Å; P158-L161 PolarHBondContact O-N 3.42Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.05Å; L161-Q164 PolarHBondContact O-N 3.3Å; L161-L165 WeakPolarHBondContact O-CB 3.35Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.26Å |
| 162 | A | 90.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P158 L159 L165 S166 R167 L170 C171 L174 | P158-A162 VanDerWaalsContact O-CB 3.3Å; P158-A162 WeakPolarHBondContact O-CB 3.3Å; P158-A162 PolarHBondContact O-N 2.89Å; L159-A162 PolarHBondContact O-N 2.79Å; A162-L165 PolarHBondContact O-N 3.08Å; A162-S166 PolarHBondContact O-N 3.22Å; A162-R167 PolarHBondContact O-N 3.46Å; A162-L170 HydrophobicContact CB-CB 4.24Å; A162-L170 HydrophobicContact CB-CD2 3.66Å; A162-L170 HydrophobicContact CB-CG 3.83Å; A162-C171 VanDerWaalsContact CB-SG 3.57Å; A162-L174 HydrophobicContact CB-CD1 4.39Å |
| 163 | A | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L159 L160 L161 L165 S166 A191 A195 S198 T203 L207 | L159-A163 WeakPolarHBondContact O-CB 3.37Å; L159-A163 PolarHBondContact O-N 2.97Å; L160-A163 PolarHBondContact O-N 3.06Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.05Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.88Å; A163-S166 PolarHBondContact O-N 3.25Å; A163-A191 HydrophobicContact CB-CB 3.97Å; A163-A191 WeakPolarHBondContact CB-O 3.41Å; A163-A195 HydrophobicContact CB-CB 4.41Å; A163-S198 PolarHBondContact O-OG 3.44Å; A163-T203 HydrophobicContact CB-CG2 4.28Å; A163-L207 HydrophobicContact CB-CD1 4.07Å |
| 164 | Q | 90.6 | Very high | 90.4 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 45% | 0.453 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.6 | -34.7 | 176.4 | -171.9 | -178.7 | 8.8 | 0 | 0 | 112.6 | L160 L161 S166 L194 | L160-Q164 WeakPolarHBondContact O-CB 3.35Å; L160-Q164 PolarHBondContact O-N 3.08Å; L161-Q164 PolarHBondContact O-N 3.3Å; Q164-S166 VanDerWaalsContact C-N 3.3Å; Q164-L194 HydrophobicContact CB-CB 4.37Å; Q164-L194 HydrophobicContact CB-CD1 4.46Å |
| 165 | L | 87.8 | Confident | 90.5 | Very high | 81 Ų | 81 | 30.1 Ų | 30.1 | 42% | 0.424 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 6.6 | 177.9 | -63.7 | 174.9 | 0 | 0 | 0 | 113.2 | R128 L161 A162 A163 R167 | R128-L165 HydrophobicContact CG-CD1 4.13Å; L161-L165 WeakPolarHBondContact O-CB 3.35Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.26Å; A162-L165 PolarHBondContact O-N 3.08Å; A163-L165 VanDerWaalsContact C-N 3.31Å; A163-L165 PolarHBondContact O-N 2.88Å; L165-R167 HydrophobicContact CB-CG 3.92Å; L165-R167 PolarHBondContact O-N 3.36Å |
| 166 | S | 89.1 | Confident | 90.5 | Very high | 45 Ų | 45 | 33.3 Ų | 33.3 | 32% | 0.315 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.1 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 114 | A162 A163 Q164 V168 S198 | A162-S166 PolarHBondContact O-N 3.22Å; A163-S166 PolarHBondContact O-N 3.25Å; Q164-S166 VanDerWaalsContact C-N 3.3Å; S166-V168 PolarHBondContact O-N 3.43Å; S166-S198 WeakPolarHBondContact OG-CB 3.44Å; S166-S198 PolarHBondContact OG-OG 2.97Å |
| 167 | R | 87.3 | Confident | 90.5 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | trans | -89 | 77.5 | -179.6 | -61.9 | -60.6 | -170.7 | 157.2 | 7.5 | 110.7 | A130 A162 L165 E169 L170 C171 | A130-R167 PolarHBondContact O-NH1 3.36Å; A130-R167 PolarHBondContact O-NH2 2.89Å; A130-R167 VanDerWaalsContact O-NH2 3.1Å; A162-R167 PolarHBondContact O-N 3.46Å; L165-R167 HydrophobicContact CB-CG 3.92Å; L165-R167 PolarHBondContact O-N 3.36Å; R167-E169 VanDerWaalsContact C-N 3.35Å; R167-E169 PolarHBondContact O-N 3.31Å; R167-L170 HydrophobicContact CB-CB 4Å; R167-L170 PolarHBondContact O-N 3.03Å; R167-L170 VanDerWaalsContact O-N 3.15Å; R167-C171 PolarHBondContact O-N 3.42Å; R167-C171 PolarHBondContact O-SG 3.44Å | ||
| 168 | V | 88.9 | Confident | 90.2 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -50.3 | -49.9 | -175.2 | -173.6 | 0 | 0 | 0 | 0 | 112.7 | S166 L170 C171 V172 E202 T203 A206 | S166-V168 PolarHBondContact O-N 3.43Å; V168-L170 VanDerWaalsContact C-N 3.33Å; V168-L170 PolarHBondContact O-N 3.35Å; V168-C171 WeakPolarHBondContact O-CB 3.3Å; V168-C171 PolarHBondContact O-N 2.99Å; V168-V172 HydrophobicContact CG1-CG2 4.38Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 2.72Å; V168-E202 HydrophobicContact CB-CB 4.48Å; V168-E202 HydrophobicContact CG1-CB 3.99Å; V168-E202 HydrophobicContact CG2-CB 3.62Å; V168-T203 WeakPolarHBondContact CG2-OG1 3.14Å; V168-A206 HydrophobicContact CG1-CB 4.48Å |
| 169 | E | 88.8 | Confident | 90.2 | Very high | 110 Ų | 110 | 40.5 Ų | 40.5 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.3 | -38.3 | -176.3 | -64.7 | 178.8 | 177.8 | 0 | 0 | 112.3 | G133 L135 R167 V172 F173 | G133-E169 WeakPolarHBondContact CA-OE2 3.47Å; L135-E169 HydrophobicContact CD1-CB 4.24Å; R167-E169 VanDerWaalsContact C-N 3.35Å; R167-E169 PolarHBondContact O-N 3.31Å; E169-V172 PolarHBondContact O-N 2.69Å; E169-F173 VanDerWaalsContact O-CB 3.31Å; E169-F173 WeakPolarHBondContact O-CB 3.25Å; E169-F173 PolarHBondContact O-N 3.35Å |
| 170 | L | 87.6 | Confident | 90.2 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 175.3 | -177.5 | 59.7 | 0 | 0 | 0 | 111 | L135 T138 A162 R167 V168 F173 L174 | L135-L170 HydrophobicContact CD2-CB 3.92Å; L135-L170 HydrophobicContact CD2-CD1 3.78Å; L135-L170 HydrophobicContact CD2-CG 4.47Å; T138-L170 HydrophobicContact CG2-CD1 3.46Å; T138-L170 VanDerWaalsContact CG2-CD1 3.46Å; A162-L170 HydrophobicContact CB-CB 4.24Å; A162-L170 HydrophobicContact CB-CD2 3.66Å; A162-L170 HydrophobicContact CB-CG 3.83Å; R167-L170 HydrophobicContact CB-CB 4Å; R167-L170 PolarHBondContact O-N 3.03Å; R167-L170 VanDerWaalsContact O-N 3.15Å; V168-L170 VanDerWaalsContact C-N 3.33Å; V168-L170 PolarHBondContact O-N 3.35Å; L170-F173 PolarHBondContact O-N 3.06Å; L170-L174 HydrophobicContact CD1-CD1 4.11Å; L170-L174 HydrophobicContact CD1-CG 4.12Å; L170-L174 HydrophobicContact CG-CD1 3.96Å; L170-L174 HydrophobicContact CG-CG 4.4Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 WeakPolarHBondContact O-CG 3.41Å; L170-L174 PolarHBondContact O-N 3.28Å |
| 171 | C | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 173.5 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | L159 A162 R167 V168 F173 L174 L175 | L159-C171 HydrophobicContact CD1-CB 4.13Å; A162-C171 VanDerWaalsContact CB-SG 3.57Å; R167-C171 PolarHBondContact O-N 3.42Å; R167-C171 PolarHBondContact O-SG 3.44Å; V168-C171 WeakPolarHBondContact O-CB 3.3Å; V168-C171 PolarHBondContact O-N 2.99Å; C171-F173 VanDerWaalsContact C-N 3.33Å; C171-F173 PolarHBondContact O-N 2.99Å; C171-L174 PolarHBondContact O-N 2.95Å; C171-L175 VanDerWaalsContact O-CB 3.29Å; C171-L175 WeakPolarHBondContact O-CB 3.45Å; C171-L175 VanDerWaalsContact O-CD1 3.31Å; C171-L175 WeakPolarHBondContact O-CD1 3.5Å; C171-L175 WeakPolarHBondContact O-CG 3.45Å; C171-L175 PolarHBondContact O-N 3.32Å |
| 172 | V | 91.8 | Very high | 90.2 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | V168 E169 G176 A206 | V168-V172 HydrophobicContact CG1-CG2 4.38Å; V168-V172 WeakPolarHBondContact O-CG2 3.36Å; V168-V172 PolarHBondContact O-N 2.72Å; E169-V172 PolarHBondContact O-N 2.69Å; V172-G176 PolarHBondContact O-N 3.44Å; V172-A206 HydrophobicContact CG2-CB 3.64Å |
| 173 | F | 90.8 | Very high | 90.3 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 10% | 0.101 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -52.7 | 177.6 | -178.9 | -91.2 | 0 | 0 | 0 | 111.9 | L135 T138 E139 W142 E169 L170 C171 L175 G176 R177 | L135-F173 HydrophobicContact CD1-CB 3.86Å; L135-F173 HydrophobicContact CD1-CD2 4.15Å; L135-F173 HydrophobicContact CD1-CG 4.19Å; T138-F173 HydrophobicContact CG2-CD1 3.71Å; T138-F173 HydrophobicContact CG2-CE1 3.68Å; E139-F173 HydrophobicContact CB-CZ 4.39Å; E139-F173 HydrophobicContact CG-CD2 4.39Å; E139-F173 HydrophobicContact CG-CE2 3.52Å; E139-F173 HydrophobicContact CG-CZ 3.73Å; W142-F173 HydrophobicContact CB-CE1 4.27Å; W142-F173 HydrophobicContact CB-CZ 4.25Å; W142-F173 HydrophobicContact CG-CZ 4.48Å; E169-F173 VanDerWaalsContact O-CB 3.31Å; E169-F173 WeakPolarHBondContact O-CB 3.25Å; E169-F173 PolarHBondContact O-N 3.35Å; L170-F173 PolarHBondContact O-N 3.06Å; C171-F173 VanDerWaalsContact C-N 3.33Å; C171-F173 PolarHBondContact O-N 2.99Å; F173-L175 PolarHBondContact O-N 3.33Å; F173-G176 PolarHBondContact O-N 3.03Å; F173-R177 HydrophobicContact CD1-CG 4.47Å; F173-R177 HydrophobicContact CE1-CG 4.11Å; F173-R177 HydrophobicContact CE2-CG 4.49Å; F173-R177 HydrophobicContact CZ-CG 4.11Å; F173-R177 WeakPolarHBondContact O-CG 3.45Å; F173-R177 PolarHBondContact O-N 3.17Å; F173-R177 VanDerWaalsContact O-N 3.07Å |
| 174 | L | 91.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | -179.1 | -69.2 | 172.2 | 0 | 0 | 0 | 111.6 | L148 P158 L159 A162 L170 C171 R177 G178 A179 | L148-L174 HydrophobicContact CD1-CD2 4.44Å; L148-L174 HydrophobicContact CD2-CD2 3.63Å; L148-L174 HydrophobicContact CG-CD2 4.44Å; P158-L174 HydrophobicContact CB-CD1 4.28Å; L159-L174 HydrophobicContact CB-CD1 4.16Å; L159-L174 HydrophobicContact CD1-CB 4.16Å; L159-L174 HydrophobicContact CD1-CD1 4.25Å; A162-L174 HydrophobicContact CB-CD1 4.39Å; L170-L174 HydrophobicContact CD1-CD1 4.11Å; L170-L174 HydrophobicContact CD1-CG 4.12Å; L170-L174 HydrophobicContact CG-CD1 3.96Å; L170-L174 HydrophobicContact CG-CG 4.4Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 WeakPolarHBondContact O-CG 3.41Å; L170-L174 PolarHBondContact O-N 3.28Å; C171-L174 PolarHBondContact O-N 2.95Å; L174-R177 PolarHBondContact O-N 3.46Å; L174-G178 PolarHBondContact O-N 3.46Å; L174-A179 HydrophobicContact CB-CB 3.95Å; L174-A179 WeakPolarHBondContact O-CB 3.42Å; L174-A179 PolarHBondContact O-N 3.38Å |
| 175 | L | 92 | Very high | 90.5 | Very high | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.12 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.8 | -68.6 | 166.1 | 0 | 0 | 0 | 111.9 | L159 C171 F173 R177 G178 A181 A206 L207 | L159-L175 HydrophobicContact CD1-CD2 4.41Å; L159-L175 HydrophobicContact CD1-CG 4.13Å; L159-L175 HydrophobicContact CD2-CD2 3.76Å; L159-L175 HydrophobicContact CD2-CG 4.36Å; C171-L175 VanDerWaalsContact O-CB 3.29Å; C171-L175 WeakPolarHBondContact O-CB 3.45Å; C171-L175 VanDerWaalsContact O-CD1 3.31Å; C171-L175 WeakPolarHBondContact O-CD1 3.5Å; C171-L175 WeakPolarHBondContact O-CG 3.45Å; C171-L175 PolarHBondContact O-N 3.32Å; F173-L175 PolarHBondContact O-N 3.33Å; L175-R177 PolarHBondContact O-N 3.09Å; L175-G178 PolarHBondContact O-N 3.34Å; L175-G178 VanDerWaalsContact O-N 3.07Å; L175-A181 HydrophobicContact CD2-CB 3.59Å; L175-A206 WeakPolarHBondContact CD1-O 3.48Å; L175-L207 HydrophobicContact CD1-CD2 4.06Å |
| 176 | G | 90.2 | Very high | 90.7 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.3 | -24.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V172 F173 | V172-G176 PolarHBondContact O-N 3.44Å; F173-G176 PolarHBondContact O-N 3.03Å |
| 177 | R | 90.9 | Very high | 90.8 | Very high | 95 Ų | 95 | 47.6 Ų | 47.6 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 4.4 | 175.1 | -60 | -64.7 | 176 | 115 | 1 | 113.4 | W142 L148 F173 L174 L175 | W142-R177 HydrophobicContact CD2-CB 4.18Å; W142-R177 HydrophobicContact CD2-CG 4.18Å; W142-R177 HydrophobicContact CE3-CB 4.19Å; W142-R177 HydrophobicContact CH2-CB 3.88Å; W142-R177 WeakPolarHBondContact CH2-O 3.49Å; W142-R177 HydrophobicContact CZ2-CB 3.93Å; W142-R177 HydrophobicContact CZ2-CG 4.33Å; W142-R177 HydrophobicContact CZ3-CB 4.06Å; L148-R177 HydrophobicContact CD1-CB 3.77Å; F173-R177 HydrophobicContact CD1-CG 4.47Å; F173-R177 HydrophobicContact CE1-CG 4.11Å; F173-R177 HydrophobicContact CE2-CG 4.49Å; F173-R177 HydrophobicContact CZ-CG 4.11Å; F173-R177 WeakPolarHBondContact O-CG 3.45Å; F173-R177 PolarHBondContact O-N 3.17Å; F173-R177 VanDerWaalsContact O-N 3.07Å; L174-R177 PolarHBondContact O-N 3.46Å; L175-R177 PolarHBondContact O-N 3.09Å |
| 178 | G | 87.8 | Confident | 91 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 62% | 0.619 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | 18.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L174 L175 | L174-G178 PolarHBondContact O-N 3.46Å; L175-G178 PolarHBondContact O-N 3.34Å; L175-G178 VanDerWaalsContact O-N 3.07Å |
| 179 | A | 91.9 | Very high | 91.1 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | trans | -59.4 | 142.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L148 L159 L174 A181 | L148-A179 HydrophobicContact CB-CB 4.01Å; L148-A179 HydrophobicContact CD1-CB 4.05Å; L159-A179 HydrophobicContact CD2-CB 4.28Å; L174-A179 HydrophobicContact CB-CB 3.95Å; L174-A179 WeakPolarHBondContact O-CB 3.42Å; L174-A179 PolarHBondContact O-N 3.38Å; A179-A181 PolarHBondContact O-N 3.46Å; A179-A181 VanDerWaalsContact O-N 3.12Å | ||
| 180 | N | 91.4 | Very high | 91.4 | Very high | 73 Ų | 73 | 39 Ų | 39 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | trans | -77.3 | 104 | -177.6 | -176.7 | 2.6 | 0 | 0 | 0 | 111.5 | D149 N182 T183 | D149-N180 PolarHBondContact OD1-N 3.4Å; D149-N180 PolarHBondContact OD2-N 3.14Å; N180-N182 PolarHBondContact O-N 2.99Å; N180-N182 PolarHBondContact OD1-N 3.36Å; N180-T183 WeakPolarHBondContact CB-OG1 3.3Å; N180-T183 PolarHBondContact ND2-OG1 3.04Å; N180-T183 PolarHBondContact O-N 3.38Å; N180-T183 PolarHBondContact O-OG1 3.34Å | ||
| 181 | A | 91.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | L175 A179 A212 | L175-A181 HydrophobicContact CD2-CB 3.59Å; A179-A181 PolarHBondContact O-N 3.46Å; A179-A181 VanDerWaalsContact O-N 3.12Å; A181-A212 HydrophobicContact CB-CB 4.12Å |
| 182 | N | 92.6 | Very high | 91.8 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 5 | -171.3 | -64.2 | -62.1 | 0 | 0 | 0 | 113.9 | N180 G211 R213 L216 | N180-N182 PolarHBondContact O-N 2.99Å; N180-N182 PolarHBondContact OD1-N 3.36Å; N182-G211 PolarHBondContact ND2-O 2.94Å; N182-G211 VanDerWaalsContact ND2-O 3.12Å; N182-R213 VanDerWaalsContact OD1-CB 3.27Å; N182-R213 WeakPolarHBondContact OD1-CB 3.48Å; N182-R213 VanDerWaalsContact OD1-CG 3.27Å; N182-R213 WeakPolarHBondContact OD1-CG 3.49Å; N182-R213 PolarHBondContact OD1-N 3.45Å; N182-L216 HydrophobicContact CB-CD1 4.15Å |
| 183 | T | 92.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 14% | 0.135 | 20% | 0.204 | C | C | . | . | trans | -64.7 | 145.1 | 174.3 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | T157 N180 | T157-T183 HydrophobicContact CG2-CG2 3.67Å; N180-T183 WeakPolarHBondContact CB-OG1 3.3Å; N180-T183 PolarHBondContact ND2-OG1 3.04Å; N180-T183 PolarHBondContact O-N 3.38Å; N180-T183 PolarHBondContact O-OG1 3.34Å | ||
| 184 | Q | 92.3 | Very high | 91.9 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 28% | 0.28 | 20% | 0.2 | S | C | . | . | B | Isolated β-bridge | trans | -117.8 | 144.2 | -179.7 | -67.8 | 175.9 | -66.4 | 0 | 0 | 110.8 | R151 G188 R189 V217 | R151-Q184 PolarHBondContact NH2-O 3.34Å; R151-Q184 VanDerWaalsContact NH2-O 3.08Å; Q184-G188 PolarHBondContact NE2-O 3.06Å; Q184-R189 VanDerWaalsContact CA-O 3.28Å; Q184-R189 WeakPolarHBondContact CA-O 3.46Å; Q184-V217 PolarHBondContact NE2-O 2.99Å |
| 185 | D | 93 | Very high | 92 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | trans | -70.9 | -178.9 | 171.7 | 73.8 | 1.1 | 0 | 0 | 0 | 111.6 | G155 L160 Q187 G188 R189 | G155-D185 WeakPolarHBondContact O-CA 3.49Å; L160-D185 HydrophobicContact CD2-CB 3.76Å; D185-Q187 PolarHBondContact O-N 3.1Å; D185-Q187 VanDerWaalsContact O-N 3.14Å; D185-Q187 VanDerWaalsContact OD1-CA 3.31Å; D185-Q187 WeakPolarHBondContact OD1-CA 3.4Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.33Å; D185-Q187 PolarHBondContact OD1-N 2.98Å; D185-G188 PolarHBondContact O-N 3.48Å; D185-G188 PolarHBondContact OD1-N 3.5Å; D185-R189 PolarHBondContact N-O 3.21Å; D185-R189 WeakPolarHBondContact OD1-CB 3.29Å; D185-R189 PolarHBondContact OD1-N 2.95Å; D185-R189 IonicContact OD1-NE 3.69Å; D185-R189 IonicContact OD2-CZ 3.91Å; D185-R189 VanDerWaalsContact OD2-CZ 3.26Å; D185-R189 IonicContact OD2-NE 3Å; D185-R189 PolarHBondContact OD2-NE 3.02Å; D185-R189 IonicContact OD2-NH2 3.68Å; D185-R189 PolarHBondContact OD2-NH2 3.35Å | ||
| 186 | N | 92.4 | Very high | 92 | Very high | 80 Ų | 80 | 32.5 Ų | 32.5 | 43% | 0.428 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.5 | 178.6 | -69.3 | -14.2 | 0 | 0 | 0 | 113.9 | R151 D153 D154 G155 Q219 | R151-N186 PolarHBondContact NH2-OD1 3.43Å; D153-N186 PolarHBondContact O-ND2 2.91Å; D154-N186 VanDerWaalsContact C-CG 3.44Å; D154-N186 VanDerWaalsContact O-CB 3.24Å; D154-N186 WeakPolarHBondContact O-CB 3.45Å; D154-N186 PolarHBondContact O-N 2.91Å; D154-N186 PolarHBondContact O-ND2 3.38Å; G155-N186 WeakPolarHBondContact CA-OD1 3.48Å; G155-N186 PolarHBondContact N-ND2 3.34Å; N186-Q219 PolarHBondContact O-NE2 3.33Å |
| 187 | Q | 90.9 | Very high | 92 | Very high | 101 Ų | 101 | 33.6 Ų | 33.6 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 1.5 | 172.8 | -58.6 | -179.4 | 9.1 | 0 | 0 | 111.9 | D185 R189 Q219 | D185-Q187 PolarHBondContact O-N 3.1Å; D185-Q187 VanDerWaalsContact O-N 3.14Å; D185-Q187 VanDerWaalsContact OD1-CA 3.31Å; D185-Q187 WeakPolarHBondContact OD1-CA 3.4Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.33Å; D185-Q187 PolarHBondContact OD1-N 2.98Å; Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 HydrophobicContact CB-CG 4.2Å; Q187-Q219 WeakPolarHBondContact O-CB 3.5Å; Q187-Q219 VanDerWaalsContact O-CG 3.3Å; Q187-Q219 WeakPolarHBondContact O-CG 3.42Å; Q187-Q219 PolarHBondContact O-N 3.07Å |
| 188 | G | 91.2 | Very high | 91.8 | Very high | 11 Ų | 11 | 31 Ų | 31 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 78.5 | 9.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q184 D185 D218 | Q184-G188 PolarHBondContact NE2-O 3.06Å; D185-G188 PolarHBondContact O-N 3.48Å; D185-G188 PolarHBondContact OD1-N 3.5Å; G188-D218 WeakPolarHBondContact O-CA 3.36Å |
| 189 | R | 92.3 | Very high | 91.9 | Very high | 43 Ų | 43 | 33 Ų | 33 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | trans | -81.2 | 130.8 | -179.9 | -59.2 | 178.2 | -61.2 | -175.4 | -4.6 | 110.5 | L160 Q184 D185 Q187 M193 L194 D218 | L160-R189 WeakPolarHBondContact CD2-O 3.34Å; Q184-R189 VanDerWaalsContact CA-O 3.28Å; Q184-R189 WeakPolarHBondContact CA-O 3.46Å; D185-R189 PolarHBondContact N-O 3.21Å; D185-R189 WeakPolarHBondContact OD1-CB 3.29Å; D185-R189 PolarHBondContact OD1-N 2.95Å; D185-R189 IonicContact OD1-NE 3.69Å; D185-R189 IonicContact OD2-CZ 3.91Å; D185-R189 VanDerWaalsContact OD2-CZ 3.26Å; D185-R189 IonicContact OD2-NE 3Å; D185-R189 PolarHBondContact OD2-NE 3.02Å; D185-R189 IonicContact OD2-NH2 3.68Å; D185-R189 PolarHBondContact OD2-NH2 3.35Å; Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 HydrophobicContact CB-CG 4.2Å; R189-M193 HydrophobicContact CB-SD 4.34Å; R189-L194 HydrophobicContact CB-CD2 4.24Å; R189-L194 HydrophobicContact CB-CG 4.41Å; R189-D218 HydrophobicContact CG-CB 4.1Å | ||
| 190 | S | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -89.6 | 163.7 | 173.7 | 72.1 | 0 | 0 | 0 | 0 | 111.5 | L192 M193 L194 | S190-L192 PolarHBondContact O-N 3.19Å; S190-L192 VanDerWaalsContact O-N 3.15Å; S190-M193 PolarHBondContact N-SD 2.64Å; S190-M193 VanDerWaalsContact N-SD 3.39Å; S190-M193 WeakPolarHBondContact O-CB 3.43Å; S190-M193 PolarHBondContact O-N 3.07Å; S190-M193 PolarHBondContact OG-N 3.05Å; S190-L194 PolarHBondContact O-N 3.44Å; S190-L194 VanDerWaalsContact O-N 3.1Å |
| 191 | A | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.5 | -34 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L159 L160 A163 L194 A195 L207 | L159-A191 HydrophobicContact CG-CB 4.23Å; L160-A191 HydrophobicContact CD1-CB 4.26Å; L160-A191 HydrophobicContact CG-CB 4.29Å; A163-A191 HydrophobicContact CB-CB 3.97Å; A163-A191 WeakPolarHBondContact CB-O 3.41Å; A191-L194 PolarHBondContact O-N 3.11Å; A191-A195 WeakPolarHBondContact O-CB 3.27Å; A191-A195 PolarHBondContact O-N 3.23Å; A191-L207 HydrophobicContact CB-CD1 4.21Å; A191-L207 HydrophobicContact CB-CD2 3.73Å; A191-L207 WeakPolarHBondContact O-CD1 3.45Å |
| 192 | L | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 176.4 | -172.3 | 66.9 | 0 | 0 | 0 | 112.5 | S190 A195 C196 V204 L207 L208 A212 T214 A224 L240 | S190-L192 PolarHBondContact O-N 3.19Å; S190-L192 VanDerWaalsContact O-N 3.15Å; L192-A195 PolarHBondContact O-N 3.37Å; L192-C196 PolarHBondContact O-N 2.94Å; L192-C196 PolarHBondContact O-SG 3.16Å; L192-V204 HydrophobicContact CD1-CG1 3.98Å; L192-L207 HydrophobicContact CD1-CB 4.12Å; L192-L208 HydrophobicContact CD1-CD2 4Å; L192-L208 HydrophobicContact CD1-CG 3.98Å; L192-L208 HydrophobicContact CD2-CD2 3.89Å; L192-A212 HydrophobicContact CB-CB 4.15Å; L192-A212 HydrophobicContact CD2-CB 4.28Å; L192-T214 HydrophobicContact CD2-CG2 4.02Å; L192-A224 HydrophobicContact CB-CB 4.47Å; L192-A224 HydrophobicContact CD2-CB 3.8Å; L192-A224 HydrophobicContact CG-CB 3.82Å; L192-L240 HydrophobicContact CD1-CD2 4.24Å; L192-L240 HydrophobicContact CD2-CD2 3.91Å; L192-L240 HydrophobicContact CG-CD2 4.28Å |
| 193 | M | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.6 | -66.2 | 165.8 | -177.2 | 0 | 0 | 110.9 | R189 S190 A195 C196 E197 L216 D218 H222 A224 Y227 | R189-M193 HydrophobicContact CB-SD 4.34Å; S190-M193 PolarHBondContact N-SD 2.64Å; S190-M193 VanDerWaalsContact N-SD 3.39Å; S190-M193 WeakPolarHBondContact O-CB 3.43Å; S190-M193 PolarHBondContact O-N 3.07Å; S190-M193 PolarHBondContact OG-N 3.05Å; M193-A195 VanDerWaalsContact C-N 3.31Å; M193-A195 PolarHBondContact O-N 3.03Å; M193-C196 WeakPolarHBondContact O-CB 3.45Å; M193-C196 PolarHBondContact O-N 3.49Å; M193-C196 VanDerWaalsContact O-N 3.11Å; M193-E197 PolarHBondContact O-N 2.99Å; M193-L216 HydrophobicContact CE-CB 3.95Å; M193-L216 WeakPolarHBondContact CE-O 3.5Å; M193-D218 HydrophobicContact SD-CB 4.2Å; M193-H222 WeakPolarHBondContact CE-O 3.44Å; M193-A224 HydrophobicContact CG-CB 4.1Å; M193-Y227 HydrophobicContact CB-CD2 3.98Å; M193-Y227 HydrophobicContact CB-CE2 4.01Å; M193-Y227 HydrophobicContact CG-CD2 4.08Å; M193-Y227 HydrophobicContact CG-CE2 4.09Å; M193-Y227 HydrophobicContact SD-CE2 4.28Å |
| 194 | L | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -35.1 | 177.4 | -61.9 | 173.6 | 0 | 0 | 0 | 112.4 | L160 Q164 R189 S190 A191 E197 S198 | L160-L194 HydrophobicContact CB-CD1 3.86Å; L160-L194 HydrophobicContact CD2-CD1 4.1Å; L160-L194 HydrophobicContact CG-CD1 4Å; Q164-L194 HydrophobicContact CB-CB 4.37Å; Q164-L194 HydrophobicContact CB-CD1 4.46Å; R189-L194 HydrophobicContact CB-CD2 4.24Å; R189-L194 HydrophobicContact CB-CG 4.41Å; S190-L194 PolarHBondContact O-N 3.44Å; S190-L194 VanDerWaalsContact O-N 3.1Å; A191-L194 PolarHBondContact O-N 3.11Å; L194-E197 PolarHBondContact O-N 3.3Å; L194-S198 WeakPolarHBondContact O-CB 3.39Å; L194-S198 PolarHBondContact O-N 3.02Å; L194-S198 PolarHBondContact O-OG 2.99Å |
| 195 | A | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69 | -32.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A163 A191 L192 M193 S198 E199 S200 T203 V204 L207 | A163-A195 HydrophobicContact CB-CB 4.41Å; A191-A195 WeakPolarHBondContact O-CB 3.27Å; A191-A195 PolarHBondContact O-N 3.23Å; L192-A195 PolarHBondContact O-N 3.37Å; M193-A195 VanDerWaalsContact C-N 3.31Å; M193-A195 PolarHBondContact O-N 3.03Å; A195-S198 WeakPolarHBondContact CA-OG 3.45Å; A195-S198 PolarHBondContact O-OG 3Å; A195-E199 PolarHBondContact O-N 3.33Å; A195-S200 PolarHBondContact O-N 3Å; A195-T203 HydrophobicContact CB-CG2 3.84Å; A195-V204 HydrophobicContact CB-CG2 3.74Å; A195-L207 HydrophobicContact CB-CD1 3.53Å |
| 196 | C | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.9 | -35.6 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | L192 M193 E199 A228 I236 | L192-C196 PolarHBondContact O-N 2.94Å; L192-C196 PolarHBondContact O-SG 3.16Å; M193-C196 WeakPolarHBondContact O-CB 3.45Å; M193-C196 PolarHBondContact O-N 3.49Å; M193-C196 VanDerWaalsContact O-N 3.11Å; C196-E199 PolarHBondContact O-N 2.62Å; C196-A228 HydrophobicContact CB-CB 4.31Å; C196-I236 HydrophobicContact CB-CG2 4.38Å |
| 197 | E | 90.4 | Very high | 91.5 | Very high | 91 Ų | 91 | 28.1 Ų | 28.1 | 43% | 0.425 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.2 | -36.5 | 173.9 | -174.4 | 177.5 | -167.6 | 0 | 0 | 112.1 | M193 L194 E199 Y227 | M193-E197 PolarHBondContact O-N 2.99Å; L194-E197 PolarHBondContact O-N 3.3Å; E197-E199 VanDerWaalsContact C-N 3.28Å; E197-E199 PolarHBondContact O-N 3.44Å; E197-Y227 HydrophobicContact CB-CD1 4.13Å |
| 198 | S | 87.3 | Confident | 91.5 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 27% | 0.273 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 3.8 | 176.7 | 58 | 0 | 0 | 0 | 0 | 114.5 | A163 S166 L194 A195 S200 | A163-S198 PolarHBondContact O-OG 3.44Å; S166-S198 WeakPolarHBondContact OG-CB 3.44Å; S166-S198 PolarHBondContact OG-OG 2.97Å; L194-S198 WeakPolarHBondContact O-CB 3.39Å; L194-S198 PolarHBondContact O-N 3.02Å; L194-S198 PolarHBondContact O-OG 2.99Å; A195-S198 WeakPolarHBondContact CA-OG 3.45Å; A195-S198 PolarHBondContact O-OG 3Å; S198-S200 PolarHBondContact O-N 3.5Å; S198-S200 VanDerWaalsContact O-N 3.1Å |
| 199 | E | 89.6 | Confident | 91.4 | Very high | 103 Ų | 103 | 32.2 Ų | 32.2 | 48% | 0.481 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 18.5 | 175.4 | -60 | 177.9 | -158.7 | 0 | 0 | 115.8 | A195 C196 E197 V201 T231 N233 | A195-E199 PolarHBondContact O-N 3.33Å; C196-E199 PolarHBondContact O-N 2.62Å; E197-E199 VanDerWaalsContact C-N 3.28Å; E197-E199 PolarHBondContact O-N 3.44Å; E199-V201 PolarHBondContact O-N 2.99Å; E199-T231 HydrophobicContact CG-CG2 3.85Å; E199-N233 PolarHBondContact O-ND2 3.39Å |
| 200 | S | 89.3 | Confident | 91.1 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 8% | 0.077 | 17% | 0.166 | C | C | . | . | trans | -87.1 | 101.7 | -178.4 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | A195 S198 E202 T203 V204 | A195-S200 PolarHBondContact O-N 3Å; S198-S200 PolarHBondContact O-N 3.5Å; S198-S200 VanDerWaalsContact O-N 3.1Å; S200-E202 VanDerWaalsContact C-N 3.31Å; S200-E202 PolarHBondContact O-N 3.01Å; S200-T203 WeakPolarHBondContact CB-OG1 3.41Å; S200-T203 PolarHBondContact O-N 3.41Å; S200-T203 WeakPolarHBondContact OG-CB 3.47Å; S200-T203 PolarHBondContact OG-N 3.4Å; S200-T203 PolarHBondContact OG-OG1 2.95Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.33Å | ||
| 201 | V | 90.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 34 Ų | 34 | 24% | 0.236 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 179 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | E199 V204 A205 C235 I236 M239 | E199-V201 PolarHBondContact O-N 2.99Å; V201-V204 PolarHBondContact O-N 3.34Å; V201-A205 WeakPolarHBondContact O-CB 3.48Å; V201-A205 PolarHBondContact O-N 2.82Å; V201-C235 HydrophobicContact CG2-CB 4.39Å; V201-I236 HydrophobicContact CG2-CD1 4.33Å; V201-I236 HydrophobicContact CG2-CG1 3.94Å; V201-M239 HydrophobicContact CG1-CE 4.4Å; V201-M239 HydrophobicContact CG1-SD 3.53Å; V201-M239 VanDerWaalsContact CG1-SD 3.53Å |
| 202 | E | 90.6 | Very high | 90.7 | Very high | 119 Ų | 119 | 34.5 Ų | 34.5 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -68.4 | -39.4 | -179.1 | -61 | 75.3 | -162.9 | 0 | 0 | 111.6 | V168 S200 A205 A206 | V168-E202 HydrophobicContact CB-CB 4.48Å; V168-E202 HydrophobicContact CG1-CB 3.99Å; V168-E202 HydrophobicContact CG2-CB 3.62Å; S200-E202 VanDerWaalsContact C-N 3.31Å; S200-E202 PolarHBondContact O-N 3.01Å; E202-A205 WeakPolarHBondContact O-CB 3.4Å; E202-A205 PolarHBondContact O-N 2.96Å; E202-A206 WeakPolarHBondContact O-CB 3.26Å; E202-A206 PolarHBondContact O-N 3.36Å |
| 203 | T | 90.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.9 | -42.2 | 176.7 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | A163 V168 A195 S200 A205 A206 L207 | A163-T203 HydrophobicContact CB-CG2 4.28Å; V168-T203 WeakPolarHBondContact CG2-OG1 3.14Å; A195-T203 HydrophobicContact CB-CG2 3.84Å; S200-T203 WeakPolarHBondContact CB-OG1 3.41Å; S200-T203 PolarHBondContact O-N 3.41Å; S200-T203 WeakPolarHBondContact OG-CB 3.47Å; S200-T203 PolarHBondContact OG-N 3.4Å; S200-T203 PolarHBondContact OG-OG1 2.95Å; T203-A205 VanDerWaalsContact C-N 3.34Å; T203-A205 PolarHBondContact O-N 3.29Å; T203-A206 PolarHBondContact O-N 2.77Å; T203-L207 HydrophobicContact CG2-CD1 3.94Å; T203-L207 WeakPolarHBondContact O-CB 3.44Å; T203-L207 WeakPolarHBondContact O-CG 3.42Å; T203-L207 PolarHBondContact O-N 3.25Å |
| 204 | V | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 172.3 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L192 A195 S200 V201 A206 L207 L208 I236 M239 L240 | L192-V204 HydrophobicContact CD1-CG1 3.98Å; A195-V204 HydrophobicContact CB-CG2 3.74Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.33Å; V201-V204 PolarHBondContact O-N 3.34Å; V204-A206 VanDerWaalsContact C-N 3.35Å; V204-A206 PolarHBondContact O-N 2.85Å; V204-L207 PolarHBondContact O-N 3.02Å; V204-L208 HydrophobicContact CG1-CD1 3.8Å; V204-L208 HydrophobicContact CG1-CG 4.29Å; V204-L208 WeakPolarHBondContact O-CB 3.48Å; V204-L208 VanDerWaalsContact O-CG 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.48Å; V204-L208 PolarHBondContact O-N 2.97Å; V204-I236 HydrophobicContact CG1-CG2 4.2Å; V204-I236 HydrophobicContact CG2-CD1 4.23Å; V204-I236 HydrophobicContact CG2-CG1 4.49Å; V204-I236 HydrophobicContact CG2-CG2 4.11Å; V204-M239 HydrophobicContact CB-CE 4.48Å; V204-M239 HydrophobicContact CG1-CE 4.06Å; V204-L240 HydrophobicContact CG1-CD2 4.45Å |
| 205 | A | 91.2 | Very high | 90 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V201 E202 T203 R209 M239 | V201-A205 WeakPolarHBondContact O-CB 3.48Å; V201-A205 PolarHBondContact O-N 2.82Å; E202-A205 WeakPolarHBondContact O-CB 3.4Å; E202-A205 PolarHBondContact O-N 2.96Å; T203-A205 VanDerWaalsContact C-N 3.34Å; T203-A205 PolarHBondContact O-N 3.29Å; A205-R209 WeakPolarHBondContact O-CB 3.25Å; A205-R209 VanDerWaalsContact O-CG 3.29Å; A205-R209 WeakPolarHBondContact O-CG 3.36Å; A205-R209 PolarHBondContact O-N 2.98Å; A205-M239 VanDerWaalsContact CA-CE 3.46Å; A205-M239 HydrophobicContact CB-CE 3.48Å; A205-M239 VanDerWaalsContact CB-CE 3.48Å |
| 206 | A | 91.5 | Very high | 89.9 | Confident | 13 Ų | 13 | 52 Ų | 52 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V168 V172 L175 E202 T203 V204 R209 G210 | V168-A206 HydrophobicContact CG1-CB 4.48Å; V172-A206 HydrophobicContact CG2-CB 3.64Å; L175-A206 WeakPolarHBondContact CD1-O 3.48Å; E202-A206 WeakPolarHBondContact O-CB 3.26Å; E202-A206 PolarHBondContact O-N 3.36Å; T203-A206 PolarHBondContact O-N 2.77Å; V204-A206 VanDerWaalsContact C-N 3.35Å; V204-A206 PolarHBondContact O-N 2.85Å; A206-R209 PolarHBondContact O-N 2.95Å; A206-G210 PolarHBondContact O-N 2.97Å |
| 207 | L | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 179.1 | -73.8 | 164.2 | 0 | 0 | 0 | 112.4 | L159 A163 L175 A191 L192 A195 T203 V204 G210 G211 A212 | L159-L207 HydrophobicContact CD1-CD2 4.19Å; L159-L207 HydrophobicContact CD2-CD2 4.38Å; L159-L207 HydrophobicContact CG-CD2 4.39Å; A163-L207 HydrophobicContact CB-CD1 4.07Å; L175-L207 HydrophobicContact CD1-CD2 4.06Å; A191-L207 HydrophobicContact CB-CD1 4.21Å; A191-L207 HydrophobicContact CB-CD2 3.73Å; A191-L207 WeakPolarHBondContact O-CD1 3.45Å; L192-L207 HydrophobicContact CD1-CB 4.12Å; A195-L207 HydrophobicContact CB-CD1 3.53Å; T203-L207 HydrophobicContact CG2-CD1 3.94Å; T203-L207 WeakPolarHBondContact O-CB 3.44Å; T203-L207 WeakPolarHBondContact O-CG 3.42Å; T203-L207 PolarHBondContact O-N 3.25Å; V204-L207 PolarHBondContact O-N 3.02Å; L207-G210 CarbonylContact O-C 3.33Å; L207-G210 WeakPolarHBondContact O-CA 3.47Å; L207-G210 PolarHBondContact O-N 3.17Å; L207-G210 VanDerWaalsContact O-N 3.14Å; L207-G211 PolarHBondContact O-N 3.13Å; L207-A212 HydrophobicContact CB-CB 4.05Å; L207-A212 WeakPolarHBondContact O-CB 3.41Å; L207-A212 PolarHBondContact O-N 3.28Å |
| 208 | L | 90.9 | Very high | 90 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 176 | -70.8 | 173.5 | 0 | 0 | 0 | 111.8 | L192 V204 G210 G211 T214 M239 L240 V244 | L192-L208 HydrophobicContact CD1-CD2 4Å; L192-L208 HydrophobicContact CD1-CG 3.98Å; L192-L208 HydrophobicContact CD2-CD2 3.89Å; V204-L208 HydrophobicContact CG1-CD1 3.8Å; V204-L208 HydrophobicContact CG1-CG 4.29Å; V204-L208 WeakPolarHBondContact O-CB 3.48Å; V204-L208 VanDerWaalsContact O-CG 3.28Å; V204-L208 WeakPolarHBondContact O-CG 3.48Å; V204-L208 PolarHBondContact O-N 2.97Å; L208-G210 VanDerWaalsContact C-N 3.27Å; L208-G210 PolarHBondContact O-N 3.3Å; L208-G211 PolarHBondContact O-N 2.96Å; L208-T214 HydrophobicContact CD2-CG2 3.64Å; L208-M239 HydrophobicContact CD1-CB 4.48Å; L208-M239 HydrophobicContact CD1-CE 4.43Å; L208-L240 HydrophobicContact CD1-CD2 4.19Å; L208-L240 HydrophobicContact CD2-CD2 4.17Å; L208-V244 HydrophobicContact CB-CG2 3.4Å; L208-V244 VanDerWaalsContact CB-CG2 3.4Å; L208-V244 HydrophobicContact CD1-CG2 3.57Å; L208-V244 HydrophobicContact CG-CG2 4.14Å |
| 209 | R | 89.4 | Confident | 90.2 | Very high | 167 Ų | 167 | 56.3 Ų | 56.3 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.7 | -33.8 | 172 | -72.4 | 179.3 | -158.7 | -168.5 | 7 | 112.2 | A205 A206 G211 V244 | A205-R209 WeakPolarHBondContact O-CB 3.25Å; A205-R209 VanDerWaalsContact O-CG 3.29Å; A205-R209 WeakPolarHBondContact O-CG 3.36Å; A205-R209 PolarHBondContact O-N 2.98Å; A206-R209 PolarHBondContact O-N 2.95Å; R209-G211 PolarHBondContact O-N 3.22Å; R209-V244 HydrophobicContact CG-CG1 4.27Å |
| 210 | G | 86.1 | Confident | 90.2 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A206 L207 L208 | A206-G210 PolarHBondContact O-N 2.97Å; L207-G210 CarbonylContact O-C 3.33Å; L207-G210 WeakPolarHBondContact O-CA 3.47Å; L207-G210 PolarHBondContact O-N 3.17Å; L207-G210 VanDerWaalsContact O-N 3.14Å; L208-G210 VanDerWaalsContact C-N 3.27Å; L208-G210 PolarHBondContact O-N 3.3Å |
| 211 | G | 87.1 | Confident | 90.1 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 23.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N182 L207 L208 R209 | N182-G211 PolarHBondContact ND2-O 2.94Å; N182-G211 VanDerWaalsContact ND2-O 3.12Å; L207-G211 PolarHBondContact O-N 3.13Å; L208-G211 PolarHBondContact O-N 2.96Å; R209-G211 PolarHBondContact O-N 3.22Å |
| 212 | A | 91.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | trans | -65.4 | 132.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A181 L192 L207 | A181-A212 HydrophobicContact CB-CB 4.12Å; L192-A212 HydrophobicContact CB-CB 4.15Å; L192-A212 HydrophobicContact CD2-CB 4.28Å; L207-A212 HydrophobicContact CB-CB 4.05Å; L207-A212 WeakPolarHBondContact O-CB 3.41Å; L207-A212 PolarHBondContact O-N 3.28Å | ||
| 213 | R | 88.1 | Confident | 90.2 | Very high | 166 Ų | 166 | 59.3 Ų | 59.3 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | trans | -83.5 | 124 | 179.6 | -70.4 | 174.5 | -180 | -177.8 | 1.2 | 110.7 | N182 Q215 L216 | N182-R213 VanDerWaalsContact OD1-CB 3.27Å; N182-R213 WeakPolarHBondContact OD1-CB 3.48Å; N182-R213 VanDerWaalsContact OD1-CG 3.27Å; N182-R213 WeakPolarHBondContact OD1-CG 3.49Å; N182-R213 PolarHBondContact OD1-N 3.45Å; R213-Q215 VanDerWaalsContact C-N 3.28Å; R213-Q215 PolarHBondContact O-N 3.02Å; R213-L216 HydrophobicContact CB-CD1 4.12Å; R213-L216 HydrophobicContact CB-CG 3.95Å | ||
| 214 | T | 88.8 | Confident | 90.2 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -16.3 | 177.2 | 58 | 0 | 0 | 0 | 0 | 114 | L192 L208 L240 | L192-T214 HydrophobicContact CD2-CG2 4.02Å; L208-T214 HydrophobicContact CD2-CG2 3.64Å; T214-L240 HydrophobicContact CG2-CD2 3.86Å |
| 215 | Q | 87.7 | Confident | 90.1 | Very high | 130 Ų | 130 | 60.9 Ų | 60.9 | 61% | 0.607 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.3 | -173.8 | -59.6 | -61.2 | -22.9 | 0 | 0 | 114.3 | R213 | R213-Q215 VanDerWaalsContact C-N 3.28Å; R213-Q215 PolarHBondContact O-N 3.02Å |
| 216 | L | 91.2 | Very high | 90 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | trans | -63.1 | 148.7 | 173.7 | -67.5 | 173.3 | 0 | 0 | 0 | 109.7 | N182 M193 R213 K223 | N182-L216 HydrophobicContact CB-CD1 4.15Å; M193-L216 HydrophobicContact CE-CB 3.95Å; M193-L216 WeakPolarHBondContact CE-O 3.5Å; R213-L216 HydrophobicContact CB-CD1 4.12Å; R213-L216 HydrophobicContact CB-CG 3.95Å; L216-K223 WeakPolarHBondContact O-CA 3.43Å | ||
| 217 | V | 92.3 | Very high | 89.8 | Confident | 66 Ų | 66 | 64 Ų | 64 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -124.2 | 144 | 177.3 | -68.3 | 0 | 0 | 0 | 0 | 109.8 | Q184 H222 K223 | Q184-V217 PolarHBondContact NE2-O 2.99Å; V217-H222 WeakPolarHBondContact CA-O 3.49Å; V217-K223 HydrophobicContact CG1-CG 3.61Å |
| 218 | D | 91.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | trans | -77.7 | -176.3 | 170.6 | 76 | -9.2 | 0 | 0 | 0 | 111.5 | G188 R189 M193 L220 G221 H222 Y227 | G188-D218 WeakPolarHBondContact O-CA 3.36Å; R189-D218 HydrophobicContact CG-CB 4.1Å; M193-D218 HydrophobicContact SD-CB 4.2Å; D218-L220 PolarHBondContact O-N 3.49Å; D218-L220 VanDerWaalsContact OD1-C 3.31Å; D218-L220 WeakPolarHBondContact OD1-CA 3.4Å; D218-L220 WeakPolarHBondContact OD1-CB 3.36Å; D218-L220 PolarHBondContact OD1-N 3.41Å; D218-G221 PolarHBondContact O-N 3.22Å; D218-G221 VanDerWaalsContact O-N 3.12Å; D218-G221 PolarHBondContact OD1-N 3.08Å; D218-H222 PolarHBondContact N-O 3.46Å; D218-H222 IonicContact OD1-CG 3.26Å; D218-H222 PolarHBondContact OD1-N 3.37Å; D218-H222 IonicContact OD2-ND1 3.99Å; D218-Y227 PolarHBondContact OD2-OH 2.95Å | ||
| 219 | Q | 91.2 | Very high | 89.6 | Confident | 143 Ų | 143 | 67.3 Ų | 67.3 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.8 | 175.4 | -77.9 | 176.2 | -2.5 | 0 | 0 | 114.1 | N186 Q187 G221 | N186-Q219 PolarHBondContact O-NE2 3.33Å; Q187-Q219 WeakPolarHBondContact O-CB 3.5Å; Q187-Q219 VanDerWaalsContact O-CG 3.3Å; Q187-Q219 WeakPolarHBondContact O-CG 3.42Å; Q187-Q219 PolarHBondContact O-N 3.07Å; Q219-G221 VanDerWaalsContact C-N 3.33Å |
| 220 | L | 88.8 | Confident | 89.5 | Confident | 133 Ų | 133 | 64.9 Ų | 64.9 | 70% | 0.696 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -7.3 | 176.6 | -57.3 | 175.5 | 0 | 0 | 0 | 112.1 | D218 | D218-L220 PolarHBondContact O-N 3.49Å; D218-L220 VanDerWaalsContact OD1-C 3.31Å; D218-L220 WeakPolarHBondContact OD1-CA 3.4Å; D218-L220 WeakPolarHBondContact OD1-CB 3.36Å; D218-L220 PolarHBondContact OD1-N 3.41Å |
| 221 | G | 88.1 | Confident | 89.5 | Confident | 45 Ų | 45 | 65 Ų | 65 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 86.1 | 7.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D218 Q219 | D218-G221 PolarHBondContact O-N 3.22Å; D218-G221 VanDerWaalsContact O-N 3.12Å; D218-G221 PolarHBondContact OD1-N 3.08Å; Q219-G221 VanDerWaalsContact C-N 3.33Å |
| 222 | H | 90 | Very high | 89.3 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 38% | 0.375 | 36% | 0.356 | S | S | . | . | trans | -79.7 | 134.9 | 179 | -58.5 | 143.6 | 0 | 0 | 0 | 111.8 | M193 V217 D218 D226 Y227 | M193-H222 WeakPolarHBondContact CE-O 3.44Å; V217-H222 WeakPolarHBondContact CA-O 3.49Å; D218-H222 PolarHBondContact N-O 3.46Å; D218-H222 IonicContact OD1-CG 3.26Å; D218-H222 PolarHBondContact OD1-N 3.37Å; D218-H222 IonicContact OD2-ND1 3.99Å; H222-D226 WeakPolarHBondContact CA-OD2 3.46Å; H222-D226 HydrophobicContact CB-CB 4.19Å; H222-Y227 HydrophobicContact CB-CD2 4.38Å; H222-Y227 HydrophobicContact CB-CE2 3.82Å | ||
| 223 | K | 92.8 | Very high | 89.1 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -91.8 | 166.3 | 172.1 | -62.2 | -179.3 | -178 | -174.3 | 0 | 110.7 | L216 V217 A225 D226 Y227 | L216-K223 WeakPolarHBondContact O-CA 3.43Å; V217-K223 HydrophobicContact CG1-CG 3.61Å; K223-A225 PolarHBondContact O-N 3.02Å; K223-A225 VanDerWaalsContact O-N 3.1Å; K223-D226 PolarHBondContact N-OD2 2.95Å; K223-D226 WeakPolarHBondContact O-CB 3.4Å; K223-D226 PolarHBondContact O-N 3.26Å; K223-Y227 WeakPolarHBondContact O-CD2 3.37Å; K223-Y227 PolarHBondContact O-N 3.49Å |
| 224 | A | 90.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.008 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -53.8 | -33 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L192 M193 D226 Y227 A228 L240 | L192-A224 HydrophobicContact CB-CB 4.47Å; L192-A224 HydrophobicContact CD2-CB 3.8Å; L192-A224 HydrophobicContact CG-CB 3.82Å; M193-A224 HydrophobicContact CG-CB 4.1Å; A224-D226 VanDerWaalsContact C-N 3.33Å; A224-D226 PolarHBondContact O-N 3Å; A224-Y227 PolarHBondContact O-N 2.84Å; A224-A228 PolarHBondContact O-N 3.35Å; A224-A228 VanDerWaalsContact O-N 3.11Å; A224-L240 HydrophobicContact CB-CD1 4.36Å; A224-L240 HydrophobicContact CB-CD2 4.42Å |
| 225 | A | 90.1 | Very high | 88.8 | Confident | 32 Ų | 32 | 66 Ų | 66 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K223 A228 I229 L240 | K223-A225 PolarHBondContact O-N 3.02Å; K223-A225 VanDerWaalsContact O-N 3.1Å; A225-A228 PolarHBondContact O-N 2.7Å; A225-I229 WeakPolarHBondContact O-CD1 3.35Å; A225-I229 WeakPolarHBondContact O-CG1 3.38Å; A225-I229 PolarHBondContact O-N 3.13Å; A225-L240 HydrophobicContact CB-CD1 4.37Å |
| 226 | D | 89.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | -180 | -57.2 | -40.3 | 0 | 0 | 0 | 110.2 | H222 K223 A224 A228 I229 T230 | H222-D226 WeakPolarHBondContact CA-OD2 3.46Å; H222-D226 HydrophobicContact CB-CB 4.19Å; K223-D226 PolarHBondContact N-OD2 2.95Å; K223-D226 WeakPolarHBondContact O-CB 3.4Å; K223-D226 PolarHBondContact O-N 3.26Å; A224-D226 VanDerWaalsContact C-N 3.33Å; A224-D226 PolarHBondContact O-N 3Å; D226-A228 PolarHBondContact O-N 3.4Å; D226-I229 PolarHBondContact O-N 3.39Å; D226-T230 WeakPolarHBondContact O-CG2 3.46Å; D226-T230 PolarHBondContact O-N 3.35Å; D226-T230 PolarHBondContact O-OG1 2.94Å |
| 227 | Y | 88.6 | Confident | 88.6 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 171.7 | -73.6 | -85.6 | 0 | 0 | 0 | 113 | M193 E197 D218 H222 K223 A224 I229 T230 T231 | M193-Y227 HydrophobicContact CB-CD2 3.98Å; M193-Y227 HydrophobicContact CB-CE2 4.01Å; M193-Y227 HydrophobicContact CG-CD2 4.08Å; M193-Y227 HydrophobicContact CG-CE2 4.09Å; M193-Y227 HydrophobicContact SD-CE2 4.28Å; E197-Y227 HydrophobicContact CB-CD1 4.13Å; D218-Y227 PolarHBondContact OD2-OH 2.95Å; H222-Y227 HydrophobicContact CB-CD2 4.38Å; H222-Y227 HydrophobicContact CB-CE2 3.82Å; K223-Y227 WeakPolarHBondContact O-CD2 3.37Å; K223-Y227 PolarHBondContact O-N 3.49Å; A224-Y227 PolarHBondContact O-N 2.84Å; Y227-I229 VanDerWaalsContact C-N 3.32Å; Y227-T230 WeakPolarHBondContact CA-OG1 3.24Å; Y227-T230 PolarHBondContact O-OG1 3.39Å; Y227-T231 WeakPolarHBondContact O-CG2 3.3Å; Y227-T231 PolarHBondContact O-N 3.03Å; Y227-T231 VanDerWaalsContact O-N 3.11Å; Y227-T231 PolarHBondContact O-OG1 3.29Å |
| 228 | A | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.8 | -30.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C196 A224 A225 D226 T231 G232 N233 I236 V237 L240 | C196-A228 HydrophobicContact CB-CB 4.31Å; A224-A228 PolarHBondContact O-N 3.35Å; A224-A228 VanDerWaalsContact O-N 3.11Å; A225-A228 PolarHBondContact O-N 2.7Å; D226-A228 PolarHBondContact O-N 3.4Å; A228-T231 PolarHBondContact O-OG1 3.16Å; A228-G232 PolarHBondContact O-N 3.44Å; A228-N233 PolarHBondContact O-N 2.85Å; A228-I236 HydrophobicContact CB-CB 4.11Å; A228-I236 HydrophobicContact CB-CG2 3.49Å; A228-I236 VanDerWaalsContact CB-CG2 3.49Å; A228-V237 HydrophobicContact CB-CG2 3.7Å; A228-L240 HydrophobicContact CB-CD1 3.86Å |
| 229 | I | 88.4 | Confident | 88 | Confident | 101 Ų | 101 | 63.7 Ų | 63.7 | 52% | 0.518 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.9 | -41.7 | 176 | -68.7 | 162.5 | 0 | 0 | 0 | 110.3 | A225 D226 Y227 G232 V237 | A225-I229 WeakPolarHBondContact O-CD1 3.35Å; A225-I229 WeakPolarHBondContact O-CG1 3.38Å; A225-I229 PolarHBondContact O-N 3.13Å; D226-I229 PolarHBondContact O-N 3.39Å; Y227-I229 VanDerWaalsContact C-N 3.32Å; I229-G232 PolarHBondContact O-N 2.9Å; I229-G232 VanDerWaalsContact O-N 3.14Å; I229-V237 HydrophobicContact CG1-CG2 3.96Å |
| 230 | T | 87 | Confident | 87.7 | Confident | 116 Ų | 116 | 57.9 Ų | 57.9 | 71% | 0.712 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.2 | -35.7 | 178.7 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | D226 Y227 G232 | D226-T230 WeakPolarHBondContact O-CG2 3.46Å; D226-T230 PolarHBondContact O-N 3.35Å; D226-T230 PolarHBondContact O-OG1 2.94Å; Y227-T230 WeakPolarHBondContact CA-OG1 3.24Å; Y227-T230 PolarHBondContact O-OG1 3.39Å; T230-G232 VanDerWaalsContact C-N 3.27Å; T230-G232 PolarHBondContact O-N 3.05Å |
| 231 | T | 86.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 58 Ų | 58 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -15.1 | 172.5 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | E199 Y227 A228 N233 | E199-T231 HydrophobicContact CG-CG2 3.85Å; Y227-T231 WeakPolarHBondContact O-CG2 3.3Å; Y227-T231 PolarHBondContact O-N 3.03Å; Y227-T231 VanDerWaalsContact O-N 3.11Å; Y227-T231 PolarHBondContact O-OG1 3.29Å; A228-T231 PolarHBondContact O-OG1 3.16Å; T231-N233 VanDerWaalsContact C-N 3.28Å; T231-N233 PolarHBondContact O-N 3.45Å |
| 232 | G | 84.3 | Confident | 86.9 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 10.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A228 I229 T230 Q234 | A228-G232 PolarHBondContact O-N 3.44Å; I229-G232 PolarHBondContact O-N 2.9Å; I229-G232 VanDerWaalsContact O-N 3.14Å; T230-G232 VanDerWaalsContact C-N 3.27Å; T230-G232 PolarHBondContact O-N 3.05Å; G232-Q234 PolarHBondContact O-N 3.22Å |
| 233 | N | 84.9 | Confident | 85.7 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | trans | -81.4 | 89.7 | -177.7 | -164.8 | -29.7 | 0 | 0 | 0 | 111.4 | E199 A228 T231 C235 I236 V237 | E199-N233 PolarHBondContact O-ND2 3.39Å; A228-N233 PolarHBondContact O-N 2.85Å; T231-N233 VanDerWaalsContact C-N 3.28Å; T231-N233 PolarHBondContact O-N 3.45Å; N233-C235 PolarHBondContact O-N 3.45Å; N233-C235 VanDerWaalsContact O-N 3.12Å; N233-C235 PolarHBondContact OD1-N 3.25Å; N233-I236 HydrophobicContact CB-CB 4.35Å; N233-I236 HydrophobicContact CB-CD1 4.02Å; N233-I236 HydrophobicContact CB-CG1 4.19Å; N233-I236 WeakPolarHBondContact ND2-CD1 3.41Å; N233-I236 PolarHBondContact O-N 3.28Å; N233-I236 VanDerWaalsContact O-N 3.09Å; N233-V237 PolarHBondContact O-N 3.43Å; N233-V237 VanDerWaalsContact O-N 3.16Å | ||
| 234 | Q | 85.8 | Confident | 84.5 | Confident | 131 Ų | 131 | 58 Ų | 58 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.6 | -28.4 | -177 | -63.8 | -176 | 19.1 | 0 | 0 | 113.8 | G232 R238 | G232-Q234 PolarHBondContact O-N 3.22Å; Q234-R238 WeakPolarHBondContact O-CG 3.45Å; Q234-R238 PolarHBondContact O-N 3.03Å |
| 235 | C | 85.3 | Confident | 82.9 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 48% | 0.48 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 177.5 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | V201 N233 R238 M239 | V201-C235 HydrophobicContact CG2-CB 4.39Å; N233-C235 PolarHBondContact O-N 3.45Å; N233-C235 VanDerWaalsContact O-N 3.12Å; N233-C235 PolarHBondContact OD1-N 3.25Å; C235-R238 PolarHBondContact O-N 2.87Å; C235-M239 WeakPolarHBondContact O-CG 3.37Å; C235-M239 PolarHBondContact O-N 2.92Å |
| 236 | I | 87.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 177 | -63.2 | 179.9 | 0 | 0 | 0 | 110.1 | C196 V201 V204 A228 N233 R238 M239 L240 | C196-I236 HydrophobicContact CB-CG2 4.38Å; V201-I236 HydrophobicContact CG2-CD1 4.33Å; V201-I236 HydrophobicContact CG2-CG1 3.94Å; V204-I236 HydrophobicContact CG1-CG2 4.2Å; V204-I236 HydrophobicContact CG2-CD1 4.23Å; V204-I236 HydrophobicContact CG2-CG1 4.49Å; V204-I236 HydrophobicContact CG2-CG2 4.11Å; A228-I236 HydrophobicContact CB-CB 4.11Å; A228-I236 HydrophobicContact CB-CG2 3.49Å; A228-I236 VanDerWaalsContact CB-CG2 3.49Å; N233-I236 HydrophobicContact CB-CB 4.35Å; N233-I236 HydrophobicContact CB-CD1 4.02Å; N233-I236 HydrophobicContact CB-CG1 4.19Å; N233-I236 WeakPolarHBondContact ND2-CD1 3.41Å; N233-I236 PolarHBondContact O-N 3.28Å; N233-I236 VanDerWaalsContact O-N 3.09Å; I236-R238 VanDerWaalsContact C-N 3.35Å; I236-R238 PolarHBondContact O-N 2.96Å; I236-M239 PolarHBondContact O-N 3.49Å; I236-L240 HydrophobicContact CG2-CD1 3.92Å; I236-L240 HydrophobicContact CG2-CG 4.32Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.5Å; I236-L240 PolarHBondContact O-N 3.13Å |
| 237 | V | 87.1 | Confident | 78.5 | Confident | 24 Ų | 24 | 66.9 Ų | 66.9 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | A228 I229 N233 L240 Q241 | A228-V237 HydrophobicContact CB-CG2 3.7Å; I229-V237 HydrophobicContact CG1-CG2 3.96Å; N233-V237 PolarHBondContact O-N 3.43Å; N233-V237 VanDerWaalsContact O-N 3.16Å; V237-L240 PolarHBondContact O-N 3.49Å; V237-Q241 WeakPolarHBondContact O-CG 3.36Å; V237-Q241 PolarHBondContact O-N 2.89Å; V237-Q241 VanDerWaalsContact O-N 3.15Å |
| 238 | R | 85.7 | Confident | 75.8 | Confident | 141 Ų | 141 | 72.9 Ų | 72.9 | 53% | 0.532 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.1 | -70.4 | 179.2 | -161.9 | 155.2 | 8.7 | 111.9 | Q234 C235 I236 L240 Q241 D242 | Q234-R238 WeakPolarHBondContact O-CG 3.45Å; Q234-R238 PolarHBondContact O-N 3.03Å; C235-R238 PolarHBondContact O-N 2.87Å; I236-R238 VanDerWaalsContact C-N 3.35Å; I236-R238 PolarHBondContact O-N 2.96Å; R238-L240 VanDerWaalsContact C-N 3.29Å; R238-L240 PolarHBondContact O-N 2.85Å; R238-Q241 PolarHBondContact O-N 3.24Å; R238-Q241 VanDerWaalsContact O-N 3.15Å; R238-D242 WeakPolarHBondContact O-CB 3.46Å; R238-D242 PolarHBondContact O-N 3.11Å |
| 239 | M | 85.9 | Confident | 73.2 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 14% | 0.138 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.9 | -34.3 | 177.3 | -79 | 174.3 | 56.6 | 0 | 0 | 113.6 | V201 V204 A205 L208 C235 I236 G243 V244 | V201-M239 HydrophobicContact CG1-CE 4.4Å; V201-M239 HydrophobicContact CG1-SD 3.53Å; V201-M239 VanDerWaalsContact CG1-SD 3.53Å; V204-M239 HydrophobicContact CB-CE 4.48Å; V204-M239 HydrophobicContact CG1-CE 4.06Å; A205-M239 VanDerWaalsContact CA-CE 3.46Å; A205-M239 HydrophobicContact CB-CE 3.48Å; A205-M239 VanDerWaalsContact CB-CE 3.48Å; L208-M239 HydrophobicContact CD1-CB 4.48Å; L208-M239 HydrophobicContact CD1-CE 4.43Å; C235-M239 WeakPolarHBondContact O-CG 3.37Å; C235-M239 PolarHBondContact O-N 2.92Å; I236-M239 PolarHBondContact O-N 3.49Å; M239-G243 CarbonylContact O-C 3.55Å; M239-G243 WeakPolarHBondContact O-CA 3.42Å; M239-G243 PolarHBondContact O-N 2.91Å; M239-G243 VanDerWaalsContact O-N 3.13Å; M239-V244 HydrophobicContact CE-CG2 4.18Å |
| 240 | L | 86.2 | Confident | 70.7 | Confident | 20 Ų | 20 | 77.7 Ų | 77.7 | 11% | 0.105 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -74.7 | -28.1 | 176.6 | -68.2 | 171.7 | 0 | 0 | 0 | 112.7 | L192 V204 L208 T214 A224 A225 A228 I236 V237 R238 | L192-L240 HydrophobicContact CD1-CD2 4.24Å; L192-L240 HydrophobicContact CD2-CD2 3.91Å; L192-L240 HydrophobicContact CG-CD2 4.28Å; V204-L240 HydrophobicContact CG1-CD2 4.45Å; L208-L240 HydrophobicContact CD1-CD2 4.19Å; L208-L240 HydrophobicContact CD2-CD2 4.17Å; T214-L240 HydrophobicContact CG2-CD2 3.86Å; A224-L240 HydrophobicContact CB-CD1 4.36Å; A224-L240 HydrophobicContact CB-CD2 4.42Å; A225-L240 HydrophobicContact CB-CD1 4.37Å; A228-L240 HydrophobicContact CB-CD1 3.86Å; I236-L240 HydrophobicContact CG2-CD1 3.92Å; I236-L240 HydrophobicContact CG2-CG 4.32Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.5Å; I236-L240 PolarHBondContact O-N 3.13Å; V237-L240 PolarHBondContact O-N 3.49Å; R238-L240 VanDerWaalsContact C-N 3.29Å; R238-L240 PolarHBondContact O-N 2.85Å |
| 241 | Q | 82.4 | Confident | 68 | Low | 136 Ų | 136 | 80.7 Ų | 80.7 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -85 | -49.3 | 179.1 | -72.1 | 175.9 | -2.4 | 0 | 0 | 112.6 | V237 R238 | V237-Q241 WeakPolarHBondContact O-CG 3.36Å; V237-Q241 PolarHBondContact O-N 2.89Å; V237-Q241 VanDerWaalsContact O-N 3.15Å; R238-Q241 PolarHBondContact O-N 3.24Å; R238-Q241 VanDerWaalsContact O-N 3.15Å |
| 242 | D | 76.1 | Confident | 65.2 | Low | 131 Ų | 131 | 84 Ų | 84 | 70% | 0.701 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -91.3 | -9 | -172.7 | -61.3 | -29.6 | 0 | 0 | 0 | 112.5 | R238 | R238-D242 WeakPolarHBondContact O-CB 3.46Å; R238-D242 PolarHBondContact O-N 3.11Å |
| 243 | G | 66.3 | Low | 63 | Low | 35 Ų | 35 | 87.6 Ų | 87.6 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | trans | 76.8 | 165.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M239 P245 | M239-G243 CarbonylContact O-C 3.55Å; M239-G243 WeakPolarHBondContact O-CA 3.42Å; M239-G243 PolarHBondContact O-N 2.91Å; M239-G243 VanDerWaalsContact O-N 3.13Å; G243-P245 WeakPolarHBondContact O-CD 3.34Å | ||
| 244 | V | 67.6 | Low | 60.1 | Low | 37 Ų | 37 | 94.9 Ų | 94.9 | 22% | 0.224 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 124.8 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 108 | L208 R209 M239 | L208-V244 HydrophobicContact CB-CG2 3.4Å; L208-V244 VanDerWaalsContact CB-CG2 3.4Å; L208-V244 HydrophobicContact CD1-CG2 3.57Å; L208-V244 HydrophobicContact CG-CG2 4.14Å; R209-V244 HydrophobicContact CG-CG1 4.27Å; M239-V244 HydrophobicContact CE-CG2 4.18Å |
| 245 | P | 56.6 | Low | 57.6 | Low | 92 Ų | 92 | 94 Ų | 94 | 60% | 0.597 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 134.9 | 174.6 | 21.2 | -30.7 | 0 | 0 | 0 | 108.8 | G243 A247 | G243-P245 WeakPolarHBondContact O-CD 3.34Å; P245-A247 PolarHBondContact O-N 2.92Å |
| 246 | P | 48 | Very low | 55 | Low | 114 Ų | 114 | 99.8 Ų | 99.8 | 74% | 0.74 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 129.9 | 176.2 | 23.3 | -31.5 | 0 | 0 | 0 | 107.5 | L248 | P246-L248 VanDerWaalsContact C-N 3.33Å; P246-L248 PolarHBondContact O-N 3.31Å |
| 247 | A | 38.8 | Very low | 52.2 | Low | 75 Ų | 75 | 110 Ų | 110 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | trans | -56.9 | 103.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | P245 | P245-A247 PolarHBondContact O-N 2.92Š| ||
| 248 | L | 31.7 | Very low | 49.6 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 82% | 0.817 | 65% | 0.645 | S | S | * | * | trans | -56.1 | 129 | 167.4 | -76.1 | 164.1 | 0 | 0 | 0 | 105.7 | P246 A250 | P246-L248 VanDerWaalsContact C-N 3.33Å; P246-L248 PolarHBondContact O-N 3.31Å; L248-A250 PolarHBondContact O-N 2.95Å | ||
| 249 | P | 35 | Very low | 47 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 59% | 0.591 | 66% | 0.664 | S | S | * | * | trans | -56.2 | 131.7 | 166.1 | 25.3 | -30.7 | 0 | 0 | 0 | 106.2 | K251 | P249-K251 PolarHBondContact O-N 3.29Š| ||
| 250 | A | 36.8 | Very low | 44.2 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 92% | 0.917 | 69% | 0.691 | S | S | * | * | trans | -43.1 | 107.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L248 | L248-A250 PolarHBondContact O-N 2.95Š| ||
| 251 | K | 30.5 | Very low | 41.7 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | trans | -120.2 | 122.9 | 174.7 | -82.2 | -172.8 | 178.3 | -177.3 | 0 | 107.5 | P249 | P249-K251 PolarHBondContact O-N 3.29Š| ||
| 252 | S | 26.8 | Very low | 39.3 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -29.1 | 146.1 | 159.9 | 41.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 253 | P | 37 | Very low | 38.3 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -76.8 | 134.9 | -171.4 | 31.9 | -33.4 | 0 | 0 | 0 | 111.8 | ||||
| 254 | E | 24.8 | Very low | 36.6 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -158.9 | 157 | 166.3 | -116 | -171.7 | -141.8 | 0 | 0 | 109.2 | ||||
| 255 | P | 33.9 | Very low | 35.9 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -114.8 | 142.8 | -81.8 | 24.1 | -6.6 | 0 | 0 | 0 | 111.6 | K257 | P255-K257 PolarHBondContact O-N 3.49Š| |||
| 256 | Q | 30.8 | Very low | 35.6 | Very low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -77 | 122.7 | 170.4 | -72.4 | -175.7 | -12.2 | 0 | 0 | 110.3 | S258 | Q256-S258 PolarHBondContact O-N 3.13Š| ||
| 257 | K | 28.8 | Very low | 34.6 | Very low | 215 Ų | 215 | 134.1 Ų | 134.1 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | -71 | 112.3 | 163.4 | -80.4 | 177.2 | 176.4 | 175.4 | 0 | 109 | P255 | P255-K257 PolarHBondContact O-N 3.49Š| ||
| 258 | S | 31.2 | Very low | 34.7 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -130.9 | 139.1 | 156.3 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | Q256 | Q256-S258 PolarHBondContact O-N 3.13Š| ||
| 259 | Q | 31 | Very low | 34.8 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 147.8 | -165.5 | -65.7 | 161.4 | -16.8 | 0 | 0 | 113.3 | ||||
| 260 | S | 27.1 | Very low | 35.2 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -64.1 | 159.8 | 173.4 | 52.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 261 | P | 35.2 | Very low | 35.3 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | -138.3 | 143.6 | 94.8 | 34.8 | -20.2 | 0 | 0 | 0 | 115.2 | |||||
| 262 | S | 31.8 | Very low | 35.9 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -84.1 | -175 | 170.2 | -42.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 263 | P | 55.4 | Low | 36.7 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -144.5 | 167 | 2.1 | 33.8 | -10.4 | 0 | 0 | 0 | 118 | ||||
| 264 | Q | 29.3 | Very low | 37.3 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | 149.1 | 152.6 | 124.3 | -83.2 | -159.5 | -18.7 | 0 | 0 | 117.1 | |||||
| 265 | P | 52.7 | Low | 38.4 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -101.5 | -168.2 | -157.9 | 44.2 | -34.3 | 0 | 0 | 0 | 112.4 | ||||
| 266 | P | 50.2 | Low | 39.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | cis | -142 | -179.8 | 14 | 41.1 | -19.8 | 0 | 0 | 0 | 116.8 | ||||
| 267 | G | 28.2 | Very low | 40.1 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 168.1 | 96.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 268 | T | 40.6 | Very low | 41.7 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -60.7 | 134.4 | 177 | -29.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 269 | Q | 34.4 | Very low | 42.9 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | -161.3 | 99.8 | 145 | -107.4 | 171 | 23.8 | 0 | 0 | 110.5 | ||||
| 270 | Q | 43 | Very low | 44.3 | Very low | 168 Ų | 168 | 125 Ų | 125 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -84.6 | 119.7 | 164.6 | -73.5 | 170.1 | -40 | 0 | 0 | 107.6 | ||||
| 271 | S | 37.8 | Very low | 46.4 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 85% | 0.853 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 179.8 | -6.2 | 145.4 | 51.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 272 | S | 43.2 | Very low | 47.8 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -99.5 | -5 | 177.5 | 60.4 | 0 | 0 | 0 | 0 | 115.5 | A274 | S272-A274 PolarHBondContact O-N 3.33Š|
| 273 | Q | 44.8 | Very low | 49.1 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.1 | -7.8 | -166.1 | -69.8 | -174.7 | -45.9 | 0 | 0 | 116.1 | E277 | Q273-E277 WeakPolarHBondContact O-CB 3.47Å |
| 274 | A | 49.4 | Very low | 49.5 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -83.5 | -36.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S272 | S272-A274 PolarHBondContact O-N 3.33Å |
| 275 | E | 47.9 | Very low | 51.6 | Low | 156 Ų | 156 | 120.5 Ų | 120.5 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.9 | -36.6 | -179.4 | -64.8 | 179.7 | 174.5 | 0 | 0 | 111.3 | E277 E278 V279 | E275-E277 VanDerWaalsContact C-N 3.31Å; E275-E277 PolarHBondContact O-N 3.03Å; E275-E278 PolarHBondContact O-N 3.13Å; E275-V279 WeakPolarHBondContact O-CG2 3.5Å; E275-V279 PolarHBondContact O-N 3.08Å |
| 276 | D | 48.3 | Very low | 52.1 | Low | 102 Ų | 102 | 119.8 Ų | 119.8 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.4 | -31.7 | 175.7 | -72 | -26.9 | 0 | 0 | 0 | 112.5 | F280 | D276-F280 WeakPolarHBondContact O-CB 3.5Å; D276-F280 PolarHBondContact O-N 3.45Å |
| 277 | E | 52.6 | Low | 52.6 | Low | 123 Ų | 123 | 122.7 Ų | 122.7 | 58% | 0.575 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.6 | -37.6 | 179.3 | -159.9 | 75 | -164 | 0 | 0 | 112 | Q273 E275 F280 E281 | Q273-E277 WeakPolarHBondContact O-CB 3.47Å; E275-E277 VanDerWaalsContact C-N 3.31Å; E275-E277 PolarHBondContact O-N 3.03Å; E277-F280 PolarHBondContact O-N 3.43Å; E277-E281 PolarHBondContact O-N 2.98Å |
| 278 | E | 60.6 | Low | 54.6 | Low | 151 Ų | 151 | 123.6 Ų | 123.6 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.4 | -42 | 173.6 | -80.5 | -172.1 | 167.4 | 0 | 0 | 111.5 | E275 F280 E281 E282 | E275-E278 PolarHBondContact O-N 3.13Å; E278-F280 VanDerWaalsContact C-N 3.32Å; E278-F280 PolarHBondContact O-N 3Å; E278-E281 PolarHBondContact O-N 3.5Å; E278-E282 WeakPolarHBondContact O-CB 3.42Å; E278-E282 PolarHBondContact O-N 3.12Å |
| 279 | V | 56.6 | Low | 56 | Low | 85 Ų | 85 | 121.8 Ų | 121.8 | 52% | 0.515 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.2 | -39.3 | 174.9 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | E275 E282 I283 | E275-V279 WeakPolarHBondContact O-CG2 3.5Å; E275-V279 PolarHBondContact O-N 3.08Å; V279-E282 PolarHBondContact O-N 2.9Å; V279-I283 HydrophobicContact CG1-CD1 3.85Å; V279-I283 HydrophobicContact CG1-CG1 4.46Å; V279-I283 WeakPolarHBondContact O-CB 3.48Å; V279-I283 WeakPolarHBondContact O-CG1 3.21Å; V279-I283 PolarHBondContact O-N 3.38Å |
| 280 | F | 60.8 | Low | 57.5 | Low | 152 Ų | 152 | 120 Ų | 120 | 67% | 0.667 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.8 | -42.1 | 177.2 | -127.1 | -94.6 | 0 | 0 | 0 | 112.8 | D276 E277 E278 I283 R284 | D276-F280 WeakPolarHBondContact O-CB 3.5Å; D276-F280 PolarHBondContact O-N 3.45Å; E277-F280 PolarHBondContact O-N 3.43Å; E278-F280 VanDerWaalsContact C-N 3.32Å; E278-F280 PolarHBondContact O-N 3Å; F280-I283 PolarHBondContact O-N 3.47Å; F280-R284 VanDerWaalsContact O-CB 3.32Å; F280-R284 WeakPolarHBondContact O-CB 3.33Å; F280-R284 PolarHBondContact O-N 3.02Å |
| 281 | E | 71.1 | Confident | 58.7 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.3 | -33.5 | 176.2 | -80.5 | -64.9 | 168.7 | 0 | 0 | 112 | E277 E278 R284 R285 | E277-E281 PolarHBondContact O-N 2.98Å; E278-E281 PolarHBondContact O-N 3.5Å; E281-R284 WeakPolarHBondContact O-CB 3.4Å; E281-R284 PolarHBondContact O-N 3.34Å; E281-R284 IonicContact OE1-NH1 3.06Å; E281-R284 PolarHBondContact OE1-NH1 3.12Å; E281-R284 WeakPolarHBondContact OE2-CD 3.41Å; E281-R284 IonicContact OE2-NH1 3.83Å; E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 PolarHBondContact O-N 3.35Å |
| 282 | E | 64.4 | Low | 60.4 | Low | 94 Ų | 94 | 115.6 Ų | 115.6 | 44% | 0.439 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69 | -42.8 | 174 | -158.6 | 64.4 | -155.9 | 0 | 0 | 111.3 | E278 V279 R284 R285 L286 | E278-E282 WeakPolarHBondContact O-CB 3.42Å; E278-E282 PolarHBondContact O-N 3.12Å; V279-E282 PolarHBondContact O-N 2.9Å; E282-R284 VanDerWaalsContact C-N 3.27Å; E282-R284 PolarHBondContact O-N 2.9Å; E282-R285 PolarHBondContact O-N 2.83Å; E282-R285 IonicContact OE2-NH1 3.72Å; E282-L286 WeakPolarHBondContact O-CB 3.36Å; E282-L286 VanDerWaalsContact O-CG 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.11Å; E282-L286 PolarHBondContact O-N 3.37Å |
| 283 | I | 59 | Low | 61.5 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 37% | 0.369 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 172.3 | -70.3 | 167 | 0 | 0 | 0 | 110.7 | V279 F280 R287 | V279-I283 HydrophobicContact CG1-CD1 3.85Å; V279-I283 HydrophobicContact CG1-CG1 4.46Å; V279-I283 WeakPolarHBondContact O-CB 3.48Å; V279-I283 WeakPolarHBondContact O-CG1 3.21Å; V279-I283 PolarHBondContact O-N 3.38Å; F280-I283 PolarHBondContact O-N 3.47Å; I283-R287 WeakPolarHBondContact O-CB 3.34Å; I283-R287 VanDerWaalsContact O-CG 3.28Å; I283-R287 WeakPolarHBondContact O-CG 3.36Å; I283-R287 PolarHBondContact O-N 2.84Å |
| 284 | R | 64.5 | Low | 62.6 | Low | 146 Ų | 146 | 111.7 Ų | 111.7 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 177.6 | -169 | -176.2 | -174.5 | -170.9 | 3.4 | 111.7 | F280 E281 E282 R287 L288 | F280-R284 VanDerWaalsContact O-CB 3.32Å; F280-R284 WeakPolarHBondContact O-CB 3.33Å; F280-R284 PolarHBondContact O-N 3.02Å; E281-R284 WeakPolarHBondContact O-CB 3.4Å; E281-R284 PolarHBondContact O-N 3.34Å; E281-R284 IonicContact OE1-NH1 3.06Å; E281-R284 PolarHBondContact OE1-NH1 3.12Å; E281-R284 WeakPolarHBondContact OE2-CD 3.41Å; E281-R284 IonicContact OE2-NH1 3.83Å; E282-R284 VanDerWaalsContact C-N 3.27Å; E282-R284 PolarHBondContact O-N 2.9Å; R284-R287 PolarHBondContact O-N 2.84Å; R284-L288 PolarHBondContact O-N 2.97Å |
| 285 | R | 74.1 | Confident | 63.7 | Low | 143 Ų | 143 | 115 Ų | 115 | 54% | 0.54 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 174.6 | -178.3 | -177.6 | -84.7 | 173.2 | -6.2 | 111 | E281 E282 R287 L288 E289 | E281-R285 WeakPolarHBondContact O-CB 3.35Å; E281-R285 PolarHBondContact O-N 3.35Å; E282-R285 PolarHBondContact O-N 2.83Å; E282-R285 IonicContact OE2-NH1 3.72Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 2.96Å; R285-L288 WeakPolarHBondContact O-CB 3.42Å; R285-L288 PolarHBondContact O-N 3.28Å; R285-L288 VanDerWaalsContact O-N 3.08Å; R285-E289 PolarHBondContact O-N 2.99Å |
| 286 | L | 61.8 | Low | 65 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 177.9 | -71.2 | 171.5 | 0 | 0 | 0 | 112.5 | E282 E289 R290 | E282-L286 WeakPolarHBondContact O-CB 3.36Å; E282-L286 VanDerWaalsContact O-CG 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.11Å; E282-L286 PolarHBondContact O-N 3.37Å; L286-E289 PolarHBondContact O-N 3.11Å; L286-R290 VanDerWaalsContact O-CB 3.31Å; L286-R290 WeakPolarHBondContact O-CB 3.39Å; L286-R290 PolarHBondContact O-N 2.88Å |
| 287 | R | 61.5 | Low | 66.1 | Low | 189 Ų | 189 | 108.5 Ų | 108.5 | 71% | 0.713 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 173.3 | -75.7 | 177.1 | -177.8 | -167.2 | 3.3 | 112.4 | I283 R284 R285 G291 | I283-R287 WeakPolarHBondContact O-CB 3.34Å; I283-R287 VanDerWaalsContact O-CG 3.28Å; I283-R287 WeakPolarHBondContact O-CG 3.36Å; I283-R287 PolarHBondContact O-N 2.84Å; R284-R287 PolarHBondContact O-N 2.84Å; R285-R287 VanDerWaalsContact C-N 3.33Å; R285-R287 PolarHBondContact O-N 2.96Å; R287-G291 PolarHBondContact O-N 3.31Å |
| 288 | L | 70.6 | Confident | 67.2 | Low | 93 Ų | 93 | 109.9 Ų | 109.9 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 176.7 | -119.2 | 131.2 | 0 | 0 | 0 | 111.8 | R284 R285 G291 R292 | R284-L288 PolarHBondContact O-N 2.97Å; R285-L288 WeakPolarHBondContact O-CB 3.42Å; R285-L288 PolarHBondContact O-N 3.28Å; R285-L288 VanDerWaalsContact O-N 3.08Å; L288-G291 PolarHBondContact O-N 3.36Å; L288-R292 WeakPolarHBondContact O-CG 3.11Å; L288-R292 PolarHBondContact O-N 3.26Å |
| 289 | E | 69.6 | Low | 67.9 | Low | 91 Ų | 91 | 105.3 Ų | 105.3 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 174.1 | -75.7 | -178.2 | 175.9 | 0 | 0 | 111.6 | R285 L286 G291 R292 L293 | R285-E289 PolarHBondContact O-N 2.99Å; L286-E289 PolarHBondContact O-N 3.11Å; E289-G291 VanDerWaalsContact C-N 3.26Å; E289-G291 PolarHBondContact O-N 3.27Å; E289-R292 PolarHBondContact O-N 3.41Å; E289-R292 VanDerWaalsContact O-N 3.09Å; E289-L293 WeakPolarHBondContact O-CG 3.37Å; E289-L293 PolarHBondContact O-N 2.99Å |
| 290 | R | 66.3 | Low | 68.4 | Low | 150 Ų | 150 | 102 Ų | 102 | 57% | 0.566 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.4 | -41.5 | 172 | -175.5 | 178.8 | 178.7 | -177.6 | 1.6 | 111.8 | L286 L293 L294 | L286-R290 VanDerWaalsContact O-CB 3.31Å; L286-R290 WeakPolarHBondContact O-CB 3.39Å; L286-R290 PolarHBondContact O-N 2.88Å; R290-L293 PolarHBondContact O-N 2.91Å; R290-L294 HydrophobicContact CG-CD1 4.17Å; R290-L294 WeakPolarHBondContact O-CB 3.41Å; R290-L294 VanDerWaalsContact O-CG 3.28Å; R290-L294 WeakPolarHBondContact O-CG 3.37Å; R290-L294 PolarHBondContact O-N 3.11Å |
| 291 | G | 67.7 | Low | 68.8 | Low | 32 Ų | 32 | 98.2 Ų | 98.2 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R287 L288 E289 Q295 | R287-G291 PolarHBondContact O-N 3.31Å; L288-G291 PolarHBondContact O-N 3.36Å; E289-G291 VanDerWaalsContact C-N 3.26Å; E289-G291 PolarHBondContact O-N 3.27Å; G291-Q295 WeakPolarHBondContact O-CG 3.32Å; G291-Q295 PolarHBondContact O-N 3.47Å; G291-Q295 VanDerWaalsContact O-N 3.1Å |
| 292 | R | 73.4 | Confident | 69 | Low | 165 Ų | 165 | 100.7 Ų | 100.7 | 62% | 0.623 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.8 | -41.5 | 176.5 | -71.3 | 175.3 | -177.6 | 171.9 | 1.8 | 112.2 | L288 E289 Q295 K296 | L288-R292 WeakPolarHBondContact O-CG 3.11Å; L288-R292 PolarHBondContact O-N 3.26Å; E289-R292 PolarHBondContact O-N 3.41Å; E289-R292 VanDerWaalsContact O-N 3.09Å; R292-Q295 PolarHBondContact O-N 3.07Å; R292-K296 PolarHBondContact O-N 3.44Å |
| 293 | L | 65.8 | Low | 69.4 | Low | 54 Ų | 54 | 101.2 Ų | 101.2 | 28% | 0.283 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 176.8 | -69.2 | 173.6 | 0 | 0 | 0 | 111.3 | E289 R290 Q295 K296 I297 L481 | E289-L293 WeakPolarHBondContact O-CG 3.37Å; E289-L293 PolarHBondContact O-N 2.99Å; R290-L293 PolarHBondContact O-N 2.91Å; L293-Q295 VanDerWaalsContact C-N 3.34Å; L293-Q295 PolarHBondContact O-N 2.79Å; L293-K296 PolarHBondContact O-N 2.84Å; L293-K296 VanDerWaalsContact O-N 3.15Å; L293-I297 WeakPolarHBondContact O-CG1 3.32Å; L293-I297 PolarHBondContact O-N 2.89Å; L293-L481 HydrophobicContact CD2-CD2 3.84Å |
| 294 | L | 67.8 | Low | 69.9 | Low | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 174.7 | -76.9 | 171.1 | 0 | 0 | 0 | 112.8 | R290 K298 M485 | R290-L294 HydrophobicContact CG-CD1 4.17Å; R290-L294 WeakPolarHBondContact O-CB 3.41Å; R290-L294 VanDerWaalsContact O-CG 3.28Å; R290-L294 WeakPolarHBondContact O-CG 3.37Å; R290-L294 PolarHBondContact O-N 3.11Å; L294-K298 WeakPolarHBondContact O-CB 3.3Å; L294-K298 PolarHBondContact O-N 3.33Å; L294-M485 HydrophobicContact CD2-CE 3.72Å; L294-M485 HydrophobicContact CD2-SD 3.95Å; L294-M485 HydrophobicContact CG-CE 4.3Å; L294-M485 HydrophobicContact CG-SD 4.27Å |
| 295 | Q | 73.9 | Confident | 70.1 | Confident | 148 Ų | 148 | 99.6 Ų | 99.6 | 69% | 0.692 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 173.7 | -76.5 | -179.3 | -11.7 | 0 | 0 | 112.1 | G291 R292 L293 K298 A299 | G291-Q295 WeakPolarHBondContact O-CG 3.32Å; G291-Q295 PolarHBondContact O-N 3.47Å; G291-Q295 VanDerWaalsContact O-N 3.1Å; R292-Q295 PolarHBondContact O-N 3.07Å; L293-Q295 VanDerWaalsContact C-N 3.34Å; L293-Q295 PolarHBondContact O-N 2.79Å; Q295-K298 PolarHBondContact O-N 3.39Å; Q295-A299 PolarHBondContact O-N 3.33Å |
| 296 | K | 74.1 | Confident | 69.9 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 47% | 0.474 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 177.4 | -166.8 | 176.5 | -179.3 | -170.2 | 0 | 111.9 | R292 L293 K298 A299 L300 L481 | R292-K296 PolarHBondContact O-N 3.44Å; L293-K296 PolarHBondContact O-N 2.84Å; L293-K296 VanDerWaalsContact O-N 3.15Å; K296-K298 VanDerWaalsContact C-N 3.35Å; K296-K298 PolarHBondContact O-N 3.5Å; K296-A299 PolarHBondContact O-N 2.93Å; K296-L300 HydrophobicContact CG-CD1 4.34Å; K296-L300 WeakPolarHBondContact O-CG 3.31Å; K296-L300 PolarHBondContact O-N 3.48Å; K296-L481 HydrophobicContact CD-CD1 4.05Å; K296-L481 HydrophobicContact CG-CD1 4.29Å |
| 297 | I | 72.2 | Confident | 69.9 | Low | 12 Ų | 12 | 92.6 Ų | 92.6 | 6% | 0.062 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 173.4 | -72.3 | 169.7 | 0 | 0 | 0 | 110 | L293 A299 L300 E301 L478 L481 K482 M485 | L293-I297 WeakPolarHBondContact O-CG1 3.32Å; L293-I297 PolarHBondContact O-N 2.89Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 PolarHBondContact O-N 3.14Å; I297-L300 PolarHBondContact O-N 3.33Å; I297-E301 HydrophobicContact CG2-CG 4.38Å; I297-E301 WeakPolarHBondContact O-CB 3.27Å; I297-E301 WeakPolarHBondContact O-CG 3.34Å; I297-E301 PolarHBondContact O-N 2.91Å; I297-L478 HydrophobicContact CB-CD1 4.46Å; I297-L478 HydrophobicContact CG2-CD1 3.97Å; I297-L481 HydrophobicContact CD1-CB 4.31Å; I297-L481 HydrophobicContact CG1-CB 4.1Å; I297-K482 HydrophobicContact CD1-CG 4.31Å; I297-M485 HydrophobicContact CD1-SD 3.42Å; I297-M485 WeakPolarHBondContact CD1-SD 3.37Å |
| 298 | K | 75.1 | Confident | 70.1 | Confident | 151 Ų | 151 | 86.9 Ų | 86.9 | 66% | 0.657 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.4 | -36.8 | 179.2 | -167.9 | 175.7 | -178 | 178.6 | 0 | 113 | L294 Q295 K296 Q302 | L294-K298 WeakPolarHBondContact O-CB 3.3Å; L294-K298 PolarHBondContact O-N 3.33Å; Q295-K298 PolarHBondContact O-N 3.39Å; K296-K298 VanDerWaalsContact C-N 3.35Å; K296-K298 PolarHBondContact O-N 3.5Å; K298-Q302 WeakPolarHBondContact O-CB 3.19Å; K298-Q302 PolarHBondContact O-N 3.34Å; K298-Q302 VanDerWaalsContact O-N 3.08Å |
| 299 | A | 74.7 | Confident | 69.9 | Low | 56 Ų | 56 | 85.2 Ų | 85.2 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q295 K296 I297 Q302 Q303 | Q295-A299 PolarHBondContact O-N 3.33Å; K296-A299 PolarHBondContact O-N 2.93Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 PolarHBondContact O-N 3.14Å; A299-Q302 PolarHBondContact O-N 2.93Å; A299-Q303 WeakPolarHBondContact O-CB 3.39Å; A299-Q303 PolarHBondContact O-N 3.22Å |
| 300 | L | 68.8 | Low | 69.6 | Low | 16 Ų | 16 | 82.5 Ų | 82.5 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 176 | -72.8 | 171.4 | 0 | 0 | 0 | 111.9 | K296 I297 Q302 Q303 Q304 L478 L481 | K296-L300 HydrophobicContact CG-CD1 4.34Å; K296-L300 WeakPolarHBondContact O-CG 3.31Å; K296-L300 PolarHBondContact O-N 3.48Å; I297-L300 PolarHBondContact O-N 3.33Å; L300-Q302 PolarHBondContact O-N 3.37Å; L300-Q303 PolarHBondContact O-N 3.22Å; L300-Q304 WeakPolarHBondContact O-CB 3.47Å; L300-Q304 PolarHBondContact O-N 3.32Å; L300-L478 HydrophobicContact CB-CD1 3.93Å; L300-L481 HydrophobicContact CD1-CD1 3.77Å |
| 301 | E | 69.6 | Low | 69.4 | Low | 71 Ų | 71 | 76.3 Ų | 76.3 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.2 | -73.2 | 175.4 | 163.5 | 0 | 0 | 111.1 | I297 Q303 Q304 Q305 L478 K482 | I297-E301 HydrophobicContact CG2-CG 4.38Å; I297-E301 WeakPolarHBondContact O-CB 3.27Å; I297-E301 WeakPolarHBondContact O-CG 3.34Å; I297-E301 PolarHBondContact O-N 2.91Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 2.88Å; E301-Q304 PolarHBondContact O-N 2.93Å; E301-Q305 WeakPolarHBondContact O-CB 3.4Å; E301-Q305 PolarHBondContact O-N 3.38Å; E301-L478 HydrophobicContact CG-CD1 3.67Å; E301-L478 HydrophobicContact CG-CD2 4.19Å; E301-K482 WeakPolarHBondContact OE1-CE 3.49Å; E301-K482 IonicContact OE1-NZ 3.39Å; E301-K482 PolarHBondContact OE1-NZ 3.21Å |
| 302 | Q | 75.1 | Confident | 69.4 | Low | 142 Ų | 142 | 80.8 Ų | 80.8 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 175.7 | -170.9 | 174.3 | 4.9 | 0 | 0 | 112.2 | K298 A299 L300 Q305 S306 | K298-Q302 WeakPolarHBondContact O-CB 3.19Å; K298-Q302 PolarHBondContact O-N 3.34Å; K298-Q302 VanDerWaalsContact O-N 3.08Å; A299-Q302 PolarHBondContact O-N 2.93Å; L300-Q302 PolarHBondContact O-N 3.37Å; Q302-Q305 PolarHBondContact O-N 3.17Å; Q302-S306 PolarHBondContact O-N 3.15Å; Q302-S306 VanDerWaalsContact O-N 3.08Å |
| 303 | Q | 72.2 | Confident | 68.8 | Low | 105 Ų | 105 | 79.1 Ų | 79.1 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.3 | -172.7 | 177.2 | -6.2 | 0 | 0 | 111.4 | A299 L300 E301 Q305 S306 A307 | A299-Q303 WeakPolarHBondContact O-CB 3.39Å; A299-Q303 PolarHBondContact O-N 3.22Å; L300-Q303 PolarHBondContact O-N 3.22Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 2.88Å; Q303-Q305 VanDerWaalsContact C-N 3.32Å; Q303-Q305 PolarHBondContact O-N 2.86Å; Q303-S306 PolarHBondContact O-N 2.9Å; Q303-S306 PolarHBondContact O-OG 3.15Å; Q303-A307 PolarHBondContact O-N 3.43Å |
| 304 | Q | 68.7 | Low | 68.5 | Low | 41 Ų | 41 | 78.3 Ų | 78.3 | 19% | 0.192 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.8 | -171.1 | -175.6 | -8.3 | 0 | 0 | 111.4 | L300 E301 S306 A307 L308 L471 Q475 | L300-Q304 WeakPolarHBondContact O-CB 3.47Å; L300-Q304 PolarHBondContact O-N 3.32Å; E301-Q304 PolarHBondContact O-N 2.93Å; Q304-S306 PolarHBondContact O-N 3.1Å; Q304-A307 PolarHBondContact O-N 3.07Å; Q304-L308 HydrophobicContact CG-CD1 4.38Å; Q304-L308 WeakPolarHBondContact O-CG 3.5Å; Q304-L308 PolarHBondContact O-N 3.34Å; Q304-L471 HydrophobicContact CB-CD1 4.32Å; Q304-L471 HydrophobicContact CG-CD1 3.51Å; Q304-Q475 HydrophobicContact CG-CG 4.45Å; Q304-Q475 VanDerWaalsContact NE2-NE2 3.14Å |
| 305 | Q | 69.8 | Low | 68 | Low | 144 Ų | 144 | 78.7 Ų | 78.7 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.7 | -36.2 | -180 | -138.3 | 140.8 | 16.2 | 0 | 0 | 112.2 | E301 Q302 Q303 S309 | E301-Q305 WeakPolarHBondContact O-CB 3.4Å; E301-Q305 PolarHBondContact O-N 3.38Å; Q302-Q305 PolarHBondContact O-N 3.17Å; Q303-Q305 VanDerWaalsContact C-N 3.32Å; Q303-Q305 PolarHBondContact O-N 2.86Å; Q305-S309 PolarHBondContact O-N 3.28Å; Q305-S309 VanDerWaalsContact O-N 3.15Å |
| 306 | S | 69.6 | Low | 67.1 | Low | 74 Ų | 74 | 74.5 Ų | 74.5 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.7 | -38 | 173.9 | 79.3 | 0 | 0 | 0 | 0 | 112.7 | Q302 Q303 Q304 S309 A310 | Q302-S306 PolarHBondContact O-N 3.15Å; Q302-S306 VanDerWaalsContact O-N 3.08Å; Q303-S306 PolarHBondContact O-N 2.9Å; Q303-S306 PolarHBondContact O-OG 3.15Å; Q304-S306 PolarHBondContact O-N 3.1Å; S306-S309 PolarHBondContact O-N 2.86Å; S306-A310 PolarHBondContact O-N 3.44Å; S306-A310 VanDerWaalsContact O-N 3.07Å |
| 307 | A | 61.7 | Low | 66.1 | Low | 19 Ų | 19 | 75.2 Ų | 75.2 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q303 Q304 A310 L311 L471 | Q303-A307 PolarHBondContact O-N 3.43Å; Q304-A307 PolarHBondContact O-N 3.07Å; A307-A310 PolarHBondContact O-N 3.38Å; A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 PolarHBondContact O-N 3.47Å; A307-L471 HydrophobicContact CB-CD1 3.96Å |
| 308 | L | 65.5 | Low | 65.2 | Low | 68 Ų | 68 | 81.8 Ų | 81.8 | 36% | 0.356 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 173.7 | -74 | 170.5 | 0 | 0 | 0 | 111.9 | Q304 A310 L311 E312 L471 | Q304-L308 HydrophobicContact CG-CD1 4.38Å; Q304-L308 WeakPolarHBondContact O-CG 3.5Å; Q304-L308 PolarHBondContact O-N 3.34Å; L308-A310 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 2.73Å; L308-L311 PolarHBondContact O-N 3.4Å; L308-L311 VanDerWaalsContact O-N 3.17Å; L308-E312 PolarHBondContact O-N 3.5Å; L308-L471 HydrophobicContact CD2-CD1 4.42Å; L308-L471 HydrophobicContact CD2-CD2 3.73Å; L308-L471 HydrophobicContact CG-CD1 4.17Å; L308-L471 HydrophobicContact CG-CD2 4.36Å |
| 309 | S | 66.1 | Low | 64.2 | Low | 58 Ų | 58 | 80.6 Ų | 80.6 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | Q305 S306 L311 E312 E313 | Q305-S309 PolarHBondContact O-N 3.28Å; Q305-S309 VanDerWaalsContact O-N 3.15Å; S306-S309 PolarHBondContact O-N 2.86Å; S309-L311 VanDerWaalsContact C-N 3.3Å; S309-L311 PolarHBondContact O-N 3.3Å; S309-E312 PolarHBondContact O-N 3.49Å; S309-E313 WeakPolarHBondContact O-CG 3.28Å; S309-E313 PolarHBondContact O-N 3.02Å; S309-E313 VanDerWaalsContact O-N 3.12Å |
| 310 | A | 63.3 | Low | 63.3 | Low | 35 Ų | 35 | 84.5 Ų | 84.5 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S306 A307 L308 E313 V314 | S306-A310 PolarHBondContact O-N 3.44Å; S306-A310 VanDerWaalsContact O-N 3.07Å; A307-A310 PolarHBondContact O-N 3.38Å; L308-A310 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 2.73Å; A310-E313 PolarHBondContact O-N 2.95Å; A310-V314 WeakPolarHBondContact O-CG2 3.44Å; A310-V314 PolarHBondContact O-N 2.99Å |
| 311 | L | 62.6 | Low | 62.6 | Low | 19 Ų | 19 | 87.9 Ų | 87.9 | 10% | 0.099 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 178.4 | -160.8 | 123.2 | 0 | 0 | 0 | 111.8 | A307 L308 S309 V314 Q315 L464 E468 | A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 PolarHBondContact O-N 3.47Å; L308-L311 PolarHBondContact O-N 3.4Å; L308-L311 VanDerWaalsContact O-N 3.17Å; S309-L311 VanDerWaalsContact C-N 3.3Å; S309-L311 PolarHBondContact O-N 3.3Å; L311-V314 PolarHBondContact O-N 3.28Å; L311-Q315 HydrophobicContact CD2-CG 4.42Å; L311-Q315 VanDerWaalsContact CD2-NE2 3.25Å; L311-Q315 WeakPolarHBondContact O-CB 3.37Å; L311-Q315 VanDerWaalsContact O-CG 3.31Å; L311-Q315 WeakPolarHBondContact O-CG 3.36Å; L311-Q315 PolarHBondContact O-N 3.35Å; L311-L464 HydrophobicContact CD1-CD2 4.29Å; L311-L464 HydrophobicContact CG-CD2 4.27Å; L311-E468 HydrophobicContact CD1-CG 3.59Å |
| 312 | E | 67.4 | Low | 61.7 | Low | 127 Ų | 127 | 91 Ų | 91 | 59% | 0.593 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 172.6 | -74.8 | 179.6 | -179.2 | 0 | 0 | 111.6 | L308 S309 V314 Q315 T316 | L308-E312 PolarHBondContact O-N 3.5Å; S309-E312 PolarHBondContact O-N 3.49Å; E312-V314 VanDerWaalsContact C-N 3.33Å; E312-V314 PolarHBondContact O-N 3.02Å; E312-Q315 PolarHBondContact O-N 3.14Å; E312-T316 VanDerWaalsContact O-CG2 3.28Å; E312-T316 WeakPolarHBondContact O-CG2 3.47Å; E312-T316 PolarHBondContact O-N 3.08Å; E312-T316 PolarHBondContact O-OG1 2.66Å |
| 313 | E | 61.4 | Low | 60.7 | Low | 130 Ų | 130 | 89.1 Ų | 89.1 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 176.7 | -75.4 | -179.4 | -171.4 | 0 | 0 | 112.1 | S309 A310 T316 F317 | S309-E313 WeakPolarHBondContact O-CG 3.28Å; S309-E313 PolarHBondContact O-N 3.02Å; S309-E313 VanDerWaalsContact O-N 3.12Å; A310-E313 PolarHBondContact O-N 2.95Å; E313-T316 PolarHBondContact O-OG1 3.29Å; E313-F317 PolarHBondContact O-N 2.98Å; E313-F317 VanDerWaalsContact O-N 3.11Å |
| 314 | V | 59.4 | Low | 59.6 | Low | 37 Ų | 37 | 88.8 Ų | 88.8 | 22% | 0.224 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -72.8 | -35.4 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | A310 L311 E312 F317 R318 L464 | A310-V314 WeakPolarHBondContact O-CG2 3.44Å; A310-V314 PolarHBondContact O-N 2.99Å; L311-V314 PolarHBondContact O-N 3.28Å; E312-V314 VanDerWaalsContact C-N 3.33Å; E312-V314 PolarHBondContact O-N 3.02Å; V314-F317 WeakPolarHBondContact O-CB 3.05Å; V314-F317 PolarHBondContact O-N 3.39Å; V314-R318 PolarHBondContact O-N 3.04Å; V314-L464 HydrophobicContact CB-CD2 3.92Å; V314-L464 HydrophobicContact CB-CG 4.38Å; V314-L464 HydrophobicContact CG1-CD1 3.6Å; V314-L464 HydrophobicContact CG1-CD2 3.69Å; V314-L464 HydrophobicContact CG1-CG 3.64Å |
| 315 | Q | 57.3 | Low | 58.8 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 174.6 | -76.6 | -177.6 | -3.9 | 0 | 0 | 111.7 | L311 E312 F317 R318 E319 | L311-Q315 HydrophobicContact CD2-CG 4.42Å; L311-Q315 VanDerWaalsContact CD2-NE2 3.25Å; L311-Q315 WeakPolarHBondContact O-CB 3.37Å; L311-Q315 VanDerWaalsContact O-CG 3.31Å; L311-Q315 WeakPolarHBondContact O-CG 3.36Å; L311-Q315 PolarHBondContact O-N 3.35Å; E312-Q315 PolarHBondContact O-N 3.14Å; Q315-F317 VanDerWaalsContact C-N 3.25Å; Q315-F317 PolarHBondContact O-N 3.47Å; Q315-R318 WeakPolarHBondContact O-CB 3.22Å; Q315-R318 PolarHBondContact O-N 3.41Å; Q315-R318 VanDerWaalsContact O-N 3.09Å; Q315-E319 WeakPolarHBondContact O-CG 3.12Å; Q315-E319 PolarHBondContact O-N 3.17Å |
| 316 | T | 54.3 | Low | 57.9 | Low | 61 Ų | 61 | 88.4 Ų | 88.4 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.8 | -33.1 | 175.6 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | E312 E313 K320 | E312-T316 VanDerWaalsContact O-CG2 3.28Å; E312-T316 WeakPolarHBondContact O-CG2 3.47Å; E312-T316 PolarHBondContact O-N 3.08Å; E312-T316 PolarHBondContact O-OG1 2.66Å; E313-T316 PolarHBondContact O-OG1 3.29Å; T316-K320 WeakPolarHBondContact O-CB 3.44Å; T316-K320 WeakPolarHBondContact O-CD 3.28Å; T316-K320 WeakPolarHBondContact O-CG 3.23Å; T316-K320 PolarHBondContact O-N 3.01Å |
| 317 | F | 53.1 | Low | 57 | Low | 124 Ų | 124 | 90.1 Ų | 90.1 | 54% | 0.544 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 172.5 | -172.9 | -95.8 | 0 | 0 | 0 | 111.7 | E313 V314 Q315 K320 H321 L460 | E313-F317 PolarHBondContact O-N 2.98Å; E313-F317 VanDerWaalsContact O-N 3.11Å; V314-F317 WeakPolarHBondContact O-CB 3.05Å; V314-F317 PolarHBondContact O-N 3.39Å; Q315-F317 VanDerWaalsContact C-N 3.25Å; Q315-F317 PolarHBondContact O-N 3.47Å; F317-K320 PolarHBondContact O-N 3.15Å; F317-H321 WeakPolarHBondContact O-CB 3.41Å; F317-H321 PolarHBondContact O-N 3.47Å; F317-L460 HydrophobicContact CE1-CD1 4.36Å |
| 318 | R | 54.6 | Low | 56.3 | Low | 150 Ų | 150 | 94.2 Ų | 94.2 | 57% | 0.566 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 176.6 | -165.2 | -178.8 | -169.4 | -177.9 | 8.2 | 112.1 | V314 Q315 H321 F322 E461 | V314-R318 PolarHBondContact O-N 3.04Å; Q315-R318 WeakPolarHBondContact O-CB 3.22Å; Q315-R318 PolarHBondContact O-N 3.41Å; Q315-R318 VanDerWaalsContact O-N 3.09Å; R318-H321 PolarHBondContact O-N 3.42Å; R318-F322 WeakPolarHBondContact O-CB 3.44Å; R318-F322 PolarHBondContact O-N 3.33Å; R318-E461 IonicContact NH2-OE1 2.79Å; R318-E461 PolarHBondContact NH2-OE1 2.73Å |
| 319 | E | 53.1 | Low | 55.5 | Low | 125 Ų | 125 | 95.7 Ų | 95.7 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 176 | -72.3 | -179.3 | 168 | 0 | 0 | 111.9 | Q315 H321 F322 L323 | Q315-E319 WeakPolarHBondContact O-CG 3.12Å; Q315-E319 PolarHBondContact O-N 3.17Å; E319-H321 VanDerWaalsContact C-N 3.34Å; E319-H321 PolarHBondContact O-N 2.96Å; E319-F322 PolarHBondContact O-N 3.46Å; E319-L323 WeakPolarHBondContact O-CB 3.22Å; E319-L323 PolarHBondContact O-N 3.28Å |
| 320 | K | 56.5 | Low | 54.8 | Low | 139 Ų | 139 | 98.9 Ų | 98.9 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 174.8 | -74 | 168.8 | -173.8 | 167.3 | 0 | 111.4 | T316 F317 L324 | T316-K320 WeakPolarHBondContact O-CB 3.44Å; T316-K320 WeakPolarHBondContact O-CD 3.28Å; T316-K320 WeakPolarHBondContact O-CG 3.23Å; T316-K320 PolarHBondContact O-N 3.01Å; F317-K320 PolarHBondContact O-N 3.15Å; K320-L324 WeakPolarHBondContact O-CB 3.45Å; K320-L324 PolarHBondContact O-N 3.32Å |
| 321 | H | 53.4 | Low | 54 | Low | 87 Ų | 87 | 99.8 Ų | 99.8 | 40% | 0.403 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 176.5 | -172.9 | -100.4 | 0 | 0 | 0 | 112.2 | F317 R318 E319 L324 L325 | F317-H321 WeakPolarHBondContact O-CB 3.41Å; F317-H321 PolarHBondContact O-N 3.47Å; R318-H321 PolarHBondContact O-N 3.42Å; E319-H321 VanDerWaalsContact C-N 3.34Å; E319-H321 PolarHBondContact O-N 2.96Å; H321-L324 WeakPolarHBondContact O-CB 3.37Å; H321-L324 PolarHBondContact O-N 3.37Å; H321-L325 PolarHBondContact O-N 2.86Å |
| 322 | F | 50.3 | Low | 53.2 | Low | 137 Ų | 137 | 102 Ų | 102 | 60% | 0.601 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 175.8 | -177 | -100.1 | 0 | 0 | 0 | 112.2 | R318 E319 L324 L325 L326 | R318-F322 WeakPolarHBondContact O-CB 3.44Å; R318-F322 PolarHBondContact O-N 3.33Å; E319-F322 PolarHBondContact O-N 3.46Å; F322-L324 VanDerWaalsContact C-N 3.27Å; F322-L324 PolarHBondContact O-N 2.74Å; F322-L325 PolarHBondContact O-N 3.37Å; F322-L326 WeakPolarHBondContact O-CB 3.36Å; F322-L326 PolarHBondContact O-N 3.31Å |
| 323 | L | 53.9 | Low | 52.5 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 172.4 | -87.2 | 157.9 | 0 | 0 | 0 | 111.6 | E319 L326 L327 | E319-L323 WeakPolarHBondContact O-CB 3.22Å; E319-L323 PolarHBondContact O-N 3.28Å; L323-L326 PolarHBondContact O-N 3.37Å; L323-L327 WeakPolarHBondContact O-CB 3.32Å; L323-L327 PolarHBondContact O-N 2.91Å |
| 324 | L | 50.6 | Low | 51.8 | Low | 98 Ų | 98 | 99.5 Ų | 99.5 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 176.6 | -145.6 | 93.8 | 0 | 0 | 0 | 111.9 | K320 H321 F322 L327 L328 I441 | K320-L324 WeakPolarHBondContact O-CB 3.45Å; K320-L324 PolarHBondContact O-N 3.32Å; H321-L324 WeakPolarHBondContact O-CB 3.37Å; H321-L324 PolarHBondContact O-N 3.37Å; F322-L324 VanDerWaalsContact C-N 3.27Å; F322-L324 PolarHBondContact O-N 2.74Å; L324-L327 PolarHBondContact O-N 2.88Å; L324-L328 PolarHBondContact O-N 3.08Å; L324-I441 HydrophobicContact CD1-CD1 4.49Å |
| 325 | L | 51.7 | Low | 51 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.3 | -86.2 | 160.6 | 0 | 0 | 0 | 112 | H321 F322 L328 N329 | H321-L325 PolarHBondContact O-N 2.86Å; F322-L325 PolarHBondContact O-N 3.37Å; L325-L328 PolarHBondContact O-N 2.96Å; L325-N329 WeakPolarHBondContact O-CB 3.43Å; L325-N329 PolarHBondContact O-N 3.19Å |
| 326 | L | 50.2 | Low | 50.5 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 177.6 | -165.2 | 70.9 | 0 | 0 | 0 | 111.7 | F322 L323 N329 Q330 | F322-L326 WeakPolarHBondContact O-CB 3.36Å; F322-L326 PolarHBondContact O-N 3.31Å; L323-L326 PolarHBondContact O-N 3.37Å; L326-N329 PolarHBondContact O-N 2.91Å; L326-Q330 PolarHBondContact O-N 3.4Å |
| 327 | L | 51.1 | Low | 50.2 | Low | 110 Ų | 110 | 107.6 Ų | 107.6 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.7 | -37.7 | 174 | -109.5 | 136 | 0 | 0 | 0 | 112.4 | L323 L324 N329 S331 | L323-L327 WeakPolarHBondContact O-CB 3.32Å; L323-L327 PolarHBondContact O-N 2.91Å; L324-L327 PolarHBondContact O-N 2.88Å; L327-N329 VanDerWaalsContact C-N 3.33Å; L327-S331 WeakPolarHBondContact O-CB 3.35Å; L327-S331 PolarHBondContact O-N 2.91Å; L327-S331 PolarHBondContact O-OG 2.85Å |
| 328 | L | 47.2 | Very low | 50 | Low | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 174.7 | -144.3 | 91.7 | 0 | 0 | 0 | 111.7 | L324 L325 S331 T332 | L324-L328 PolarHBondContact O-N 3.08Å; L325-L328 PolarHBondContact O-N 2.96Å; L328-S331 WeakPolarHBondContact CA-OG 3.26Å; L328-S331 PolarHBondContact O-OG 3.12Å; L328-T332 WeakPolarHBondContact O-CG2 3.32Å; L328-T332 PolarHBondContact O-N 3.19Å; L328-T332 VanDerWaalsContact O-N 3.13Å; L328-T332 PolarHBondContact O-OG1 3.46Å |
| 329 | N | 48.8 | Very low | 49.8 | Very low | 99 Ų | 99 | 102.2 Ų | 102.2 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.3 | -37.3 | 179 | -152.2 | 0.4 | 0 | 0 | 0 | 112.1 | L325 L326 L327 T332 L333 | L325-N329 WeakPolarHBondContact O-CB 3.43Å; L325-N329 PolarHBondContact O-N 3.19Å; L326-N329 PolarHBondContact O-N 2.91Å; L327-N329 VanDerWaalsContact C-N 3.33Å; N329-T332 WeakPolarHBondContact CA-OG1 3.49Å; N329-T332 PolarHBondContact O-OG1 3.03Å; N329-L333 WeakPolarHBondContact O-CB 3.43Å; N329-L333 PolarHBondContact O-N 3.13Å; N329-L333 VanDerWaalsContact O-N 3.1Å |
| 330 | Q | 50.3 | Low | 49.5 | Very low | 126 Ų | 126 | 105.4 Ų | 105.4 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 173 | -82.7 | -176.1 | -9.2 | 0 | 0 | 112.4 | L326 L333 F334 | L326-Q330 PolarHBondContact O-N 3.4Å; Q330-L333 PolarHBondContact O-N 2.9Å; Q330-F334 VanDerWaalsContact O-CB 3.3Å; Q330-F334 WeakPolarHBondContact O-CB 3.47Å; Q330-F334 PolarHBondContact O-N 3.49Å |
| 331 | S | 46.2 | Very low | 49.2 | Very low | 54 Ų | 54 | 103.7 Ų | 103.7 | 38% | 0.378 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -35.5 | 178.2 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | L327 L328 F334 M335 | L327-S331 WeakPolarHBondContact O-CB 3.35Å; L327-S331 PolarHBondContact O-N 2.91Å; L327-S331 PolarHBondContact O-OG 2.85Å; L328-S331 WeakPolarHBondContact CA-OG 3.26Å; L328-S331 PolarHBondContact O-OG 3.12Å; S331-F334 PolarHBondContact O-N 2.9Å; S331-M335 WeakPolarHBondContact O-CB 3.43Å; S331-M335 VanDerWaalsContact O-CG 3.31Å; S331-M335 WeakPolarHBondContact O-CG 3.44Å; S331-M335 PolarHBondContact O-N 2.84Å |
| 332 | T | 46.6 | Very low | 48.7 | Very low | 66 Ų | 66 | 102.9 Ų | 102.9 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 173.2 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | L328 N329 N336 | L328-T332 WeakPolarHBondContact O-CG2 3.32Å; L328-T332 PolarHBondContact O-N 3.19Å; L328-T332 VanDerWaalsContact O-N 3.13Å; L328-T332 PolarHBondContact O-OG1 3.46Å; N329-T332 WeakPolarHBondContact CA-OG1 3.49Å; N329-T332 PolarHBondContact O-OG1 3.03Å; T332-N336 WeakPolarHBondContact O-CB 3.4Å; T332-N336 PolarHBondContact O-N 3.47Å; T332-N336 PolarHBondContact O-ND2 3.42Å |
| 333 | L | 51.8 | Low | 48.4 | Very low | 113 Ų | 113 | 99.9 Ų | 99.9 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 170.8 | -83.9 | 162.2 | 0 | 0 | 0 | 112.3 | N329 Q330 N336 K337 | N329-L333 WeakPolarHBondContact O-CB 3.43Å; N329-L333 PolarHBondContact O-N 3.13Å; N329-L333 VanDerWaalsContact O-N 3.1Å; Q330-L333 PolarHBondContact O-N 2.9Å; L333-N336 PolarHBondContact O-N 3.43Å; L333-K337 WeakPolarHBondContact O-CB 3.4Å; L333-K337 PolarHBondContact O-N 2.92Å |
| 334 | F | 47.8 | Very low | 47.8 | Very low | 91 Ų | 91 | 100.6 Ų | 100.6 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 178.4 | -170.2 | -109.3 | 0 | 0 | 0 | 112 | Q330 S331 N336 K337 I338 T427 | Q330-F334 VanDerWaalsContact O-CB 3.3Å; Q330-F334 WeakPolarHBondContact O-CB 3.47Å; Q330-F334 PolarHBondContact O-N 3.49Å; S331-F334 PolarHBondContact O-N 2.9Å; F334-N336 PolarHBondContact O-N 3.33Å; F334-K337 WeakPolarHBondContact O-CB 3.44Å; F334-K337 PolarHBondContact O-N 2.84Å; F334-K337 VanDerWaalsContact O-N 3.11Å; F334-I338 HydrophobicContact CD1-CD1 3.65Å; F334-I338 HydrophobicContact CD1-CG1 4.46Å; F334-I338 HydrophobicContact CE1-CD1 3.35Å; F334-I338 HydrophobicContact CE1-CG1 4.28Å; F334-I338 HydrophobicContact CG-CD1 4.47Å; F334-I338 HydrophobicContact CZ-CD1 3.93Å; F334-I338 WeakPolarHBondContact O-CG1 3.49Å; F334-I338 PolarHBondContact O-N 3.33Å; F334-T427 HydrophobicContact CE1-CG2 4.08Å |
| 335 | M | 42.7 | Very low | 47.5 | Very low | 113 Ų | 113 | 100 Ų | 100 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 172.7 | -77.3 | -69.5 | -78.1 | 0 | 0 | 112 | S331 K337 I338 I339 | S331-M335 WeakPolarHBondContact O-CB 3.43Å; S331-M335 VanDerWaalsContact O-CG 3.31Å; S331-M335 WeakPolarHBondContact O-CG 3.44Å; S331-M335 PolarHBondContact O-N 2.84Å; M335-K337 VanDerWaalsContact C-N 3.29Å; M335-K337 PolarHBondContact O-N 3.41Å; M335-I338 PolarHBondContact O-N 2.89Å; M335-I339 WeakPolarHBondContact O-CD1 3.35Å; M335-I339 VanDerWaalsContact O-CG1 3.22Å; M335-I339 WeakPolarHBondContact O-CG1 3.47Å; M335-I339 PolarHBondContact O-N 3.48Å |
| 336 | N | 47.2 | Very low | 47.1 | Very low | 102 Ų | 102 | 106.1 Ų | 106.1 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -34 | 173.9 | -86.2 | -60.2 | 0 | 0 | 0 | 112.9 | T332 L333 F334 R340 | T332-N336 WeakPolarHBondContact O-CB 3.4Å; T332-N336 PolarHBondContact O-N 3.47Å; T332-N336 PolarHBondContact O-ND2 3.42Å; L333-N336 PolarHBondContact O-N 3.43Å; F334-N336 PolarHBondContact O-N 3.33Å; N336-R340 PolarHBondContact O-N 2.88Å; N336-R340 VanDerWaalsContact O-N 3.09Å |
| 337 | K | 47.3 | Very low | 46.6 | Very low | 142 Ų | 142 | 108.7 Ų | 108.7 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.1 | -39.7 | 177.2 | -145.6 | 169.5 | -173.6 | 178.7 | 0 | 111.6 | L333 F334 M335 R340 I341 | L333-K337 WeakPolarHBondContact O-CB 3.4Å; L333-K337 PolarHBondContact O-N 2.92Å; F334-K337 WeakPolarHBondContact O-CB 3.44Å; F334-K337 PolarHBondContact O-N 2.84Å; F334-K337 VanDerWaalsContact O-N 3.11Å; M335-K337 VanDerWaalsContact C-N 3.29Å; M335-K337 PolarHBondContact O-N 3.41Å; K337-R340 WeakPolarHBondContact O-CB 3.21Å; K337-R340 PolarHBondContact O-N 3.48Å; K337-I341 WeakPolarHBondContact O-CD1 3.41Å; K337-I341 VanDerWaalsContact O-CG1 3.26Å; K337-I341 WeakPolarHBondContact O-CG1 3.42Å; K337-I341 PolarHBondContact O-N 3.28Å |
| 338 | I | 48.4 | Very low | 46.4 | Very low | 70 Ų | 70 | 112 Ų | 112 | 36% | 0.359 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.5 | -42.8 | 173.7 | -70.9 | 174.3 | 0 | 0 | 0 | 111.3 | F334 M335 R340 I341 S342 | F334-I338 HydrophobicContact CD1-CD1 3.65Å; F334-I338 HydrophobicContact CD1-CG1 4.46Å; F334-I338 HydrophobicContact CE1-CD1 3.35Å; F334-I338 HydrophobicContact CE1-CG1 4.28Å; F334-I338 HydrophobicContact CG-CD1 4.47Å; F334-I338 HydrophobicContact CZ-CD1 3.93Å; F334-I338 WeakPolarHBondContact O-CG1 3.49Å; F334-I338 PolarHBondContact O-N 3.33Å; M335-I338 PolarHBondContact O-N 2.89Å; I338-R340 VanDerWaalsContact C-N 3.29Å; I338-R340 PolarHBondContact O-N 2.91Å; I338-I341 PolarHBondContact O-N 3.36Å; I338-S342 WeakPolarHBondContact O-CB 3.48Å; I338-S342 PolarHBondContact O-N 3.49Å |
| 339 | I | 50 | Low | 46 | Very low | 92 Ų | 92 | 111.7 Ų | 111.7 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.3 | -42.4 | 175.7 | -68.8 | 164.4 | 0 | 0 | 0 | 110 | M335 I341 S342 C343 | M335-I339 WeakPolarHBondContact O-CD1 3.35Å; M335-I339 VanDerWaalsContact O-CG1 3.22Å; M335-I339 WeakPolarHBondContact O-CG1 3.47Å; M335-I339 PolarHBondContact O-N 3.48Å; I339-I341 PolarHBondContact O-N 2.9Å; I339-S342 PolarHBondContact O-N 3.04Å; I339-C343 WeakPolarHBondContact O-CB 3.28Å; I339-C343 PolarHBondContact O-N 3.34Å; I339-C343 PolarHBondContact O-SG 2.85Å |
| 340 | R | 48 | Very low | 45.5 | Very low | 192 Ų | 192 | 111 Ų | 111 | 73% | 0.725 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.2 | -42.4 | 173.3 | -92.4 | -178.7 | 171.2 | 176.4 | -1.7 | 113.4 | N336 K337 I338 C343 L344 | N336-R340 PolarHBondContact O-N 2.88Å; N336-R340 VanDerWaalsContact O-N 3.09Å; K337-R340 WeakPolarHBondContact O-CB 3.21Å; K337-R340 PolarHBondContact O-N 3.48Å; I338-R340 VanDerWaalsContact C-N 3.29Å; I338-R340 PolarHBondContact O-N 2.91Å; R340-C343 PolarHBondContact O-N 3.4Å; R340-L344 WeakPolarHBondContact O-CD1 3.28Å; R340-L344 WeakPolarHBondContact O-CG 3.46Å; R340-L344 PolarHBondContact O-N 3.04Å |
| 341 | I | 50.3 | Low | 45 | Very low | 103 Ų | 103 | 113.5 Ų | 113.5 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.7 | -41.5 | 179.1 | -67.8 | 164 | 0 | 0 | 0 | 110.8 | K337 I338 I339 C343 L344 S345 | K337-I341 WeakPolarHBondContact O-CD1 3.41Å; K337-I341 VanDerWaalsContact O-CG1 3.26Å; K337-I341 WeakPolarHBondContact O-CG1 3.42Å; K337-I341 PolarHBondContact O-N 3.28Å; I338-I341 PolarHBondContact O-N 3.36Å; I339-I341 PolarHBondContact O-N 2.9Å; I341-C343 PolarHBondContact O-N 3.46Å; I341-L344 PolarHBondContact O-N 3Å; I341-S345 PolarHBondContact O-N 3.21Å; I341-S345 PolarHBondContact O-OG 3Å |
| 342 | S | 42.2 | Very low | 44.8 | Very low | 69 Ų | 69 | 119.3 Ų | 119.3 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.5 | -37.1 | 175.7 | -171 | 0 | 0 | 0 | 0 | 112.4 | I338 I339 R346 | I338-S342 WeakPolarHBondContact O-CB 3.48Å; I338-S342 PolarHBondContact O-N 3.49Å; I339-S342 PolarHBondContact O-N 3.04Å; S342-R346 PolarHBondContact O-N 3.47Å |
| 343 | C | 43.2 | Very low | 44.4 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 50% | 0.5 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.5 | -38 | 171.7 | -73.2 | 0 | 0 | 0 | 0 | 112.5 | I339 R340 I341 R346 M347 | I339-C343 WeakPolarHBondContact O-CB 3.28Å; I339-C343 PolarHBondContact O-N 3.34Å; I339-C343 PolarHBondContact O-SG 2.85Å; R340-C343 PolarHBondContact O-N 3.4Å; I341-C343 PolarHBondContact O-N 3.46Å; C343-R346 PolarHBondContact O-N 3.32Å; C343-M347 WeakPolarHBondContact O-CG 3.22Å |
| 344 | L | 43.1 | Very low | 43.9 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.8 | -38.5 | 177.2 | -78 | 162.1 | 0 | 0 | 0 | 112.7 | R340 I341 R346 M347 | R340-L344 WeakPolarHBondContact O-CD1 3.28Å; R340-L344 WeakPolarHBondContact O-CG 3.46Å; R340-L344 PolarHBondContact O-N 3.04Å; I341-L344 PolarHBondContact O-N 3Å; L344-R346 VanDerWaalsContact C-N 3.3Å; L344-R346 PolarHBondContact O-N 3.39Å; L344-M347 PolarHBondContact O-N 3.21Å; L344-M347 VanDerWaalsContact O-N 3.13Å |
| 345 | S | 43.7 | Very low | 43.2 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.6 | -28 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 113.3 | I341 M347 | I341-S345 PolarHBondContact O-N 3.21Å; I341-S345 PolarHBondContact O-OG 3Å; S345-M347 VanDerWaalsContact C-N 3.26Å; S345-M347 PolarHBondContact O-N 3.48Å |
| 346 | R | 43.9 | Very low | 43.2 | Very low | 222 Ų | 222 | 129.8 Ų | 129.8 | 84% | 0.838 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -15.1 | 172.9 | -92.4 | -179.6 | 170 | 173.3 | -2.1 | 113.9 | S342 C343 L344 | S342-R346 PolarHBondContact O-N 3.47Å; C343-R346 PolarHBondContact O-N 3.32Å; L344-R346 VanDerWaalsContact C-N 3.3Å; L344-R346 PolarHBondContact O-N 3.39Å |
| 347 | M | 38.1 | Very low | 42.7 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -9.9 | -178.7 | -70.6 | -178.7 | 64.3 | 0 | 0 | 114 | C343 L344 S345 | C343-M347 WeakPolarHBondContact O-CG 3.22Å; L344-M347 PolarHBondContact O-N 3.21Å; L344-M347 VanDerWaalsContact O-N 3.13Å; S345-M347 VanDerWaalsContact C-N 3.26Å; S345-M347 PolarHBondContact O-N 3.48Å |
| 348 | F | 47.2 | Very low | 42.1 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 78% | 0.781 | 68% | 0.682 | S | S | * | * | trans | -138 | 86.8 | 178.4 | -83.3 | -86.4 | 0 | 0 | 0 | 112.4 | A350 | F348-A350 PolarHBondContact O-N 3.01Š| ||
| 349 | P | 39.5 | Very low | 41.6 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -77.5 | 110.3 | 167.5 | 26.9 | -26 | 0 | 0 | 0 | 110.2 | E351 | P349-E351 PolarHBondContact O-N 3.21Å; P349-E351 VanDerWaalsContact O-N 3.16Å | ||
| 350 | A | 38.1 | Very low | 40.5 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -67 | -6.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F348 K352 | F348-A350 PolarHBondContact O-N 3.01Å; A350-K352 VanDerWaalsContact C-N 3.3Å; A350-K352 PolarHBondContact O-N 3.43Å |
| 351 | E | 39 | Very low | 39.7 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -74.6 | -10.8 | -178 | -74.1 | -177.4 | 152.9 | 0 | 0 | 114.9 | P349 | P349-E351 PolarHBondContact O-N 3.21Å; P349-E351 VanDerWaalsContact O-N 3.16Å |
| 352 | K | 41.9 | Very low | 39.1 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -90.1 | -6.7 | -176.5 | -100.1 | 179.6 | 179.5 | 175.5 | 0 | 116.2 | A350 | A350-K352 VanDerWaalsContact C-N 3.3Å; A350-K352 PolarHBondContact O-N 3.43Å |
| 353 | L | 38.2 | Very low | 38.6 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -102.2 | -18.8 | -176.9 | -69.3 | 177.9 | 0 | 0 | 0 | 114.8 | ||
| 354 | L | 41.1 | Very low | 38 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -90.4 | -18.7 | 178.5 | -68.7 | 170.7 | 0 | 0 | 0 | 113.9 | K356 | L354-K356 VanDerWaalsContact C-N 3.32Å; L354-K356 PolarHBondContact O-N 2.92Å |
| 355 | S | 35.1 | Very low | 37.4 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -7.7 | -179.2 | 175.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 356 | K | 41.4 | Very low | 36.8 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 3.4 | -175.8 | -82.2 | -171.1 | 176.5 | -176.9 | 0 | 116.3 | L354 | L354-K356 VanDerWaalsContact C-N 3.32Å; L354-K356 PolarHBondContact O-N 2.92Å |
| 357 | R | 36.5 | Very low | 36.1 | Very low | 242 Ų | 242 | 145.8 Ų | 145.8 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -113.3 | -5.4 | -178.9 | -157.3 | 157.3 | -174.2 | 175.3 | -0.5 | 116.4 | ||
| 358 | S | 35.8 | Very low | 35.6 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -110.5 | 67.9 | 172.9 | 57 | 0 | 0 | 0 | 0 | 112 | ||||
| 359 | R | 36.3 | Very low | 34.8 | Very low | 249 Ų | 249 | 141.7 Ų | 141.7 | 94% | 0.94 | 79% | 0.789 | S | S | * | * | trans | -148.1 | 81.6 | 161.7 | -144.4 | 178.5 | -169.4 | -175.4 | 2.9 | 110.8 | ||||
| 360 | A | 28.5 | Very low | 34.3 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -157.9 | 85.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 361 | S | 30.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -110.6 | 144.1 | 146.8 | -47.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 362 | P | 38 | Very low | 33.4 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -112.6 | 140 | 141.8 | 22.3 | -6.3 | 0 | 0 | 0 | 109.9 | ||||
| 363 | A | 30.4 | Very low | 32.9 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -86.7 | 149.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 364 | Q | 32.1 | Very low | 32.5 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 62 | 150.1 | 137.9 | -72.4 | -176.4 | -34.1 | 0 | 0 | 122.8 | ||||
| 365 | D | 30.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | 98 | 99.2 | 154.1 | -63.2 | -17.6 | 0 | 0 | 0 | 120.7 | ||||
| 366 | E | 31 | Very low | 33 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | 53.7 | 132.6 | 113.5 | -77.9 | -92.7 | 156.2 | 0 | 0 | 121.5 | |||||
| 367 | A | 29 | Very low | 32.4 | Very low | 77 Ų | 77 | 134 Ų | 134 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | 84.7 | 107.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 368 | S | 27.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | 101.5 | 140.7 | 116.2 | 75.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 369 | S | 29.8 | Very low | 33 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 99.6 | 115 | 153.1 | 73.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 370 | Q | 29.6 | Very low | 33.2 | Very low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -54.4 | 154.3 | 166.7 | -64 | 158.3 | -39.5 | 0 | 0 | 112.5 | ||||
| 371 | T | 28.5 | Very low | 34 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | 162.4 | 136.8 | 109.1 | 40.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 372 | D | 29.3 | Very low | 34.7 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | 66.8 | 105.1 | 139.5 | -57.6 | -21.3 | 0 | 0 | 0 | 123.6 | ||||
| 373 | A | 32.1 | Very low | 35.3 | Very low | 90 Ų | 90 | 120.2 Ų | 120.2 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | 39 | 123 | 115.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 374 | V | 29.8 | Very low | 36.3 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | 170.4 | 139.7 | 104 | 163.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 375 | S | 33.5 | Very low | 37.5 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -65.7 | -167.1 | -173.8 | -43.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 376 | P | 53.3 | Low | 38.8 | Very low | 131 Ų | 131 | 114.4 Ų | 114.4 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | cis | -134 | 164.3 | -49.4 | 30.3 | -11 | 0 | 0 | 0 | 115.6 | ||||
| 377 | G | 27.6 | Very low | 39.9 | Very low | 73 Ų | 73 | 108.7 Ų | 108.7 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | 112 | 159.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 378 | P | 42.1 | Very low | 41.3 | Very low | 125 Ų | 125 | 108.3 Ų | 108.3 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | cis | -111.2 | 164.9 | -32 | 36.3 | -21.3 | 0 | 0 | 0 | 112.3 | ||||
| 379 | S | 44.1 | Very low | 43.2 | Very low | 116 Ų | 116 | 105.5 Ų | 105.5 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | trans | -59.2 | 147.9 | 173.9 | 29.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 380 | P | 40.8 | Very low | 44.9 | Very low | 124 Ų | 124 | 105.7 Ų | 105.7 | 81% | 0.805 | 69% | 0.694 | S | S | * | * | trans | -104.8 | 144.2 | 143.7 | 31.4 | -18.8 | 0 | 0 | 0 | 110.6 | ||||
| 381 | A | 43.9 | Very low | 46.6 | Very low | 91 Ų | 91 | 102 Ų | 102 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 157.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 382 | P | 46.4 | Very low | 48.5 | Very low | 125 Ų | 125 | 101.9 Ų | 101.9 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137.4 | -171.6 | 30.8 | -32.5 | 0 | 0 | 0 | 111.1 | ||
| 383 | A | 50.5 | Low | 50.9 | Low | 79 Ų | 79 | 101.6 Ų | 101.6 | 65% | 0.653 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 132.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P385 | A383-P385 WeakPolarHBondContact O-CD 3.4Š|
| 384 | D | 51.3 | Low | 52.8 | Low | 127 Ų | 127 | 102.1 Ų | 102.1 | 68% | 0.679 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 118.4 | -175.8 | -121.9 | -22.2 | 0 | 0 | 0 | 110.7 | G386 S387 | D384-G386 PolarHBondContact O-N 2.79Å; D384-S387 PolarHBondContact O-N 3.5Å; D384-S387 PolarHBondContact O-OG 3.36Å |
| 385 | P | 56.6 | Low | 54.8 | Low | 100 Ų | 100 | 100 Ų | 100 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.4 | -19.8 | -174.8 | 18.5 | -28.9 | 0 | 0 | 0 | 113.7 | A383 A389 | A383-P385 WeakPolarHBondContact O-CD 3.4Å; P385-A389 PolarHBondContact O-N 3.45Å |
| 386 | G | 57.9 | Low | 56.9 | Low | 48 Ų | 48 | 101.6 Ų | 101.6 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.7 | -38.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D384 E390 | D384-G386 PolarHBondContact O-N 2.79Å; G386-E390 WeakPolarHBondContact O-CB 3.38Å; G386-E390 PolarHBondContact O-N 2.78Å; G386-E390 VanDerWaalsContact O-N 3.07Å |
| 387 | S | 54.2 | Low | 58.1 | Low | 62 Ų | 62 | 100.4 Ų | 100.4 | 43% | 0.434 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.5 | -33.5 | -176.8 | 65.3 | 0 | 0 | 0 | 0 | 113.3 | D384 L391 | D384-S387 PolarHBondContact O-N 3.5Å; D384-S387 PolarHBondContact O-OG 3.36Å; S387-L391 WeakPolarHBondContact O-CG 3.47Å; S387-L391 PolarHBondContact O-N 3.22Å; S387-L391 VanDerWaalsContact O-N 3.14Å |
| 388 | V | 58.3 | Low | 60.1 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 41% | 0.412 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.6 | -38.9 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | L391 Q392 | V388-L391 PolarHBondContact O-N 3.27Å; V388-Q392 WeakPolarHBondContact O-CB 3.38Å; V388-Q392 VanDerWaalsContact O-CG 3.3Å; V388-Q392 WeakPolarHBondContact O-CG 3.48Å; V388-Q392 PolarHBondContact O-N 2.94Å |
| 389 | A | 67.9 | Low | 61.8 | Low | 52 Ų | 52 | 100.6 Ų | 100.6 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.3 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P385 Q392 K393 | P385-A389 PolarHBondContact O-N 3.45Å; A389-Q392 PolarHBondContact O-N 3.26Å; A389-K393 WeakPolarHBondContact O-CB 3.38Å; A389-K393 PolarHBondContact O-N 3.11Å |
| 390 | E | 66.1 | Low | 63.4 | Low | 124 Ų | 124 | 98.7 Ų | 98.7 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.2 | -43.3 | 175.7 | -154.9 | 97.9 | -140.5 | 0 | 0 | 111.3 | G386 K393 Q394 | G386-E390 WeakPolarHBondContact O-CB 3.38Å; G386-E390 PolarHBondContact O-N 2.78Å; G386-E390 VanDerWaalsContact O-N 3.07Å; E390-K393 PolarHBondContact O-N 2.87Å; E390-Q394 WeakPolarHBondContact O-CG 3.24Å; E390-Q394 PolarHBondContact O-N 2.79Å |
| 391 | L | 63.5 | Low | 64.9 | Low | 98 Ų | 98 | 97 Ų | 97 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.8 | -37.9 | 175.9 | -75 | 171.1 | 0 | 0 | 0 | 112.3 | S387 V388 Q394 I395 | S387-L391 WeakPolarHBondContact O-CG 3.47Å; S387-L391 PolarHBondContact O-N 3.22Å; S387-L391 VanDerWaalsContact O-N 3.14Å; V388-L391 PolarHBondContact O-N 3.27Å; L391-Q394 PolarHBondContact O-N 2.9Å; L391-I395 WeakPolarHBondContact O-CB 3.37Å; L391-I395 WeakPolarHBondContact O-CD1 3.32Å; L391-I395 WeakPolarHBondContact O-CG1 3.32Å; L391-I395 PolarHBondContact O-N 3.27Å |
| 392 | Q | 69.7 | Low | 65.7 | Low | 115 Ų | 115 | 97.2 Ų | 97.2 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 173.8 | -79 | 174.2 | -18.4 | 0 | 0 | 111.5 | V388 A389 I395 E396 | V388-Q392 WeakPolarHBondContact O-CB 3.38Å; V388-Q392 VanDerWaalsContact O-CG 3.3Å; V388-Q392 WeakPolarHBondContact O-CG 3.48Å; V388-Q392 PolarHBondContact O-N 2.94Å; A389-Q392 PolarHBondContact O-N 3.26Å; Q392-I395 PolarHBondContact O-N 3.49Å; Q392-E396 PolarHBondContact O-N 3.2Å |
| 393 | K | 78.3 | Confident | 67.2 | Low | 140 Ų | 140 | 93.7 Ų | 93.7 | 61% | 0.609 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 175.9 | -168 | 179.3 | 179.7 | -175.6 | 0 | 112 | A389 E390 E396 E397 | A389-K393 WeakPolarHBondContact O-CB 3.38Å; A389-K393 PolarHBondContact O-N 3.11Å; E390-K393 PolarHBondContact O-N 2.87Å; K393-E396 PolarHBondContact O-N 3.41Å; K393-E397 VanDerWaalsContact O-CB 3.29Å; K393-E397 WeakPolarHBondContact O-CB 3.11Å; K393-E397 PolarHBondContact O-N 2.84Å |
| 394 | Q | 72.1 | Confident | 68.2 | Low | 101 Ų | 101 | 94.5 Ų | 94.5 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 174.4 | -74.9 | 177.3 | 1.4 | 0 | 0 | 112.4 | E390 L391 L398 | E390-Q394 WeakPolarHBondContact O-CG 3.24Å; E390-Q394 PolarHBondContact O-N 2.79Å; L391-Q394 PolarHBondContact O-N 2.9Å; Q394-L398 WeakPolarHBondContact O-CB 3.5Å; Q394-L398 VanDerWaalsContact O-CG 3.26Å; Q394-L398 WeakPolarHBondContact O-CG 3.5Å; Q394-L398 PolarHBondContact O-N 3.15Å |
| 395 | I | 73 | Confident | 68.8 | Low | 97 Ų | 97 | 93 Ų | 93 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 175.5 | -71.5 | 165.3 | 0 | 0 | 0 | 110.5 | L391 Q392 E397 L398 I399 | L391-I395 WeakPolarHBondContact O-CB 3.37Å; L391-I395 WeakPolarHBondContact O-CD1 3.32Å; L391-I395 WeakPolarHBondContact O-CG1 3.32Å; L391-I395 PolarHBondContact O-N 3.27Å; Q392-I395 PolarHBondContact O-N 3.49Å; I395-E397 VanDerWaalsContact C-N 3.34Å; I395-L398 PolarHBondContact O-N 3.08Å; I395-I399 HydrophobicContact CG2-CD1 3.72Å; I395-I399 HydrophobicContact CG2-CG1 4.41Å; I395-I399 WeakPolarHBondContact O-CB 3.39Å; I395-I399 WeakPolarHBondContact O-CD1 3.12Å; I395-I399 WeakPolarHBondContact O-CG1 3.36Å; I395-I399 PolarHBondContact O-N 3.37Å |
| 396 | E | 78 | Confident | 69.7 | Low | 138 Ų | 138 | 92.6 Ų | 92.6 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -39.1 | 175.5 | -78 | 177.6 | 172.9 | 0 | 0 | 112.1 | Q392 K393 I399 S400 | Q392-E396 PolarHBondContact O-N 3.2Å; K393-E396 PolarHBondContact O-N 3.41Å; E396-I399 PolarHBondContact O-N 2.85Å; E396-S400 WeakPolarHBondContact O-CB 3.46Å; E396-S400 PolarHBondContact O-N 3.2Å |
| 397 | E | 76.9 | Confident | 70.6 | Confident | 105 Ų | 105 | 95.9 Ų | 95.9 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 174.9 | -170.9 | 172.5 | -176.6 | 0 | 0 | 111.5 | K393 I395 I399 S400 Q401 | K393-E397 VanDerWaalsContact O-CB 3.29Å; K393-E397 WeakPolarHBondContact O-CB 3.11Å; K393-E397 PolarHBondContact O-N 2.84Å; I395-E397 VanDerWaalsContact C-N 3.34Å; E397-I399 VanDerWaalsContact C-N 3.34Å; E397-I399 PolarHBondContact O-N 3.5Å; E397-S400 WeakPolarHBondContact O-CB 3.26Å; E397-S400 PolarHBondContact O-N 3.33Å; E397-Q401 WeakPolarHBondContact O-CB 3.37Å; E397-Q401 VanDerWaalsContact O-CG 3.28Å; E397-Q401 WeakPolarHBondContact O-CG 3.38Å; E397-Q401 PolarHBondContact O-N 3.07Å |
| 398 | L | 70.9 | Confident | 71.2 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -32.3 | 174.1 | -74.5 | 171.2 | 0 | 0 | 0 | 112.7 | Q394 I395 N402 | Q394-L398 WeakPolarHBondContact O-CB 3.5Å; Q394-L398 VanDerWaalsContact O-CG 3.26Å; Q394-L398 WeakPolarHBondContact O-CG 3.5Å; Q394-L398 PolarHBondContact O-N 3.15Å; I395-L398 PolarHBondContact O-N 3.08Å; L398-N402 VanDerWaalsContact O-CB 3.27Å; L398-N402 WeakPolarHBondContact O-CB 3.47Å; L398-N402 VanDerWaalsContact O-CG 3.28Å; L398-N402 PolarHBondContact O-N 3.1Å; L398-N402 PolarHBondContact O-ND2 2.78Å |
| 399 | I | 78.1 | Confident | 71.5 | Confident | 106 Ų | 106 | 97.9 Ų | 97.9 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 173.3 | -71.8 | 164.5 | 0 | 0 | 0 | 109.9 | I395 E396 E397 N402 A403 | I395-I399 HydrophobicContact CG2-CD1 3.72Å; I395-I399 HydrophobicContact CG2-CG1 4.41Å; I395-I399 WeakPolarHBondContact O-CB 3.39Å; I395-I399 WeakPolarHBondContact O-CD1 3.12Å; I395-I399 WeakPolarHBondContact O-CG1 3.36Å; I395-I399 PolarHBondContact O-N 3.37Å; E396-I399 PolarHBondContact O-N 2.85Å; E397-I399 VanDerWaalsContact C-N 3.34Å; E397-I399 PolarHBondContact O-N 3.5Å; I399-N402 PolarHBondContact O-N 3.39Å; I399-A403 WeakPolarHBondContact O-CB 3.18Å; I399-A403 PolarHBondContact O-N 3.48Å |
| 400 | S | 77.3 | Confident | 71.3 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 175.1 | -176 | 0 | 0 | 0 | 0 | 111.7 | E396 E397 N402 A403 E404 | E396-S400 WeakPolarHBondContact O-CB 3.46Å; E396-S400 PolarHBondContact O-N 3.2Å; E397-S400 WeakPolarHBondContact O-CB 3.26Å; E397-S400 PolarHBondContact O-N 3.33Å; S400-N402 VanDerWaalsContact C-N 3.35Å; S400-N402 PolarHBondContact O-N 2.94Å; S400-A403 WeakPolarHBondContact O-CB 3.48Å; S400-A403 PolarHBondContact O-N 3.18Å; S400-E404 PolarHBondContact O-N 3.31Å |
| 401 | Q | 71.1 | Confident | 71.4 | Confident | 90 Ų | 90 | 96.8 Ų | 96.8 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.7 | -72.1 | 175.1 | 10.7 | 0 | 0 | 112.1 | E397 E404 L405 | E397-Q401 WeakPolarHBondContact O-CB 3.37Å; E397-Q401 VanDerWaalsContact O-CG 3.28Å; E397-Q401 WeakPolarHBondContact O-CG 3.38Å; E397-Q401 PolarHBondContact O-N 3.07Å; Q401-E404 PolarHBondContact O-N 3.49Å; Q401-L405 WeakPolarHBondContact O-CB 3.29Å; Q401-L405 VanDerWaalsContact O-CG 3.32Å; Q401-L405 WeakPolarHBondContact O-CG 3.39Å; Q401-L405 PolarHBondContact O-N 3.23Å |
| 402 | N | 60.8 | Low | 71.1 | Confident | 94 Ų | 94 | 97.5 Ų | 97.5 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 174.8 | -79.6 | -43.8 | 0 | 0 | 0 | 112.2 | L398 I399 S400 E404 L405 V406 | L398-N402 VanDerWaalsContact O-CB 3.27Å; L398-N402 WeakPolarHBondContact O-CB 3.47Å; L398-N402 VanDerWaalsContact O-CG 3.28Å; L398-N402 PolarHBondContact O-N 3.1Å; L398-N402 PolarHBondContact O-ND2 2.78Å; I399-N402 PolarHBondContact O-N 3.39Å; S400-N402 VanDerWaalsContact C-N 3.35Å; S400-N402 PolarHBondContact O-N 2.94Å; N402-E404 VanDerWaalsContact C-N 3.34Å; N402-L405 PolarHBondContact O-N 3.15Å; N402-V406 VanDerWaalsContact O-CG2 3.26Å; N402-V406 WeakPolarHBondContact O-CG2 3.43Å; N402-V406 PolarHBondContact O-N 3.08Å |
| 403 | A | 77.8 | Confident | 70.7 | Confident | 52 Ų | 52 | 97.7 Ų | 97.7 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I399 S400 V406 L407 | I399-A403 WeakPolarHBondContact O-CB 3.18Å; I399-A403 PolarHBondContact O-N 3.48Å; S400-A403 WeakPolarHBondContact O-CB 3.48Å; S400-A403 PolarHBondContact O-N 3.18Å; A403-V406 PolarHBondContact O-N 3.44Å; A403-L407 WeakPolarHBondContact O-CG 3.49Å; A403-L407 PolarHBondContact O-N 3.26Å |
| 404 | E | 71.5 | Confident | 70.2 | Confident | 95 Ų | 95 | 97.3 Ų | 97.3 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.6 | -160.4 | -169.3 | 156 | 0 | 0 | 112.1 | S400 Q401 N402 L407 K408 | S400-E404 PolarHBondContact O-N 3.31Å; Q401-E404 PolarHBondContact O-N 3.49Å; N402-E404 VanDerWaalsContact C-N 3.34Å; E404-L407 PolarHBondContact O-N 3.05Å; E404-K408 WeakPolarHBondContact O-CG 3.32Å; E404-K408 PolarHBondContact O-N 3.36Å; E404-K408 VanDerWaalsContact OE1-CE 3.29Å; E404-K408 WeakPolarHBondContact OE1-CE 3.4Å; E404-K408 IonicContact OE1-NZ 2.68Å; E404-K408 PolarHBondContact OE1-NZ 3.38Å |
| 405 | L | 65.1 | Low | 69.6 | Low | 97 Ų | 97 | 97.9 Ų | 97.9 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 174.4 | -75.7 | 172.5 | 0 | 0 | 0 | 112 | Q401 N402 L407 K408 V409 | Q401-L405 WeakPolarHBondContact O-CB 3.29Å; Q401-L405 VanDerWaalsContact O-CG 3.32Å; Q401-L405 WeakPolarHBondContact O-CG 3.39Å; Q401-L405 PolarHBondContact O-N 3.23Å; N402-L405 PolarHBondContact O-N 3.15Å; L405-L407 VanDerWaalsContact C-N 3.34Å; L405-K408 PolarHBondContact O-N 2.88Å; L405-V409 WeakPolarHBondContact O-CB 3.47Å; L405-V409 VanDerWaalsContact O-CG2 3.28Å; L405-V409 WeakPolarHBondContact O-CG2 3.46Å; L405-V409 PolarHBondContact O-N 3.48Å |
| 406 | V | 74.4 | Confident | 68.7 | Low | 91 Ų | 91 | 98.3 Ų | 98.3 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 174.4 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | N402 A403 K408 V409 T410 | N402-V406 VanDerWaalsContact O-CG2 3.26Å; N402-V406 WeakPolarHBondContact O-CG2 3.43Å; N402-V406 PolarHBondContact O-N 3.08Å; A403-V406 PolarHBondContact O-N 3.44Å; V406-K408 PolarHBondContact O-N 3.13Å; V406-V409 PolarHBondContact O-N 3.02Å; V406-T410 WeakPolarHBondContact O-CG2 3.47Å; V406-T410 PolarHBondContact O-N 3.17Å; V406-T410 PolarHBondContact O-OG1 2.75Å |
| 407 | L | 77.8 | Confident | 67.6 | Low | 117 Ų | 117 | 94.7 Ų | 94.7 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 175.3 | -73.7 | 171.5 | 0 | 0 | 0 | 112.5 | A403 E404 L405 V409 T410 E411 | A403-L407 WeakPolarHBondContact O-CG 3.49Å; A403-L407 PolarHBondContact O-N 3.26Å; E404-L407 PolarHBondContact O-N 3.05Å; L405-L407 VanDerWaalsContact C-N 3.34Å; L407-V409 VanDerWaalsContact C-N 3.35Å; L407-V409 PolarHBondContact O-N 3.19Å; L407-T410 VanDerWaalsContact CA-OG1 3.31Å; L407-T410 WeakPolarHBondContact CA-OG1 3.42Å; L407-T410 PolarHBondContact O-N 3.21Å; L407-T410 PolarHBondContact O-OG1 3.41Å; L407-E411 WeakPolarHBondContact O-CB 3.39Å; L407-E411 PolarHBondContact O-N 2.66Å |
| 408 | K | 67.4 | Low | 66.9 | Low | 97 Ų | 97 | 94.5 Ų | 94.5 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.4 | -76 | 172.9 | -175.4 | 163.7 | 0 | 112.1 | E404 L405 V406 L412 | E404-K408 WeakPolarHBondContact O-CG 3.32Å; E404-K408 PolarHBondContact O-N 3.36Å; E404-K408 VanDerWaalsContact OE1-CE 3.29Å; E404-K408 WeakPolarHBondContact OE1-CE 3.4Å; E404-K408 IonicContact OE1-NZ 2.68Å; E404-K408 PolarHBondContact OE1-NZ 3.38Å; L405-K408 PolarHBondContact O-N 2.88Å; V406-K408 PolarHBondContact O-N 3.13Å; K408-L412 WeakPolarHBondContact O-CB 3.39Å; K408-L412 WeakPolarHBondContact O-CG 3.4Å; K408-L412 PolarHBondContact O-N 3.46Å |
| 409 | V | 64.8 | Low | 66 | Low | 75 Ų | 75 | 96.3 Ų | 96.3 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | L405 V406 L407 E411 L412 E413 | L405-V409 WeakPolarHBondContact O-CB 3.47Å; L405-V409 VanDerWaalsContact O-CG2 3.28Å; L405-V409 WeakPolarHBondContact O-CG2 3.46Å; L405-V409 PolarHBondContact O-N 3.48Å; V406-V409 PolarHBondContact O-N 3.02Å; L407-V409 VanDerWaalsContact C-N 3.35Å; L407-V409 PolarHBondContact O-N 3.19Å; V409-E411 VanDerWaalsContact C-N 3.34Å; V409-E411 PolarHBondContact O-N 3.39Å; V409-L412 PolarHBondContact O-N 3.43Å; V409-E413 HydrophobicContact CG1-CG 4.45Å; V409-E413 WeakPolarHBondContact O-CB 3.4Å; V409-E413 WeakPolarHBondContact O-CG 3.32Å; V409-E413 PolarHBondContact O-N 3.31Å |
| 410 | T | 62.3 | Low | 64.6 | Low | 58 Ų | 58 | 96.8 Ų | 96.8 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.7 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | V406 L407 E413 E414 | V406-T410 WeakPolarHBondContact O-CG2 3.47Å; V406-T410 PolarHBondContact O-N 3.17Å; V406-T410 PolarHBondContact O-OG1 2.75Å; L407-T410 VanDerWaalsContact CA-OG1 3.31Å; L407-T410 WeakPolarHBondContact CA-OG1 3.42Å; L407-T410 PolarHBondContact O-N 3.21Å; L407-T410 PolarHBondContact O-OG1 3.41Å; T410-E413 PolarHBondContact O-N 3.39Å; T410-E414 WeakPolarHBondContact O-CG 3.35Å; T410-E414 PolarHBondContact O-N 3.01Å |
| 411 | E | 68.1 | Low | 63.7 | Low | 95 Ų | 95 | 99.9 Ų | 99.9 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 176.6 | -164.1 | -169.5 | 165.2 | 0 | 0 | 111.6 | L407 V409 K415 | L407-E411 WeakPolarHBondContact O-CB 3.39Å; L407-E411 PolarHBondContact O-N 2.66Å; V409-E411 VanDerWaalsContact C-N 3.34Å; V409-E411 PolarHBondContact O-N 3.39Å; E411-K415 HydrophobicContact CG-CD 4.49Å; E411-K415 WeakPolarHBondContact O-CB 3.18Å; E411-K415 VanDerWaalsContact O-CG 3.24Å; E411-K415 WeakPolarHBondContact O-CG 3.46Å; E411-K415 PolarHBondContact O-N 3.02Å; E411-K415 VanDerWaalsContact OE1-CE 3.29Å; E411-K415 WeakPolarHBondContact OE1-CE 3.44Å; E411-K415 IonicContact OE1-NZ 2.65Å; E411-K415 PolarHBondContact OE1-NZ 3.06Å |
| 412 | L | 56.9 | Low | 62.8 | Low | 113 Ų | 113 | 99.5 Ų | 99.5 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.1 | -37.3 | 173.9 | -74.1 | 172.3 | 0 | 0 | 0 | 112.1 | K408 V409 K415 L416 | K408-L412 WeakPolarHBondContact O-CB 3.39Å; K408-L412 WeakPolarHBondContact O-CG 3.4Å; K408-L412 PolarHBondContact O-N 3.46Å; V409-L412 PolarHBondContact O-N 3.43Å; L412-K415 PolarHBondContact O-N 3.03Å; L412-L416 VanDerWaalsContact O-CB 3.32Å; L412-L416 WeakPolarHBondContact O-CB 3.23Å; L412-L416 PolarHBondContact O-N 3.07Å |
| 413 | E | 61.5 | Low | 62.4 | Low | 118 Ų | 118 | 98.8 Ų | 98.8 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 173.5 | -75.1 | 178.4 | 168.3 | 0 | 0 | 110.9 | V409 T410 K415 L416 T417 | V409-E413 HydrophobicContact CG1-CG 4.45Å; V409-E413 WeakPolarHBondContact O-CB 3.4Å; V409-E413 WeakPolarHBondContact O-CG 3.32Å; V409-E413 PolarHBondContact O-N 3.31Å; T410-E413 PolarHBondContact O-N 3.39Å; E413-K415 PolarHBondContact O-N 2.93Å; E413-L416 WeakPolarHBondContact O-CB 3.31Å; E413-L416 PolarHBondContact O-N 3.49Å; E413-T417 VanDerWaalsContact O-CG2 3.31Å; E413-T417 WeakPolarHBondContact O-CG2 3.3Å; E413-T417 PolarHBondContact O-N 2.92Å |
| 414 | E | 67.5 | Low | 60.9 | Low | 132 Ų | 132 | 102.3 Ų | 102.3 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | 174.3 | -76.7 | -175 | 166.1 | 0 | 0 | 111.7 | T410 L416 T417 E418 | T410-E414 WeakPolarHBondContact O-CG 3.35Å; T410-E414 PolarHBondContact O-N 3.01Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 2.89Å; E414-T417 PolarHBondContact O-N 2.84Å; E414-T417 VanDerWaalsContact O-N 3.13Å; E414-T417 PolarHBondContact O-OG1 3.24Å; E414-E418 WeakPolarHBondContact O-CB 3.43Å; E414-E418 PolarHBondContact O-N 3.47Å |
| 415 | K | 59.8 | Low | 59.9 | Low | 113 Ų | 113 | 101.8 Ų | 101.8 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 174.7 | -75.5 | 171.7 | -175.4 | 168.4 | 0 | 112.2 | E411 L412 E413 R419 | E411-K415 HydrophobicContact CG-CD 4.49Å; E411-K415 WeakPolarHBondContact O-CB 3.18Å; E411-K415 VanDerWaalsContact O-CG 3.24Å; E411-K415 WeakPolarHBondContact O-CG 3.46Å; E411-K415 PolarHBondContact O-N 3.02Å; E411-K415 VanDerWaalsContact OE1-CE 3.29Å; E411-K415 WeakPolarHBondContact OE1-CE 3.44Å; E411-K415 IonicContact OE1-NZ 2.65Å; E411-K415 PolarHBondContact OE1-NZ 3.06Å; L412-K415 PolarHBondContact O-N 3.03Å; E413-K415 PolarHBondContact O-N 2.93Å; K415-R419 VanDerWaalsContact O-CB 3.25Å; K415-R419 WeakPolarHBondContact O-CB 3.2Å; K415-R419 PolarHBondContact O-N 2.89Å |
| 416 | L | 55.2 | Low | 58.9 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.4 | -44.2 | 175.1 | -165.3 | 94.9 | 0 | 0 | 0 | 111.1 | L412 E413 E414 R419 Q420 | L412-L416 VanDerWaalsContact O-CB 3.32Å; L412-L416 WeakPolarHBondContact O-CB 3.23Å; L412-L416 PolarHBondContact O-N 3.07Å; E413-L416 WeakPolarHBondContact O-CB 3.31Å; E413-L416 PolarHBondContact O-N 3.49Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 2.89Å; L416-R419 PolarHBondContact O-N 3.13Å; L416-Q420 WeakPolarHBondContact O-CB 3.45Å; L416-Q420 VanDerWaalsContact O-CG 3.28Å; L416-Q420 WeakPolarHBondContact O-CG 3.48Å; L416-Q420 PolarHBondContact O-N 3.22Å |
| 417 | T | 55.4 | Low | 57.5 | Low | 63 Ų | 63 | 99.3 Ų | 99.3 | 39% | 0.387 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 177.6 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | E413 E414 Q420 R421 | E413-T417 VanDerWaalsContact O-CG2 3.31Å; E413-T417 WeakPolarHBondContact O-CG2 3.3Å; E413-T417 PolarHBondContact O-N 2.92Å; E414-T417 PolarHBondContact O-N 2.84Å; E414-T417 VanDerWaalsContact O-N 3.13Å; E414-T417 PolarHBondContact O-OG1 3.24Å; T417-Q420 PolarHBondContact O-N 2.88Å; T417-R421 WeakPolarHBondContact O-CB 3.48Å; T417-R421 PolarHBondContact O-N 2.9Å |
| 418 | E | 61.4 | Low | 56.3 | Low | 100 Ų | 100 | 99.2 Ų | 99.2 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 174.6 | -174.7 | 124.7 | -120.9 | 0 | 0 | 110.9 | E414 Q420 R421 Q422 | E414-E418 WeakPolarHBondContact O-CB 3.43Å; E414-E418 PolarHBondContact O-N 3.47Å; E418-Q420 VanDerWaalsContact C-N 3.32Å; E418-Q420 PolarHBondContact O-N 3.46Å; E418-R421 WeakPolarHBondContact O-CB 3.48Å; E418-R421 PolarHBondContact O-N 2.95Å; E418-R421 VanDerWaalsContact O-N 3.14Å; E418-R421 IonicContact OE1-NH1 3.83Å; E418-R421 PolarHBondContact OE1-NH1 2.86Å; E418-Q422 WeakPolarHBondContact O-CG 3.43Å; E418-Q422 PolarHBondContact O-N 3.49Å |
| 419 | R | 52.4 | Low | 55.3 | Low | 135 Ų | 135 | 103.3 Ų | 103.3 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 175 | -167.9 | 64.5 | 177.2 | 152.4 | 2.9 | 112 | K415 L416 Q422 L423 | K415-R419 VanDerWaalsContact O-CB 3.25Å; K415-R419 WeakPolarHBondContact O-CB 3.2Å; K415-R419 PolarHBondContact O-N 2.89Å; L416-R419 PolarHBondContact O-N 3.13Å; R419-Q422 PolarHBondContact O-N 3.44Å; R419-L423 WeakPolarHBondContact O-CB 3.45Å; R419-L423 PolarHBondContact O-N 3.47Å |
| 420 | Q | 47.6 | Very low | 54.4 | Low | 116 Ų | 116 | 105.5 Ų | 105.5 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 172.9 | -75.4 | 173.5 | -0.9 | 0 | 0 | 111.8 | L416 T417 E418 L423 M424 | L416-Q420 WeakPolarHBondContact O-CB 3.45Å; L416-Q420 VanDerWaalsContact O-CG 3.28Å; L416-Q420 WeakPolarHBondContact O-CG 3.48Å; L416-Q420 PolarHBondContact O-N 3.22Å; T417-Q420 PolarHBondContact O-N 2.88Å; E418-Q420 VanDerWaalsContact C-N 3.32Å; E418-Q420 PolarHBondContact O-N 3.46Å; Q420-L423 PolarHBondContact O-N 2.96Å; Q420-M424 WeakPolarHBondContact O-CB 3.21Å; Q420-M424 PolarHBondContact O-N 3.4Å |
| 421 | R | 59.9 | Low | 53.5 | Low | 140 Ų | 140 | 106 Ų | 106 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 176.5 | -156.9 | -175.4 | -58.3 | 118.5 | 2.1 | 111.7 | T417 E418 M424 T425 | T417-R421 WeakPolarHBondContact O-CB 3.48Å; T417-R421 PolarHBondContact O-N 2.9Å; E418-R421 WeakPolarHBondContact O-CB 3.48Å; E418-R421 PolarHBondContact O-N 2.95Å; E418-R421 VanDerWaalsContact O-N 3.14Å; E418-R421 IonicContact OE1-NH1 3.83Å; E418-R421 PolarHBondContact OE1-NH1 2.86Å; R421-M424 WeakPolarHBondContact O-CB 3.44Å; R421-M424 PolarHBondContact O-N 3.11Å; R421-T425 WeakPolarHBondContact O-CG2 3.49Å; R421-T425 PolarHBondContact O-N 3.29Å; R421-T425 PolarHBondContact O-OG1 3.39Å |
| 422 | Q | 51.8 | Low | 52.5 | Low | 82 Ų | 82 | 111 Ų | 111 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 174.5 | -72.5 | 173.9 | 1.9 | 0 | 0 | 112.1 | E418 R419 M424 T425 E426 | E418-Q422 WeakPolarHBondContact O-CG 3.43Å; E418-Q422 PolarHBondContact O-N 3.49Å; R419-Q422 PolarHBondContact O-N 3.44Å; Q422-M424 VanDerWaalsContact C-N 3.28Å; Q422-M424 PolarHBondContact O-N 2.91Å; Q422-T425 WeakPolarHBondContact CA-OG1 3.35Å; Q422-T425 PolarHBondContact O-N 3.09Å; Q422-T425 PolarHBondContact O-OG1 2.92Å; Q422-E426 WeakPolarHBondContact O-CB 3.04Å; Q422-E426 WeakPolarHBondContact O-CG 3.42Å; Q422-E426 PolarHBondContact O-N 3.39Å |
| 423 | L | 51.5 | Low | 51.9 | Low | 79 Ų | 79 | 109.5 Ų | 109.5 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 175.4 | -102.8 | 150.5 | 0 | 0 | 0 | 111.7 | R419 Q420 T427 | R419-L423 WeakPolarHBondContact O-CB 3.45Å; R419-L423 PolarHBondContact O-N 3.47Å; Q420-L423 PolarHBondContact O-N 2.96Å; L423-T427 PolarHBondContact O-N 3.33Å; L423-T427 PolarHBondContact O-OG1 3.28Å |
| 424 | M | 45.6 | Very low | 51.1 | Low | 127 Ų | 127 | 109.4 Ų | 109.4 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -39.8 | 176.9 | -161.6 | 78.8 | 167.8 | 0 | 0 | 112.5 | Q420 R421 Q422 T427 L428 | Q420-M424 WeakPolarHBondContact O-CB 3.21Å; Q420-M424 PolarHBondContact O-N 3.4Å; R421-M424 WeakPolarHBondContact O-CB 3.44Å; R421-M424 PolarHBondContact O-N 3.11Å; Q422-M424 VanDerWaalsContact C-N 3.28Å; Q422-M424 PolarHBondContact O-N 2.91Å; M424-T427 WeakPolarHBondContact CA-OG1 3.46Å; M424-T427 PolarHBondContact O-OG1 3.28Å; M424-L428 WeakPolarHBondContact O-CG 3.49Å; M424-L428 PolarHBondContact O-N 3.23Å |
| 425 | T | 50.5 | Low | 50.1 | Low | 83 Ų | 83 | 112.7 Ų | 112.7 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.9 | -36.6 | 176.8 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | R421 Q422 L428 R429 | R421-T425 WeakPolarHBondContact O-CG2 3.49Å; R421-T425 PolarHBondContact O-N 3.29Å; R421-T425 PolarHBondContact O-OG1 3.39Å; Q422-T425 WeakPolarHBondContact CA-OG1 3.35Å; Q422-T425 PolarHBondContact O-N 3.09Å; Q422-T425 PolarHBondContact O-OG1 2.92Å; T425-L428 PolarHBondContact O-N 2.91Å; T425-R429 WeakPolarHBondContact O-CB 3.3Å; T425-R429 PolarHBondContact O-N 3.37Å |
| 426 | E | 45.7 | Very low | 49.5 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -45 | 171 | -76.4 | 175.4 | 173.1 | 0 | 0 | 111.3 | Q422 L428 R429 E430 | Q422-E426 WeakPolarHBondContact O-CB 3.04Å; Q422-E426 WeakPolarHBondContact O-CG 3.42Å; Q422-E426 PolarHBondContact O-N 3.39Å; E426-L428 VanDerWaalsContact C-N 3.32Å; E426-L428 PolarHBondContact O-N 2.69Å; E426-R429 WeakPolarHBondContact O-CB 3.07Å; E426-R429 PolarHBondContact O-N 3.3Å; E426-R429 VanDerWaalsContact O-N 3.13Å; E426-E430 WeakPolarHBondContact O-CG 3.13Å; E426-E430 PolarHBondContact O-N 3.31Å |
| 427 | T | 44.8 | Very low | 48.9 | Very low | 40 Ų | 40 | 111 Ų | 111 | 25% | 0.245 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 176.6 | 9.2 | 0 | 0 | 0 | 0 | 112.7 | F334 L423 M424 S431 | F334-T427 HydrophobicContact CE1-CG2 4.08Å; L423-T427 PolarHBondContact O-N 3.33Å; L423-T427 PolarHBondContact O-OG1 3.28Å; M424-T427 WeakPolarHBondContact CA-OG1 3.46Å; M424-T427 PolarHBondContact O-OG1 3.28Å; T427-S431 VanDerWaalsContact O-CB 3.26Å; T427-S431 WeakPolarHBondContact O-CB 3.36Å; T427-S431 PolarHBondContact O-N 2.9Å; T427-S431 PolarHBondContact O-OG 3.39Å |
| 428 | L | 51.6 | Low | 48.3 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -38.7 | 174.5 | -78.6 | 166.2 | 0 | 0 | 0 | 111.7 | M424 T425 E426 R432 | M424-L428 WeakPolarHBondContact O-CG 3.49Å; M424-L428 PolarHBondContact O-N 3.23Å; T425-L428 PolarHBondContact O-N 2.91Å; E426-L428 VanDerWaalsContact C-N 3.32Å; E426-L428 PolarHBondContact O-N 2.69Å; L428-R432 WeakPolarHBondContact O-CB 3.42Å; L428-R432 PolarHBondContact O-N 2.63Å |
| 429 | R | 47.8 | Very low | 47.6 | Very low | 183 Ų | 183 | 118 Ų | 118 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 175.9 | -175.4 | -178.7 | 170.2 | 104.5 | -0.8 | 111.3 | T425 E426 R432 L433 | T425-R429 WeakPolarHBondContact O-CB 3.3Å; T425-R429 PolarHBondContact O-N 3.37Å; E426-R429 WeakPolarHBondContact O-CB 3.07Å; E426-R429 PolarHBondContact O-N 3.3Å; E426-R429 VanDerWaalsContact O-N 3.13Å; R429-R432 WeakPolarHBondContact O-CB 3.45Å; R429-R432 PolarHBondContact O-N 3.43Å; R429-L433 HydrophobicContact CG-CD1 4.33Å; R429-L433 WeakPolarHBondContact O-CG 3.49Å; R429-L433 PolarHBondContact O-N 2.93Å |
| 430 | E | 45.6 | Very low | 47.2 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 176.2 | -72.9 | -177.8 | 166.5 | 0 | 0 | 112 | E426 R432 L433 H434 | E426-E430 WeakPolarHBondContact O-CG 3.13Å; E426-E430 PolarHBondContact O-N 3.31Å; E430-R432 VanDerWaalsContact C-N 3.27Å; E430-R432 PolarHBondContact O-N 3.39Å; E430-L433 PolarHBondContact O-N 3.14Å; E430-H434 VanDerWaalsContact O-CB 3.27Å; E430-H434 WeakPolarHBondContact O-CB 3.46Å; E430-H434 PolarHBondContact O-N 3.25Å |
| 431 | S | 42.9 | Very low | 47 | Very low | 69 Ų | 69 | 116.7 Ų | 116.7 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.4 | -33.8 | 174.4 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | T427 R435 | T427-S431 VanDerWaalsContact O-CB 3.26Å; T427-S431 WeakPolarHBondContact O-CB 3.36Å; T427-S431 PolarHBondContact O-N 2.9Å; T427-S431 PolarHBondContact O-OG 3.39Å; S431-R435 PolarHBondContact O-N 3.23Å |
| 432 | R | 46.3 | Very low | 46.2 | Very low | 200 Ų | 200 | 116.7 Ų | 116.7 | 76% | 0.755 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.6 | -44.3 | 175.8 | -154.5 | 178.6 | -152.2 | -179.6 | 6.1 | 111.2 | L428 R429 E430 R435 Q436 | L428-R432 WeakPolarHBondContact O-CB 3.42Å; L428-R432 PolarHBondContact O-N 2.63Å; R429-R432 WeakPolarHBondContact O-CB 3.45Å; R429-R432 PolarHBondContact O-N 3.43Å; E430-R432 VanDerWaalsContact C-N 3.27Å; E430-R432 PolarHBondContact O-N 3.39Å; R432-R435 PolarHBondContact O-N 3.36Å; R432-Q436 WeakPolarHBondContact O-CB 3.28Å; R432-Q436 PolarHBondContact O-N 3.02Å |
| 433 | L | 45.7 | Very low | 45.6 | Very low | 82 Ų | 82 | 120.2 Ų | 120.2 | 43% | 0.429 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -41.9 | 173.9 | -74.7 | 165.1 | 0 | 0 | 0 | 111.3 | R429 E430 R435 Q436 C437 | R429-L433 HydrophobicContact CG-CD1 4.33Å; R429-L433 WeakPolarHBondContact O-CG 3.49Å; R429-L433 PolarHBondContact O-N 2.93Å; E430-L433 PolarHBondContact O-N 3.14Å; L433-R435 PolarHBondContact O-N 3.05Å; L433-Q436 CarbonylContact O-C 3.6Å; L433-Q436 WeakPolarHBondContact O-CB 3.49Å; L433-Q436 PolarHBondContact O-N 3.19Å; L433-Q436 VanDerWaalsContact O-N 3.11Å; L433-C437 WeakPolarHBondContact O-CB 3.42Å; L433-C437 PolarHBondContact O-N 2.99Å; L433-C437 PolarHBondContact O-SG 3.46Å; L433-C437 VanDerWaalsContact O-SG 3.36Å |
| 434 | H | 44.8 | Very low | 45.2 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 53% | 0.532 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 175.3 | -171.4 | 77.8 | 0 | 0 | 0 | 111.8 | E430 Q436 K438 | E430-H434 VanDerWaalsContact O-CB 3.27Å; E430-H434 WeakPolarHBondContact O-CB 3.46Å; E430-H434 PolarHBondContact O-N 3.25Å; H434-Q436 VanDerWaalsContact C-N 3.34Å; H434-Q436 PolarHBondContact O-N 3.5Å; H434-K438 WeakPolarHBondContact O-CB 3.41Å; H434-K438 PolarHBondContact O-N 3.19Å |
| 435 | R | 46.8 | Very low | 45 | Very low | 202 Ų | 202 | 119.6 Ų | 119.6 | 76% | 0.762 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63 | -38.9 | 171.1 | -90.5 | -176.6 | 178.4 | 171.3 | 0.7 | 112.6 | S431 R432 L433 K438 Y439 | S431-R435 PolarHBondContact O-N 3.23Å; R432-R435 PolarHBondContact O-N 3.36Å; L433-R435 PolarHBondContact O-N 3.05Å; R435-K438 PolarHBondContact O-N 3.43Å; R435-Y439 WeakPolarHBondContact O-CB 3.41Å; R435-Y439 PolarHBondContact O-N 2.98Å |
| 436 | Q | 46.3 | Very low | 44.2 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 54% | 0.542 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.7 | -40.7 | -179.6 | -143.1 | 173.1 | 15.9 | 0 | 0 | 111.6 | R432 L433 H434 Y439 K440 | R432-Q436 WeakPolarHBondContact O-CB 3.28Å; R432-Q436 PolarHBondContact O-N 3.02Å; L433-Q436 CarbonylContact O-C 3.6Å; L433-Q436 WeakPolarHBondContact O-CB 3.49Å; L433-Q436 PolarHBondContact O-N 3.19Å; L433-Q436 VanDerWaalsContact O-N 3.11Å; H434-Q436 VanDerWaalsContact C-N 3.34Å; H434-Q436 PolarHBondContact O-N 3.5Å; Q436-Y439 PolarHBondContact O-N 3.03Å; Q436-K440 WeakPolarHBondContact O-CG 3.25Å; Q436-K440 PolarHBondContact O-N 2.88Å |
| 437 | C | 43.5 | Very low | 44 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 45% | 0.453 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -44.1 | 171.6 | -71 | 0 | 0 | 0 | 0 | 111.1 | L433 Y439 K440 I441 | L433-C437 WeakPolarHBondContact O-CB 3.42Å; L433-C437 PolarHBondContact O-N 2.99Å; L433-C437 PolarHBondContact O-SG 3.46Å; L433-C437 VanDerWaalsContact O-SG 3.36Å; C437-Y439 VanDerWaalsContact C-N 3.31Å; C437-Y439 PolarHBondContact O-N 3.48Å; C437-K440 PolarHBondContact O-N 3.05Å; C437-I441 WeakPolarHBondContact O-CB 3.33Å; C437-I441 WeakPolarHBondContact O-CD1 3.48Å; C437-I441 WeakPolarHBondContact O-CG1 3.48Å; C437-I441 PolarHBondContact O-N 3.09Å |
| 438 | K | 42.7 | Very low | 43.8 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 58% | 0.583 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.1 | -39.8 | 175.9 | -169.1 | 172.8 | -176.2 | 174.1 | 0 | 111.8 | H434 R435 H442 | H434-K438 WeakPolarHBondContact O-CB 3.41Å; H434-K438 PolarHBondContact O-N 3.19Å; R435-K438 PolarHBondContact O-N 3.43Å; K438-H442 VanDerWaalsContact O-CB 3.28Å; K438-H442 WeakPolarHBondContact O-CB 3.28Å; K438-H442 PolarHBondContact O-N 3.34Å |
| 439 | Y | 46.7 | Very low | 43.1 | Very low | 175 Ų | 175 | 130 Ų | 130 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.1 | -37.6 | 176.2 | -163.5 | -92.7 | 0 | 0 | 0 | 112.5 | R435 Q436 C437 K443 | R435-Y439 WeakPolarHBondContact O-CB 3.41Å; R435-Y439 PolarHBondContact O-N 2.98Å; Q436-Y439 PolarHBondContact O-N 3.03Å; C437-Y439 VanDerWaalsContact C-N 3.31Å; C437-Y439 PolarHBondContact O-N 3.48Å; Y439-K443 VanDerWaalsContact O-CB 3.28Å; Y439-K443 WeakPolarHBondContact O-CB 3.3Å; Y439-K443 PolarHBondContact O-N 3.04Å |
| 440 | K | 42.8 | Very low | 42.3 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 56% | 0.557 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.6 | -44.7 | 174.1 | -77 | -178.1 | 176.3 | -174.3 | 0 | 112 | Q436 C437 H442 K443 E444 | Q436-K440 WeakPolarHBondContact O-CG 3.25Å; Q436-K440 PolarHBondContact O-N 2.88Å; C437-K440 PolarHBondContact O-N 3.05Å; K440-H442 VanDerWaalsContact C-N 3.34Å; K440-H442 PolarHBondContact O-N 2.75Å; K440-K443 PolarHBondContact O-N 3.47Å; K440-E444 WeakPolarHBondContact O-CB 3.44Å; K440-E444 PolarHBondContact O-N 3.18Å |
| 441 | I | 44.5 | Very low | 41.6 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.7 | -39.4 | 175.9 | -66.5 | 164.3 | 0 | 0 | 0 | 111 | L324 C437 K443 G445 | L324-I441 HydrophobicContact CD1-CD1 4.49Å; C437-I441 WeakPolarHBondContact O-CB 3.33Å; C437-I441 WeakPolarHBondContact O-CD1 3.48Å; C437-I441 WeakPolarHBondContact O-CG1 3.48Å; C437-I441 PolarHBondContact O-N 3.09Å; I441-K443 VanDerWaalsContact C-N 3.32Å; I441-K443 PolarHBondContact O-N 3.07Å; I441-G445 WeakPolarHBondContact O-CA 3.49Å; I441-G445 PolarHBondContact O-N 3.26Å |
| 442 | H | 42.8 | Very low | 41.7 | Very low | 140 Ų | 140 | 123 Ų | 123 | 65% | 0.648 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.2 | -26.5 | 177.9 | -145.1 | -53.3 | 0 | 0 | 0 | 112.9 | K438 K440 S446 | K438-H442 VanDerWaalsContact O-CB 3.28Å; K438-H442 WeakPolarHBondContact O-CB 3.28Å; K438-H442 PolarHBondContact O-N 3.34Å; K440-H442 VanDerWaalsContact C-N 3.34Å; K440-H442 PolarHBondContact O-N 2.75Å; H442-S446 WeakPolarHBondContact O-CB 3.28Å; H442-S446 PolarHBondContact O-N 2.71Å |
| 443 | K | 39.8 | Very low | 41.2 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.2 | -35.9 | 175.5 | -169.4 | 178.2 | -179.1 | -175.1 | 0 | 112.1 | Y439 K440 I441 | Y439-K443 VanDerWaalsContact O-CB 3.28Å; Y439-K443 WeakPolarHBondContact O-CB 3.3Å; Y439-K443 PolarHBondContact O-N 3.04Å; K440-K443 PolarHBondContact O-N 3.47Å; I441-K443 VanDerWaalsContact C-N 3.32Å; I441-K443 PolarHBondContact O-N 3.07Å |
| 444 | E | 41.7 | Very low | 41.2 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.1 | -30.5 | 177 | -72.8 | 172.4 | 179.3 | 0 | 0 | 112.4 | K440 | K440-E444 WeakPolarHBondContact O-CB 3.44Å; K440-E444 PolarHBondContact O-N 3.18Å |
| 445 | G | 42.3 | Very low | 41 | Very low | 44 Ų | 44 | 122.1 Ų | 122.1 | 45% | 0.454 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -76.5 | -16.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I441 L447 L448 | I441-G445 WeakPolarHBondContact O-CA 3.49Å; I441-G445 PolarHBondContact O-N 3.26Å; G445-L447 PolarHBondContact O-N 3.17Å; G445-L448 PolarHBondContact O-N 3.36Å |
| 446 | S | 34.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 57% | 0.566 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -4.8 | 178.7 | -163.3 | 0 | 0 | 0 | 0 | 113.9 | H442 | H442-S446 WeakPolarHBondContact O-CB 3.28Å; H442-S446 PolarHBondContact O-N 2.71Å |
| 447 | L | 40.1 | Very low | 41.2 | Very low | 152 Ų | 152 | 114.4 Ų | 114.4 | 80% | 0.796 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -5.5 | 173.1 | -75.6 | 168.6 | 0 | 0 | 0 | 113.7 | G445 | G445-L447 PolarHBondContact O-N 3.17Š|
| 448 | L | 41.1 | Very low | 41.5 | Very low | 158 Ų | 158 | 112.9 Ų | 112.9 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -133.2 | 77.5 | 173.4 | -68.7 | 171.5 | 0 | 0 | 0 | 108.4 | G445 G450 | G445-L448 PolarHBondContact O-N 3.36Å; L448-G450 PolarHBondContact O-N 3.19Å |
| 449 | N | 36 | Very low | 41.9 | Very low | 164 Ų | 164 | 108.6 Ų | 108.6 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | trans | -80.7 | 119.2 | 178.8 | -144.3 | 13.9 | 0 | 0 | 0 | 109.7 | ||||
| 450 | G | 31 | Very low | 42.1 | Very low | 72 Ų | 72 | 103.2 Ų | 103.2 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 158.5 | 85.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L448 | L448-G450 PolarHBondContact O-N 3.19Š|
| 451 | G | 32.8 | Very low | 42.5 | Very low | 69 Ų | 69 | 102.2 Ų | 102.2 | 71% | 0.711 | 62% | 0.617 | S | S | * | * | trans | 78.8 | 113 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | D453 | G451-D453 PolarHBondContact O-N 3.38Å; G451-D453 VanDerWaalsContact O-N 3.14Å | ||
| 452 | G | 43.6 | Very low | 43.4 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | trans | -69.3 | 106.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 453 | D | 36.2 | Very low | 44.1 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 60% | 0.599 | 62% | 0.619 | S | S | * | * | trans | -135.2 | 138.5 | 165.1 | -83.1 | -44.4 | 0 | 0 | 0 | 110.3 | G451 E455 S456 | G451-D453 PolarHBondContact O-N 3.38Å; G451-D453 VanDerWaalsContact O-N 3.14Å; D453-E455 PolarHBondContact O-N 2.97Å; D453-S456 PolarHBondContact O-N 3.35Å | ||
| 454 | P | 45.4 | Very low | 44.8 | Very low | 109 Ų | 109 | 97 Ų | 97 | 71% | 0.708 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -8.6 | 178.4 | 25 | -31.2 | 0 | 0 | 0 | 113.8 | S456 T457 | P454-S456 VanDerWaalsContact C-N 3.25Å; P454-S456 PolarHBondContact O-N 3.48Å; P454-T457 PolarHBondContact O-N 3.07Å; P454-T457 PolarHBondContact O-OG1 3.37Å |
| 455 | E | 41.6 | Very low | 45.9 | Very low | 158 Ų | 158 | 96.2 Ų | 96.2 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.6 | -20.9 | 174.6 | -68.9 | -173.2 | 161.1 | 0 | 0 | 113.8 | D453 T457 G458 A459 | D453-E455 PolarHBondContact O-N 2.97Å; E455-T457 VanDerWaalsContact C-N 3.28Å; E455-T457 PolarHBondContact O-N 3.43Å; E455-G458 PolarHBondContact O-N 3.07Å; E455-A459 WeakPolarHBondContact O-CB 3.26Å; E455-A459 PolarHBondContact O-N 2.82Å |
| 456 | S | 48.3 | Very low | 47 | Very low | 79 Ų | 79 | 95.4 Ų | 95.4 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.8 | -23.8 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 113.7 | D453 P454 L460 | D453-S456 PolarHBondContact O-N 3.35Å; P454-S456 VanDerWaalsContact C-N 3.25Å; P454-S456 PolarHBondContact O-N 3.48Å; S456-L460 WeakPolarHBondContact O-CD1 3.31Å; S456-L460 WeakPolarHBondContact O-CG 3.45Å; S456-L460 PolarHBondContact O-N 3.45Å |
| 457 | T | 48.2 | Very low | 48 | Very low | 76 Ų | 76 | 94 Ų | 94 | 47% | 0.466 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -79.6 | -41.8 | 177.5 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | P454 E455 A459 L460 E461 | P454-T457 PolarHBondContact O-N 3.07Å; P454-T457 PolarHBondContact O-OG1 3.37Å; E455-T457 VanDerWaalsContact C-N 3.28Å; E455-T457 PolarHBondContact O-N 3.43Å; T457-A459 PolarHBondContact O-N 3.27Å; T457-L460 PolarHBondContact O-N 3.27Å; T457-E461 WeakPolarHBondContact O-CG 3.31Å; T457-E461 PolarHBondContact O-N 3.42Å |
| 458 | G | 49.3 | Very low | 48.7 | Very low | 35 Ų | 35 | 91.4 Ų | 91.4 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E455 L460 E461 E462 | E455-G458 PolarHBondContact O-N 3.07Å; G458-L460 VanDerWaalsContact C-N 3.28Å; G458-L460 PolarHBondContact O-N 2.88Å; G458-E461 PolarHBondContact O-N 3.35Å; G458-E462 WeakPolarHBondContact O-CB 3.23Å; G458-E462 PolarHBondContact O-N 3.24Å |
| 459 | A | 52.2 | Low | 50 | Low | 45 Ų | 45 | 89.8 Ų | 89.8 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -27.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E455 T457 K463 | E455-A459 WeakPolarHBondContact O-CB 3.26Å; E455-A459 PolarHBondContact O-N 2.82Å; T457-A459 PolarHBondContact O-N 3.27Å; A459-K463 WeakPolarHBondContact O-CB 3.43Å; A459-K463 WeakPolarHBondContact O-CD 3.47Å; A459-K463 WeakPolarHBondContact O-CG 3.42Å; A459-K463 PolarHBondContact O-N 3.09Å |
| 460 | L | 49.8 | Very low | 51.2 | Low | 62 Ų | 62 | 87.9 Ų | 87.9 | 33% | 0.325 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -79.6 | -37.7 | 173.7 | -79.1 | 166.6 | 0 | 0 | 0 | 111.8 | F317 S456 T457 G458 K463 L464 | F317-L460 HydrophobicContact CE1-CD1 4.36Å; S456-L460 WeakPolarHBondContact O-CD1 3.31Å; S456-L460 WeakPolarHBondContact O-CG 3.45Å; S456-L460 PolarHBondContact O-N 3.45Å; T457-L460 PolarHBondContact O-N 3.27Å; G458-L460 VanDerWaalsContact C-N 3.28Å; G458-L460 PolarHBondContact O-N 2.88Å; L460-K463 PolarHBondContact O-N 2.87Å; L460-L464 WeakPolarHBondContact O-CB 3.46Å; L460-L464 PolarHBondContact O-N 3.44Å |
| 461 | E | 51.3 | Low | 52.5 | Low | 107 Ų | 107 | 85.4 Ų | 85.4 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 174.8 | -72.1 | -176.1 | 160.7 | 0 | 0 | 112 | R318 T457 G458 L464 R465 | R318-E461 IonicContact NH2-OE1 2.79Å; R318-E461 PolarHBondContact NH2-OE1 2.73Å; T457-E461 WeakPolarHBondContact O-CG 3.31Å; T457-E461 PolarHBondContact O-N 3.42Å; G458-E461 PolarHBondContact O-N 3.35Å; E461-L464 PolarHBondContact O-N 3.09Å; E461-R465 WeakPolarHBondContact O-CB 3.28Å; E461-R465 PolarHBondContact O-N 3.13Å |
| 462 | E | 64.7 | Low | 53.9 | Low | 120 Ų | 120 | 84.8 Ų | 84.8 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.7 | -36.4 | 175.2 | -172.9 | 162.8 | -138 | 0 | 0 | 112.4 | G458 R465 G466 | G458-E462 WeakPolarHBondContact O-CB 3.23Å; G458-E462 PolarHBondContact O-N 3.24Å; E462-R465 IonicContact OE1-NH2 3.99Å; E462-R465 PolarHBondContact OE1-NH2 3.33Å; E462-G466 PolarHBondContact O-N 3.26Å |
| 463 | K | 57.6 | Low | 54.7 | Low | 144 Ų | 144 | 83.9 Ų | 83.9 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68 | -38.1 | 171.9 | -76.1 | 173.9 | -177.4 | 179.5 | 0 | 112.5 | A459 L460 G466 L467 | A459-K463 WeakPolarHBondContact O-CB 3.43Å; A459-K463 WeakPolarHBondContact O-CD 3.47Å; A459-K463 WeakPolarHBondContact O-CG 3.42Å; A459-K463 PolarHBondContact O-N 3.09Å; L460-K463 PolarHBondContact O-N 2.87Å; K463-G466 PolarHBondContact O-N 3.19Å; K463-L467 WeakPolarHBondContact O-CG 3.47Å; K463-L467 PolarHBondContact O-N 3.22Å |
| 464 | L | 53.5 | Low | 55.6 | Low | 19 Ų | 19 | 79 Ų | 79 | 10% | 0.099 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 173 | -89.4 | 167.6 | 0 | 0 | 0 | 111.3 | L311 V314 L460 E461 G466 L467 E468 | L311-L464 HydrophobicContact CD1-CD2 4.29Å; L311-L464 HydrophobicContact CG-CD2 4.27Å; V314-L464 HydrophobicContact CB-CD2 3.92Å; V314-L464 HydrophobicContact CB-CG 4.38Å; V314-L464 HydrophobicContact CG1-CD1 3.6Å; V314-L464 HydrophobicContact CG1-CD2 3.69Å; V314-L464 HydrophobicContact CG1-CG 3.64Å; L460-L464 WeakPolarHBondContact O-CB 3.46Å; L460-L464 PolarHBondContact O-N 3.44Å; E461-L464 PolarHBondContact O-N 3.09Å; L464-G466 VanDerWaalsContact C-N 3.3Å; L464-G466 PolarHBondContact O-N 3.05Å; L464-L467 PolarHBondContact O-N 2.96Å; L464-L467 VanDerWaalsContact O-N 3.14Å; L464-E468 WeakPolarHBondContact O-CG 3.39Å; L464-E468 PolarHBondContact O-N 3.38Å |
| 465 | R | 64 | Low | 56.1 | Low | 132 Ų | 132 | 77.5 Ų | 77.5 | 50% | 0.498 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 177.2 | -177 | 177.2 | 59.9 | -164.2 | -2.8 | 111.8 | E461 E462 L467 E468 E469 | E461-R465 WeakPolarHBondContact O-CB 3.28Å; E461-R465 PolarHBondContact O-N 3.13Å; E462-R465 IonicContact OE1-NH2 3.99Å; E462-R465 PolarHBondContact OE1-NH2 3.33Å; R465-L467 PolarHBondContact O-N 3.22Å; R465-E468 PolarHBondContact O-N 3Å; R465-E469 WeakPolarHBondContact O-CB 3.31Å; R465-E469 WeakPolarHBondContact O-CG 3.48Å; R465-E469 PolarHBondContact O-N 3.4Å |
| 466 | G | 65.4 | Low | 57.1 | Low | 27 Ų | 27 | 73.6 Ų | 73.6 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E462 K463 L464 Q470 | E462-G466 PolarHBondContact O-N 3.26Å; K463-G466 PolarHBondContact O-N 3.19Å; L464-G466 VanDerWaalsContact C-N 3.3Å; L464-G466 PolarHBondContact O-N 3.05Å; G466-Q470 WeakPolarHBondContact O-CB 3.28Å; G466-Q470 VanDerWaalsContact O-CG 3.25Å; G466-Q470 WeakPolarHBondContact O-CG 3.3Å; G466-Q470 PolarHBondContact O-N 3.13Å |
| 467 | L | 56.5 | Low | 58.1 | Low | 52 Ų | 52 | 73.8 Ų | 73.8 | 27% | 0.272 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.2 | -37.1 | 175.6 | -72.2 | 172.5 | 0 | 0 | 0 | 112.3 | K463 L464 R465 Q470 L471 | K463-L467 WeakPolarHBondContact O-CG 3.47Å; K463-L467 PolarHBondContact O-N 3.22Å; L464-L467 PolarHBondContact O-N 2.96Å; L464-L467 VanDerWaalsContact O-N 3.14Å; R465-L467 PolarHBondContact O-N 3.22Å; L467-Q470 PolarHBondContact O-N 3.48Å; L467-L471 VanDerWaalsContact O-CB 3.31Å; L467-L471 WeakPolarHBondContact O-CB 3.47Å; L467-L471 PolarHBondContact O-N 3.45Å |
| 468 | E | 53.5 | Low | 58.6 | Low | 97 Ų | 97 | 70.5 Ų | 70.5 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.6 | -72.9 | 172.9 | 171 | 0 | 0 | 111.7 | L311 L464 R465 L471 A472 | L311-E468 HydrophobicContact CD1-CG 3.59Å; L464-E468 WeakPolarHBondContact O-CG 3.39Å; L464-E468 PolarHBondContact O-N 3.38Å; R465-E468 PolarHBondContact O-N 3Å; E468-L471 PolarHBondContact O-N 3.42Å; E468-A472 WeakPolarHBondContact O-CB 3.48Å; E468-A472 PolarHBondContact O-N 3.17Å |
| 469 | E | 68.7 | Low | 59.2 | Low | 124 Ų | 124 | 74.3 Ų | 74.3 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.4 | -40.6 | 175.7 | -74.6 | 171.8 | -172.8 | 0 | 0 | 112.1 | R465 L471 A472 S473 | R465-E469 WeakPolarHBondContact O-CB 3.31Å; R465-E469 WeakPolarHBondContact O-CG 3.48Å; R465-E469 PolarHBondContact O-N 3.4Å; E469-L471 VanDerWaalsContact C-N 3.33Å; E469-L471 PolarHBondContact O-N 3.4Å; E469-A472 PolarHBondContact O-N 2.84Å; E469-S473 WeakPolarHBondContact O-CB 3.4Å; E469-S473 PolarHBondContact O-N 3.15Å |
| 470 | Q | 61.1 | Low | 60 | Low | 124 Ų | 124 | 77.8 Ų | 77.8 | 58% | 0.579 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.3 | -36.2 | 174.3 | -76.2 | 179.1 | -9.4 | 0 | 0 | 112.3 | G466 L467 S474 | G466-Q470 WeakPolarHBondContact O-CB 3.28Å; G466-Q470 VanDerWaalsContact O-CG 3.25Å; G466-Q470 WeakPolarHBondContact O-CG 3.3Å; G466-Q470 PolarHBondContact O-N 3.13Å; L467-Q470 PolarHBondContact O-N 3.48Å; Q470-S474 WeakPolarHBondContact O-CB 3.33Å; Q470-S474 PolarHBondContact O-N 2.95Å; Q470-S474 PolarHBondContact O-OG 3.38Å |
| 471 | L | 58.8 | Low | 60.7 | Low | 20 Ų | 20 | 75.6 Ų | 75.6 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 175 | -171.4 | 74.5 | 0 | 0 | 0 | 111.2 | Q304 A307 L308 L467 E468 E469 S474 Q475 | Q304-L471 HydrophobicContact CB-CD1 4.32Å; Q304-L471 HydrophobicContact CG-CD1 3.51Å; A307-L471 HydrophobicContact CB-CD1 3.96Å; L308-L471 HydrophobicContact CD2-CD1 4.42Å; L308-L471 HydrophobicContact CD2-CD2 3.73Å; L308-L471 HydrophobicContact CG-CD1 4.17Å; L308-L471 HydrophobicContact CG-CD2 4.36Å; L467-L471 VanDerWaalsContact O-CB 3.31Å; L467-L471 WeakPolarHBondContact O-CB 3.47Å; L467-L471 PolarHBondContact O-N 3.45Å; E468-L471 PolarHBondContact O-N 3.42Å; E469-L471 VanDerWaalsContact C-N 3.33Å; E469-L471 PolarHBondContact O-N 3.4Å; L471-S474 WeakPolarHBondContact CA-OG 3.49Å; L471-S474 PolarHBondContact O-N 3.41Å; L471-S474 PolarHBondContact O-OG 2.81Å; L471-S474 VanDerWaalsContact O-OG 3.04Å; L471-Q475 WeakPolarHBondContact O-CB 3.48Å; L471-Q475 WeakPolarHBondContact O-CG 3.19Å; L471-Q475 PolarHBondContact O-N 3.38Å |
| 472 | A | 61.7 | Low | 61 | Low | 56 Ų | 56 | 74.1 Ų | 74.1 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E468 E469 Q475 S476 | E468-A472 WeakPolarHBondContact O-CB 3.48Å; E468-A472 PolarHBondContact O-N 3.17Å; E469-A472 PolarHBondContact O-N 2.84Å; A472-Q475 PolarHBondContact O-N 3.2Å; A472-S476 PolarHBondContact O-N 3.14Å |
| 473 | S | 61.5 | Low | 61 | Low | 64 Ų | 64 | 72.3 Ų | 72.3 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.6 | -170 | 0 | 0 | 0 | 0 | 111.7 | E469 Q475 S476 E477 | E469-S473 WeakPolarHBondContact O-CB 3.4Å; E469-S473 PolarHBondContact O-N 3.15Å; S473-Q475 VanDerWaalsContact C-N 3.35Å; S473-Q475 PolarHBondContact O-N 2.84Å; S473-S476 PolarHBondContact O-N 3.22Å; S473-E477 WeakPolarHBondContact O-CG 3.46Å; S473-E477 PolarHBondContact O-N 3.43Å |
| 474 | S | 53.7 | Low | 61.3 | Low | 10 Ų | 10 | 70 Ų | 70 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68 | -32.2 | 179.5 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | Q470 L471 L478 | Q470-S474 WeakPolarHBondContact O-CB 3.33Å; Q470-S474 PolarHBondContact O-N 2.95Å; Q470-S474 PolarHBondContact O-OG 3.38Å; L471-S474 WeakPolarHBondContact CA-OG 3.49Å; L471-S474 PolarHBondContact O-N 3.41Å; L471-S474 PolarHBondContact O-OG 2.81Å; L471-S474 VanDerWaalsContact O-OG 3.04Å; S474-L478 WeakPolarHBondContact O-CB 3.35Å; S474-L478 PolarHBondContact O-N 3.24Å |
| 475 | Q | 56.7 | Low | 61.6 | Low | 76 Ų | 76 | 71.5 Ų | 71.5 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 172.2 | -77.3 | 173.2 | 7.2 | 0 | 0 | 112.3 | Q304 L471 A472 S473 L478 E479 | Q304-Q475 HydrophobicContact CG-CG 4.45Å; Q304-Q475 VanDerWaalsContact NE2-NE2 3.14Å; L471-Q475 WeakPolarHBondContact O-CB 3.48Å; L471-Q475 WeakPolarHBondContact O-CG 3.19Å; L471-Q475 PolarHBondContact O-N 3.38Å; A472-Q475 PolarHBondContact O-N 3.2Å; S473-Q475 VanDerWaalsContact C-N 3.35Å; S473-Q475 PolarHBondContact O-N 2.84Å; Q475-L478 WeakPolarHBondContact O-CB 3.4Å; Q475-L478 PolarHBondContact O-N 3.38Å; Q475-E479 WeakPolarHBondContact O-CG 3.41Å; Q475-E479 PolarHBondContact O-N 3.42Å |
| 476 | S | 62.3 | Low | 61.2 | Low | 76 Ų | 76 | 73 Ų | 73 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | A472 S473 L478 E479 E480 | A472-S476 PolarHBondContact O-N 3.14Å; S473-S476 PolarHBondContact O-N 3.22Å; S476-L478 VanDerWaalsContact C-N 3.32Å; S476-L478 PolarHBondContact O-N 3.42Å; S476-E479 PolarHBondContact O-N 2.64Å; S476-E480 WeakPolarHBondContact O-CB 3.29Å; S476-E480 PolarHBondContact O-N 3.07Å |
| 477 | E | 69.1 | Low | 60.9 | Low | 83 Ų | 83 | 76.1 Ų | 76.1 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 176.3 | -73.1 | 178.9 | -150.2 | 0 | 0 | 112.3 | S473 L481 | S473-E477 WeakPolarHBondContact O-CG 3.46Å; S473-E477 PolarHBondContact O-N 3.43Å; E477-L481 WeakPolarHBondContact O-CB 3.42Å; E477-L481 WeakPolarHBondContact O-CG 3.43Å; E477-L481 PolarHBondContact O-N 3.15Å |
| 478 | L | 58.4 | Low | 60.7 | Low | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 176.4 | -170.4 | 85.4 | 0 | 0 | 0 | 111.7 | I297 L300 E301 S474 Q475 S476 L481 K482 | I297-L478 HydrophobicContact CB-CD1 4.46Å; I297-L478 HydrophobicContact CG2-CD1 3.97Å; L300-L478 HydrophobicContact CB-CD1 3.93Å; E301-L478 HydrophobicContact CG-CD1 3.67Å; E301-L478 HydrophobicContact CG-CD2 4.19Å; S474-L478 WeakPolarHBondContact O-CB 3.35Å; S474-L478 PolarHBondContact O-N 3.24Å; Q475-L478 WeakPolarHBondContact O-CB 3.4Å; Q475-L478 PolarHBondContact O-N 3.38Å; S476-L478 VanDerWaalsContact C-N 3.32Å; S476-L478 PolarHBondContact O-N 3.42Å; L478-L481 PolarHBondContact O-N 3.33Å; L478-K482 HydrophobicContact CD2-CD 4.37Å; L478-K482 VanDerWaalsContact CD2-NZ 3.29Å; L478-K482 HydrophobicContact CG-CD 4.17Å; L478-K482 WeakPolarHBondContact O-CB 3.42Å; L478-K482 VanDerWaalsContact O-CG 3.27Å; L478-K482 WeakPolarHBondContact O-CG 3.37Å; L478-K482 PolarHBondContact O-N 3.49Å |
| 479 | E | 63.6 | Low | 60.3 | Low | 115 Ų | 115 | 74.7 Ų | 74.7 | 54% | 0.537 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 178.8 | -72.7 | -57.2 | 139.7 | 0 | 0 | 111.6 | Q475 S476 L481 K482 E483 | Q475-E479 WeakPolarHBondContact O-CG 3.41Å; Q475-E479 PolarHBondContact O-N 3.42Å; S476-E479 PolarHBondContact O-N 2.64Å; E479-L481 PolarHBondContact O-N 2.69Å; E479-K482 PolarHBondContact O-N 2.94Å; E479-E483 WeakPolarHBondContact O-CB 3.25Å; E479-E483 PolarHBondContact O-N 2.89Å |
| 480 | E | 68.9 | Low | 58.8 | Low | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 174.9 | -167.5 | 178.2 | 177.7 | 0 | 0 | 111.8 | S476 E483 Q484 | S476-E480 WeakPolarHBondContact O-CB 3.29Å; S476-E480 PolarHBondContact O-N 3.07Å; E480-E483 PolarHBondContact O-N 3.43Å; E480-Q484 WeakPolarHBondContact O-CB 3.29Å; E480-Q484 VanDerWaalsContact O-CG 3.26Å; E480-Q484 WeakPolarHBondContact O-CG 3.48Å; E480-Q484 PolarHBondContact O-N 3.42Å |
| 481 | L | 63 | Low | 57.8 | Low | 17 Ų | 17 | 71.6 Ų | 71.6 | 9% | 0.089 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69 | -35.1 | 176.4 | -70.6 | 170.7 | 0 | 0 | 0 | 112.7 | L293 K296 I297 L300 E477 L478 E479 M485 | L293-L481 HydrophobicContact CD2-CD2 3.84Å; K296-L481 HydrophobicContact CD-CD1 4.05Å; K296-L481 HydrophobicContact CG-CD1 4.29Å; I297-L481 HydrophobicContact CD1-CB 4.31Å; I297-L481 HydrophobicContact CG1-CB 4.1Å; L300-L481 HydrophobicContact CD1-CD1 3.77Å; E477-L481 WeakPolarHBondContact O-CB 3.42Å; E477-L481 WeakPolarHBondContact O-CG 3.43Å; E477-L481 PolarHBondContact O-N 3.15Å; L478-L481 PolarHBondContact O-N 3.33Å; E479-L481 PolarHBondContact O-N 2.69Å; L481-M485 WeakPolarHBondContact O-CG 3.35Å; L481-M485 PolarHBondContact O-N 3.24Å; L481-M485 VanDerWaalsContact O-N 3.08Å |
| 482 | K | 57.8 | Low | 57.1 | Low | 75 Ų | 75 | 75.8 Ų | 75.8 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 174.3 | -77.5 | 174.3 | 177.6 | 177.8 | 0 | 111.4 | I297 E301 L478 E479 M485 R486 | I297-K482 HydrophobicContact CD1-CG 4.31Å; E301-K482 WeakPolarHBondContact OE1-CE 3.49Å; E301-K482 IonicContact OE1-NZ 3.39Å; E301-K482 PolarHBondContact OE1-NZ 3.21Å; L478-K482 HydrophobicContact CD2-CD 4.37Å; L478-K482 VanDerWaalsContact CD2-NZ 3.29Å; L478-K482 HydrophobicContact CG-CD 4.17Å; L478-K482 WeakPolarHBondContact O-CB 3.42Å; L478-K482 VanDerWaalsContact O-CG 3.27Å; L478-K482 WeakPolarHBondContact O-CG 3.37Å; L478-K482 PolarHBondContact O-N 3.49Å; E479-K482 PolarHBondContact O-N 2.94Å; K482-M485 WeakPolarHBondContact O-CB 3.33Å; K482-M485 PolarHBondContact O-N 3.45Å; K482-R486 PolarHBondContact O-N 3.45Å |
| 483 | E | 65.4 | Low | 56 | Low | 82 Ų | 82 | 80.2 Ų | 80.2 | 38% | 0.383 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.5 | -37.6 | 177.4 | -166.2 | 62.4 | -167 | 0 | 0 | 111.7 | E479 E480 M485 R486 L487 | E479-E483 WeakPolarHBondContact O-CB 3.25Å; E479-E483 PolarHBondContact O-N 2.89Å; E480-E483 PolarHBondContact O-N 3.43Å; E483-M485 VanDerWaalsContact C-N 3.28Å; E483-M485 PolarHBondContact O-N 3.04Å; E483-R486 WeakPolarHBondContact O-CB 3.28Å; E483-R486 PolarHBondContact O-N 3.47Å; E483-R486 WeakPolarHBondContact OE2-CD 3.43Å; E483-R486 IonicContact OE2-NH1 3.13Å; E483-L487 HydrophobicContact CG-CD1 4.32Å; E483-L487 WeakPolarHBondContact O-CG 3.35Å; E483-L487 PolarHBondContact O-N 3.01Å |
| 484 | Q | 63.7 | Low | 54.7 | Low | 97 Ų | 97 | 82.2 Ų | 82.2 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 170.1 | -76.1 | 175.3 | 8.7 | 0 | 0 | 111.9 | E480 G488 | E480-Q484 WeakPolarHBondContact O-CB 3.29Å; E480-Q484 VanDerWaalsContact O-CG 3.26Å; E480-Q484 WeakPolarHBondContact O-CG 3.48Å; E480-Q484 PolarHBondContact O-N 3.42Å; Q484-G488 PolarHBondContact O-N 3.21Å |
| 485 | M | 58.7 | Low | 53.9 | Low | 50 Ų | 50 | 85.6 Ų | 85.6 | 25% | 0.246 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 172.1 | -80.9 | -172.9 | 44.5 | 0 | 0 | 113 | L294 I297 L481 K482 E483 V489 | L294-M485 HydrophobicContact CD2-CE 3.72Å; L294-M485 HydrophobicContact CD2-SD 3.95Å; L294-M485 HydrophobicContact CG-CE 4.3Å; L294-M485 HydrophobicContact CG-SD 4.27Å; I297-M485 HydrophobicContact CD1-SD 3.42Å; I297-M485 WeakPolarHBondContact CD1-SD 3.37Å; L481-M485 WeakPolarHBondContact O-CG 3.35Å; L481-M485 PolarHBondContact O-N 3.24Å; L481-M485 VanDerWaalsContact O-N 3.08Å; K482-M485 WeakPolarHBondContact O-CB 3.33Å; K482-M485 PolarHBondContact O-N 3.45Å; E483-M485 VanDerWaalsContact C-N 3.28Å; E483-M485 PolarHBondContact O-N 3.04Å; M485-V489 WeakPolarHBondContact O-CG2 3.47Å; M485-V489 PolarHBondContact O-N 3.31Å |
| 486 | R | 57.5 | Low | 52.8 | Low | 162 Ų | 162 | 91.5 Ų | 91.5 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.4 | -42.5 | 178.5 | -167.4 | -175.7 | -175.2 | 177.6 | 0.6 | 111.9 | K482 E483 G488 V489 L490 | K482-R486 PolarHBondContact O-N 3.45Å; E483-R486 WeakPolarHBondContact O-CB 3.28Å; E483-R486 PolarHBondContact O-N 3.47Å; E483-R486 WeakPolarHBondContact OE2-CD 3.43Å; E483-R486 IonicContact OE2-NH1 3.13Å; R486-G488 VanDerWaalsContact C-N 3.35Å; R486-V489 PolarHBondContact O-N 3.17Å; R486-L490 PolarHBondContact O-N 2.81Å |
| 487 | L | 57.2 | Low | 51.6 | Low | 94 Ų | 94 | 90.8 Ų | 90.8 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.8 | -34.5 | 175.8 | -67.4 | 170.7 | 0 | 0 | 0 | 111.9 | E483 V489 L490 S491 | E483-L487 HydrophobicContact CG-CD1 4.32Å; E483-L487 WeakPolarHBondContact O-CG 3.35Å; E483-L487 PolarHBondContact O-N 3.01Å; L487-V489 VanDerWaalsContact C-N 3.26Å; L487-V489 PolarHBondContact O-N 2.8Å; L487-L490 HydrophobicContact CD2-CD1 4.43Å; L487-L490 PolarHBondContact O-N 3.4Å; L487-S491 PolarHBondContact O-N 3.42Å |
| 488 | G | 53.8 | Low | 49.7 | Very low | 43 Ų | 43 | 94.9 Ų | 94.9 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -25.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q484 R486 | Q484-G488 PolarHBondContact O-N 3.21Å; R486-G488 VanDerWaalsContact C-N 3.35Å |
| 489 | V | 44.5 | Very low | 48.2 | Very low | 76 Ų | 76 | 101.7 Ų | 101.7 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78.2 | -34.4 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | M485 R486 L487 V492 | M485-V489 WeakPolarHBondContact O-CG2 3.47Å; M485-V489 PolarHBondContact O-N 3.31Å; R486-V489 PolarHBondContact O-N 3.17Å; L487-V489 VanDerWaalsContact C-N 3.26Å; L487-V489 PolarHBondContact O-N 2.8Å; V489-V492 PolarHBondContact O-N 3.07Å |
| 490 | L | 36.4 | Very low | 46.6 | Very low | 89 Ų | 89 | 101.3 Ų | 101.3 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.1 | -25.9 | 179.1 | -69.9 | 165.7 | 0 | 0 | 0 | 113.6 | R486 L487 V492 C494 | R486-L490 PolarHBondContact O-N 2.81Å; L487-L490 HydrophobicContact CD2-CD1 4.43Å; L487-L490 PolarHBondContact O-N 3.4Å; L490-V492 VanDerWaalsContact C-N 3.3Å; L490-V492 PolarHBondContact O-N 2.83Å; L490-C494 PolarHBondContact O-SG 3.21Å |
| 491 | S | 41.5 | Very low | 44.6 | Very low | 94 Ų | 94 | 100.9 Ų | 100.9 | 66% | 0.657 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.4 | -17.1 | 174.4 | -85.3 | 0 | 0 | 0 | 0 | 114.4 | L487 | L487-S491 PolarHBondContact O-N 3.42Å |
| 492 | V | 43.2 | Very low | 42.8 | Very low | 108 Ų | 108 | 104.6 Ų | 104.6 | 66% | 0.655 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -88.1 | -26.5 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | V489 L490 C494 | V489-V492 PolarHBondContact O-N 3.07Å; L490-V492 VanDerWaalsContact C-N 3.3Å; L490-V492 PolarHBondContact O-N 2.83Å; V492-C494 VanDerWaalsContact C-N 3.33Å |
| 493 | E | 38.9 | Very low | 41.3 | Very low | 148 Ų | 148 | 106 Ų | 106 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -83.7 | -8 | 178.3 | -68.6 | 178.1 | 169 | 0 | 0 | 113.4 | ||
| 494 | C | 33.8 | Very low | 39.7 | Very low | 107 Ų | 107 | 107.4 Ų | 107.4 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 4.2 | 174.4 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | L490 V492 | L490-C494 PolarHBondContact O-SG 3.21Å; V492-C494 VanDerWaalsContact C-N 3.33Å |
| 495 | A | 36.4 | Very low | 38 | Very low | 81 Ų | 81 | 106.3 Ų | 106.3 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -106.7 | 11.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 496 | E | 34.4 | Very low | 36.5 | Very low | 200 Ų | 200 | 108.8 Ų | 108.8 | 94% | 0.935 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -114 | 28.9 | 172.4 | -70.8 | -170.5 | 168.2 | 0 | 0 | 113.3 | ||
| 497 | G | 37.7 | Very low | 35.2 | Very low | 61 Ų | 61 | 105.6 Ų | 105.6 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -133.3 | 105.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 498 | N | 28.5 | Very low | 34 | Very low | 169 Ų | 169 | 110.7 Ų | 110.7 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | trans | 78.7 | 90.9 | 166.7 | -70.8 | -17.6 | 0 | 0 | 0 | 120.1 | ||||
| 499 | V | 27 | Very low | 33.1 | Very low | 149 Ų | 149 | 112.1 Ų | 112.1 | 90% | 0.903 | 76% | 0.762 | S | S | * | * | trans | -145.9 | 123.2 | 136.6 | -176.4 | 0 | 0 | 0 | 0 | 105 | ||||
| 500 | S | 30.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -157.8 | 151 | 16.6 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 501 | A | 26.3 | Very low | 32.5 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -124.4 | 97.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 502 | A | 26.5 | Very low | 32.2 | Very low | 94 Ų | 94 | 119.2 Ų | 119.2 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -179.3 | 94.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 503 | A | 25 | Very low | 32 | Very low | 105 Ų | 105 | 117.5 Ų | 117.5 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | -179.8 | 123.3 | 129.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 504 | A | 32.2 | Very low | 32.4 | Very low | 111 Ų | 111 | 113.7 Ų | 113.7 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -56 | 147.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 505 | G | 27.2 | Very low | 32.8 | Very low | 74 Ų | 74 | 113.9 Ų | 113.9 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 170.4 | 100.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 506 | A | 27.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 116.4 Ų | 116.4 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 69.8 | 97.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 507 | A | 31.3 | Very low | 33.4 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | 33.1 | 122.2 | 121.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 508 | E | 32.1 | Very low | 33.8 | Very low | 201 Ų | 201 | 111.8 Ų | 111.8 | 94% | 0.939 | 74% | 0.735 | S | S | * | * | trans | 77.3 | 108.6 | 141.9 | -65.5 | -168.1 | -177.1 | 0 | 0 | 120.3 | ||||
| 509 | G | 35.1 | Very low | 34.7 | Very low | 73 Ų | 73 | 109.6 Ų | 109.6 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | 144.3 | 82 | 147.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 510 | E | 30.9 | Very low | 35.4 | Very low | 186 Ų | 186 | 108.2 Ų | 108.2 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | -172.1 | 81.9 | 151 | -109.5 | 175.3 | -157.3 | 0 | 0 | 111.6 | ||||
| 511 | E | 36.4 | Very low | 36.2 | Very low | 171 Ų | 171 | 111.9 Ų | 111.9 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | trans | -93.9 | 10.9 | 170.9 | -133.7 | 179.4 | -167.3 | 0 | 0 | 112.6 | ||||
| 512 | G | 35.3 | Very low | 37.5 | Very low | 52 Ų | 52 | 109.2 Ų | 109.2 | 54% | 0.536 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -88.1 | -38.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 513 | A | 39.6 | Very low | 38.6 | Very low | 71 Ų | 71 | 110.7 Ų | 110.7 | 59% | 0.587 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -88.2 | -15.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 514 | S | 45.8 | Very low | 39.6 | Very low | 68 Ų | 68 | 109.2 Ų | 109.2 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -84.6 | -26.8 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 113 | Q518 | S514-Q518 VanDerWaalsContact O-CB 3.28Å; S514-Q518 WeakPolarHBondContact O-CB 3.37Å; S514-Q518 VanDerWaalsContact O-CG 3.25Å; S514-Q518 WeakPolarHBondContact O-CG 3.34Å; S514-Q518 PolarHBondContact O-N 2.96Å |
| 515 | Q | 44 | Very low | 40.5 | Very low | 111 Ų | 111 | 107.8 Ų | 107.8 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.1 | -39.5 | 179.7 | -83.4 | -175 | -2.8 | 0 | 0 | 112.2 | Q518 Q519 | Q515-Q518 PolarHBondContact O-N 2.98Å; Q515-Q519 VanDerWaalsContact O-CB 3.24Å; Q515-Q519 WeakPolarHBondContact O-CB 3.47Å; Q515-Q519 WeakPolarHBondContact O-CG 3.47Å; Q515-Q519 PolarHBondContact O-N 3.39Å |
| 516 | E | 40.9 | Very low | 42 | Very low | 134 Ų | 134 | 108.2 Ų | 108.2 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.2 | -40.9 | 176 | -76.2 | -175.2 | 156 | 0 | 0 | 111.7 | Q518 Q519 L520 | E516-Q518 VanDerWaalsContact C-N 3.33Å; E516-Q518 PolarHBondContact O-N 2.96Å; E516-Q519 PolarHBondContact O-N 2.88Å; E516-L520 WeakPolarHBondContact O-CB 3.38Å; E516-L520 WeakPolarHBondContact O-CG 3.48Å; E516-L520 PolarHBondContact O-N 2.97Å |
| 517 | A | 42.4 | Very low | 42.8 | Very low | 43 Ų | 43 | 107.1 Ų | 107.1 | 36% | 0.355 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.8 | -32.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R521 | A517-R521 WeakPolarHBondContact O-CD 3.41Å; A517-R521 WeakPolarHBondContact O-CG 3.42Å; A517-R521 PolarHBondContact O-N 3.21Å |
| 518 | Q | 46.4 | Very low | 43.5 | Very low | 121 Ų | 121 | 108.2 Ų | 108.2 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -78.6 | -36.9 | 174.3 | -76.5 | 174.5 | -14.3 | 0 | 0 | 112.5 | S514 Q515 E516 R521 A522 | S514-Q518 VanDerWaalsContact O-CB 3.28Å; S514-Q518 WeakPolarHBondContact O-CB 3.37Å; S514-Q518 VanDerWaalsContact O-CG 3.25Å; S514-Q518 WeakPolarHBondContact O-CG 3.34Å; S514-Q518 PolarHBondContact O-N 2.96Å; Q515-Q518 PolarHBondContact O-N 2.98Å; E516-Q518 VanDerWaalsContact C-N 3.33Å; E516-Q518 PolarHBondContact O-N 2.96Å; Q518-R521 PolarHBondContact O-N 2.89Å; Q518-A522 VanDerWaalsContact O-CB 3.31Å; Q518-A522 WeakPolarHBondContact O-CB 3.3Å; Q518-A522 PolarHBondContact O-N 2.83Å |
| 519 | Q | 46.9 | Very low | 44.6 | Very low | 124 Ų | 124 | 105.3 Ų | 105.3 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 173.8 | -77.6 | 173.9 | 5.6 | 0 | 0 | 111.6 | Q515 E516 R523 | Q515-Q519 VanDerWaalsContact O-CB 3.24Å; Q515-Q519 WeakPolarHBondContact O-CB 3.47Å; Q515-Q519 WeakPolarHBondContact O-CG 3.47Å; Q515-Q519 PolarHBondContact O-N 3.39Å; E516-Q519 PolarHBondContact O-N 2.88Å; Q519-R523 VanDerWaalsContact O-CB 3.22Å; Q519-R523 WeakPolarHBondContact O-CB 3.21Å; Q519-R523 PolarHBondContact O-N 3.34Å |
| 520 | L | 42 | Very low | 45.2 | Very low | 119 Ų | 119 | 105.4 Ų | 105.4 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 175.6 | -72.5 | 169.1 | 0 | 0 | 0 | 112 | E516 R523 V524 | E516-L520 WeakPolarHBondContact O-CB 3.38Å; E516-L520 WeakPolarHBondContact O-CG 3.48Å; E516-L520 PolarHBondContact O-N 2.97Å; L520-R523 PolarHBondContact O-N 3.36Å; L520-V524 VanDerWaalsContact O-CG2 3.25Å; L520-V524 WeakPolarHBondContact O-CG2 3.48Å; L520-V524 PolarHBondContact O-N 3.48Å |
| 521 | R | 46.8 | Very low | 45.8 | Very low | 185 Ų | 185 | 101.4 Ų | 101.4 | 70% | 0.698 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.1 | -41.7 | 175.2 | -72.5 | 172.5 | -162.7 | -105.7 | 4 | 112.1 | A517 Q518 R523 V524 T525 | A517-R521 WeakPolarHBondContact O-CD 3.41Å; A517-R521 WeakPolarHBondContact O-CG 3.42Å; A517-R521 PolarHBondContact O-N 3.21Å; Q518-R521 PolarHBondContact O-N 2.89Å; R521-R523 VanDerWaalsContact C-N 3.31Å; R521-R523 PolarHBondContact O-N 2.88Å; R521-V524 PolarHBondContact O-N 2.93Å; R521-T525 PolarHBondContact O-N 3.14Å; R521-T525 PolarHBondContact O-OG1 3.44Å |
| 522 | A | 53.5 | Low | 46.2 | Very low | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q518 T525 E526 | Q518-A522 VanDerWaalsContact O-CB 3.31Å; Q518-A522 WeakPolarHBondContact O-CB 3.3Å; Q518-A522 PolarHBondContact O-N 2.83Å; A522-T525 WeakPolarHBondContact CA-OG1 3.42Å; A522-T525 PolarHBondContact O-N 3.07Å; A522-T525 PolarHBondContact O-OG1 3.38Å; A522-E526 WeakPolarHBondContact O-CB 3.49Å; A522-E526 PolarHBondContact O-N 3.47Å |
| 523 | R | 49 | Very low | 46.7 | Very low | 124 Ų | 124 | 99.9 Ų | 99.9 | 47% | 0.468 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -34.4 | 176.6 | -169.4 | 58.9 | 170.8 | 175.6 | 3 | 112.7 | Q519 L520 R521 E526 L527 | Q519-R523 VanDerWaalsContact O-CB 3.22Å; Q519-R523 WeakPolarHBondContact O-CB 3.21Å; Q519-R523 PolarHBondContact O-N 3.34Å; L520-R523 PolarHBondContact O-N 3.36Å; R521-R523 VanDerWaalsContact C-N 3.31Å; R521-R523 PolarHBondContact O-N 2.88Å; R523-E526 WeakPolarHBondContact CD-OE2 3.35Å; R523-E526 IonicContact CZ-OE2 3.77Å; R523-E526 IonicContact NH1-OE1 3.13Å; R523-E526 PolarHBondContact NH1-OE1 2.97Å; R523-E526 VanDerWaalsContact NH1-OE1 3.13Å; R523-E526 IonicContact NH1-OE2 2.75Å; R523-E526 PolarHBondContact NH1-OE2 3.46Å; R523-L527 HydrophobicContact CG-CD1 4.18Å; R523-L527 WeakPolarHBondContact O-CB 3.49Å; R523-L527 WeakPolarHBondContact O-CD1 3.36Å; R523-L527 WeakPolarHBondContact O-CG 3.43Å; R523-L527 PolarHBondContact O-N 3.18Å |
| 524 | V | 47 | Very low | 47 | Very low | 75 Ų | 75 | 105.4 Ų | 105.4 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | L520 R521 E526 L527 E528 | L520-V524 VanDerWaalsContact O-CG2 3.25Å; L520-V524 WeakPolarHBondContact O-CG2 3.48Å; L520-V524 PolarHBondContact O-N 3.48Å; R521-V524 PolarHBondContact O-N 2.93Å; V524-E526 PolarHBondContact O-N 3.32Å; V524-L527 PolarHBondContact O-N 3Å; V524-E528 HydrophobicContact CG1-CG 4.39Å; V524-E528 WeakPolarHBondContact O-CB 3.26Å; V524-E528 VanDerWaalsContact O-CG 3.26Å; V524-E528 WeakPolarHBondContact O-CG 3.46Å; V524-E528 PolarHBondContact O-N 3.49Å |
| 525 | T | 50.2 | Low | 46.8 | Very low | 81 Ų | 81 | 109 Ų | 109 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 176.5 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | R521 A522 E528 E529 | R521-T525 PolarHBondContact O-N 3.14Å; R521-T525 PolarHBondContact O-OG1 3.44Å; A522-T525 WeakPolarHBondContact CA-OG1 3.42Å; A522-T525 PolarHBondContact O-N 3.07Å; A522-T525 PolarHBondContact O-OG1 3.38Å; T525-E528 PolarHBondContact O-N 2.99Å; T525-E529 WeakPolarHBondContact O-CB 3.37Å; T525-E529 PolarHBondContact O-N 2.88Å |
| 526 | E | 58.1 | Low | 46.7 | Very low | 83 Ų | 83 | 106.1 Ų | 106.1 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 174.5 | -168.5 | -165.6 | 167.3 | 0 | 0 | 111.8 | A522 R523 V524 Q530 | A522-E526 WeakPolarHBondContact O-CB 3.49Å; A522-E526 PolarHBondContact O-N 3.47Å; R523-E526 WeakPolarHBondContact CD-OE2 3.35Å; R523-E526 IonicContact CZ-OE2 3.77Å; R523-E526 IonicContact NH1-OE1 3.13Å; R523-E526 PolarHBondContact NH1-OE1 2.97Å; R523-E526 VanDerWaalsContact NH1-OE1 3.13Å; R523-E526 IonicContact NH1-OE2 2.75Å; R523-E526 PolarHBondContact NH1-OE2 3.46Å; V524-E526 PolarHBondContact O-N 3.32Å; E526-Q530 WeakPolarHBondContact O-CB 3.48Å; E526-Q530 WeakPolarHBondContact O-CG 3.5Å; E526-Q530 PolarHBondContact O-N 3.39Å; E526-Q530 PolarHBondContact OE1-NE2 3.4Å |
| 527 | L | 44.5 | Very low | 46.6 | Very low | 78 Ų | 78 | 106.8 Ų | 106.8 | 41% | 0.408 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73.7 | -31.9 | 176.1 | -73.7 | 170.4 | 0 | 0 | 0 | 112.7 | R523 V524 L531 | R523-L527 HydrophobicContact CG-CD1 4.18Å; R523-L527 WeakPolarHBondContact O-CB 3.49Å; R523-L527 WeakPolarHBondContact O-CD1 3.36Å; R523-L527 WeakPolarHBondContact O-CG 3.43Å; R523-L527 PolarHBondContact O-N 3.18Å; V524-L527 PolarHBondContact O-N 3Å; L527-L531 WeakPolarHBondContact O-CB 3.35Å; L527-L531 WeakPolarHBondContact O-CG 3.5Å; L527-L531 PolarHBondContact O-N 3.12Å |
| 528 | E | 47.2 | Very low | 46.5 | Very low | 118 Ų | 118 | 108 Ų | 108 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.6 | -38.9 | 172.8 | -74.9 | 172.5 | 170.6 | 0 | 0 | 111.4 | V524 T525 L531 A532 | V524-E528 HydrophobicContact CG1-CG 4.39Å; V524-E528 WeakPolarHBondContact O-CB 3.26Å; V524-E528 VanDerWaalsContact O-CG 3.26Å; V524-E528 WeakPolarHBondContact O-CG 3.46Å; V524-E528 PolarHBondContact O-N 3.49Å; T525-E528 PolarHBondContact O-N 2.99Å; E528-L531 PolarHBondContact O-N 2.99Å; E528-A532 WeakPolarHBondContact O-CB 3.29Å; E528-A532 PolarHBondContact O-N 3.26Å |
| 529 | E | 54.4 | Low | 46.2 | Very low | 141 Ų | 141 | 110.6 Ų | 110.6 | 66% | 0.659 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71 | -38.2 | 174.8 | -157.2 | 169.5 | -156.7 | 0 | 0 | 111.5 | T525 L531 A532 E533 | T525-E529 WeakPolarHBondContact O-CB 3.37Å; T525-E529 PolarHBondContact O-N 2.88Å; E529-L531 VanDerWaalsContact C-N 3.32Å; E529-L531 PolarHBondContact O-N 3.31Å; E529-A532 PolarHBondContact O-N 2.84Å; E529-E533 PolarHBondContact O-N 3.49Å |
| 530 | Q | 48.9 | Very low | 46 | Very low | 74 Ų | 74 | 107.3 Ų | 107.3 | 35% | 0.346 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.1 | -28.6 | 170.8 | -74.2 | 172.6 | 19.7 | 0 | 0 | 113.1 | E526 R534 | E526-Q530 WeakPolarHBondContact O-CB 3.48Å; E526-Q530 WeakPolarHBondContact O-CG 3.5Å; E526-Q530 PolarHBondContact O-N 3.39Å; E526-Q530 PolarHBondContact OE1-NE2 3.4Å; Q530-R534 VanDerWaalsContact O-CB 3.3Å; Q530-R534 WeakPolarHBondContact O-CB 3.45Å; Q530-R534 VanDerWaalsContact O-CG 3.25Å; Q530-R534 WeakPolarHBondContact O-CG 3.45Å; Q530-R534 PolarHBondContact O-N 3.01Å |
| 531 | L | 42.5 | Very low | 46 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.3 | -35.5 | 171.3 | -86.3 | 165.1 | 0 | 0 | 0 | 111.7 | L527 E528 E529 Q535 | L527-L531 WeakPolarHBondContact O-CB 3.35Å; L527-L531 WeakPolarHBondContact O-CG 3.5Å; L527-L531 PolarHBondContact O-N 3.12Å; E528-L531 PolarHBondContact O-N 2.99Å; E529-L531 VanDerWaalsContact C-N 3.32Å; E529-L531 PolarHBondContact O-N 3.31Å; L531-Q535 WeakPolarHBondContact O-CB 3.4Å; L531-Q535 VanDerWaalsContact O-CG 3.26Å; L531-Q535 WeakPolarHBondContact O-CG 3.45Å; L531-Q535 PolarHBondContact O-N 2.86Å |
| 532 | A | 45.9 | Very low | 45.8 | Very low | 59 Ų | 59 | 103.2 Ų | 103.2 | 49% | 0.488 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E528 E529 Q535 G536 | E528-A532 WeakPolarHBondContact O-CB 3.29Å; E528-A532 PolarHBondContact O-N 3.26Å; E529-A532 PolarHBondContact O-N 2.84Å; A532-Q535 PolarHBondContact O-N 3.36Å; A532-G536 PolarHBondContact O-N 2.97Å |
| 533 | E | 44.8 | Very low | 45.3 | Very low | 132 Ų | 132 | 104.6 Ų | 104.6 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -42.2 | 171.9 | -89.1 | -174.3 | 153.2 | 0 | 0 | 111.7 | E529 Q535 G536 E537 | E529-E533 PolarHBondContact O-N 3.49Å; E533-Q535 VanDerWaalsContact C-N 3.28Å; E533-Q535 PolarHBondContact O-N 2.63Å; E533-G536 CarbonylContact O-C 3.59Å; E533-G536 PolarHBondContact O-N 2.95Å; E533-G536 VanDerWaalsContact O-N 3.09Å; E533-E537 WeakPolarHBondContact O-CG 3.3Å; E533-E537 PolarHBondContact O-N 3.12Å |
| 534 | R | 45.8 | Very low | 44.9 | Very low | 188 Ų | 188 | 108.7 Ų | 108.7 | 71% | 0.709 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.5 | -23.5 | 175.3 | -76.9 | -175.9 | 173.2 | -169 | 0.6 | 114.1 | Q530 A538 | Q530-R534 VanDerWaalsContact O-CB 3.3Å; Q530-R534 WeakPolarHBondContact O-CB 3.45Å; Q530-R534 VanDerWaalsContact O-CG 3.25Å; Q530-R534 WeakPolarHBondContact O-CG 3.45Å; Q530-R534 PolarHBondContact O-N 3.01Å; R534-A538 PolarHBondContact O-N 2.83Å |
| 535 | Q | 41 | Very low | 44.6 | Very low | 143 Ų | 143 | 109.8 Ų | 109.8 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.3 | -27.1 | 170.4 | -77.2 | 176.6 | -4.1 | 0 | 0 | 112.1 | L531 A532 E533 | L531-Q535 WeakPolarHBondContact O-CB 3.4Å; L531-Q535 VanDerWaalsContact O-CG 3.26Å; L531-Q535 WeakPolarHBondContact O-CG 3.45Å; L531-Q535 PolarHBondContact O-N 2.86Å; A532-Q535 PolarHBondContact O-N 3.36Å; E533-Q535 VanDerWaalsContact C-N 3.28Å; E533-Q535 PolarHBondContact O-N 2.63Å |
| 536 | G | 41.9 | Very low | 44 | Very low | 51 Ų | 51 | 109 Ų | 109 | 53% | 0.526 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76.4 | -28.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A532 E533 | A532-G536 PolarHBondContact O-N 2.97Å; E533-G536 CarbonylContact O-C 3.59Å; E533-G536 PolarHBondContact O-N 2.95Å; E533-G536 VanDerWaalsContact O-N 3.09Å |
| 537 | E | 40.6 | Very low | 43.3 | Very low | 148 Ų | 148 | 109.2 Ų | 109.2 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -84.4 | -11.7 | 177.9 | -69.8 | -178.1 | 161 | 0 | 0 | 113.7 | E533 E539 | E533-E537 WeakPolarHBondContact O-CG 3.3Å; E533-E537 PolarHBondContact O-N 3.12Å; E537-E539 VanDerWaalsContact C-N 3.28Å; E537-E539 PolarHBondContact O-N 3.37Å |
| 538 | A | 39.1 | Very low | 43.3 | Very low | 68 Ų | 68 | 108.5 Ų | 108.5 | 56% | 0.562 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -79.5 | -4.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R534 | R534-A538 PolarHBondContact O-N 2.83Š|
| 539 | E | 40.7 | Very low | 43.1 | Very low | 176 Ų | 176 | 107.4 Ų | 107.4 | 82% | 0.822 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -90.1 | -4.6 | 173 | -66.9 | -169.2 | 155.3 | 0 | 0 | 113.2 | E537 | E537-E539 VanDerWaalsContact C-N 3.28Å; E537-E539 PolarHBondContact O-N 3.37Å |
| 540 | G | 41.5 | Very low | 42.7 | Very low | 55 Ų | 55 | 106.7 Ų | 106.7 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -91.6 | -20.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 541 | Q | 42.7 | Very low | 42.5 | Very low | 159 Ų | 159 | 109.3 Ų | 109.3 | 74% | 0.743 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -112.2 | 0.8 | -171.5 | -139.9 | 67.9 | 17.8 | 0 | 0 | 114.5 | ||
| 542 | S | 42.8 | Very low | 42.4 | Very low | 58 Ų | 58 | 109.7 Ų | 109.7 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -88.1 | -0.5 | -176.4 | -165.8 | 0 | 0 | 0 | 0 | 114.4 | N546 | S542-N546 WeakPolarHBondContact O-CB 3.42Å; S542-N546 PolarHBondContact O-N 3.41Å; S542-N546 PolarHBondContact O-ND2 2.92Å; S542-N546 PolarHBondContact OG-ND2 3.16Å |
| 543 | S | 42.6 | Very low | 42.3 | Very low | 84 Ų | 84 | 110 Ų | 110 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -80.1 | -38.8 | -179.9 | 80.9 | 0 | 0 | 0 | 0 | 113.1 | D547 | S543-D547 PolarHBondContact O-N 3.47Å; S543-D547 VanDerWaalsContact O-N 3.11Å |
| 544 | R | 41.4 | Very low | 42.5 | Very low | 209 Ų | 209 | 109.9 Ų | 109.9 | 79% | 0.789 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76.2 | -33.4 | 177.6 | -102.1 | 177.9 | 176 | 159.6 | -0.6 | 113.2 | T548 | R544-T548 WeakPolarHBondContact O-CG2 3.32Å; R544-T548 PolarHBondContact O-N 2.97Å; R544-T548 VanDerWaalsContact O-N 3.11Å; R544-T548 PolarHBondContact O-OG1 2.98Å; R544-T548 VanDerWaalsContact O-OG1 3.08Å |
| 545 | D | 39.5 | Very low | 42.6 | Very low | 98 Ų | 98 | 107.2 Ų | 107.2 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -81.8 | -27.6 | 175.7 | -68.9 | -13.6 | 0 | 0 | 0 | 111.9 | T548 I549 | D545-T548 WeakPolarHBondContact CA-OG1 3.49Å; D545-T548 PolarHBondContact O-OG1 2.95Å; D545-I549 WeakPolarHBondContact O-CB 3.36Å; D545-I549 VanDerWaalsContact O-CD1 3.29Å; D545-I549 WeakPolarHBondContact O-CD1 3.49Å; D545-I549 WeakPolarHBondContact O-CG1 3.35Å; D545-I549 PolarHBondContact O-N 3.44Å |
| 546 | N | 39.3 | Very low | 42.8 | Very low | 66 Ų | 66 | 103.7 Ų | 103.7 | 35% | 0.353 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69 | -34 | 166.9 | -98.3 | -68.2 | 0 | 0 | 0 | 112.8 | S542 K550 | S542-N546 WeakPolarHBondContact O-CB 3.42Å; S542-N546 PolarHBondContact O-N 3.41Å; S542-N546 PolarHBondContact O-ND2 2.92Å; S542-N546 PolarHBondContact OG-ND2 3.16Å; N546-K550 WeakPolarHBondContact O-CA 3.46Å; N546-K550 WeakPolarHBondContact O-CB 3.43Å; N546-K550 WeakPolarHBondContact O-CD 3.42Å; N546-K550 WeakPolarHBondContact O-CG 3.19Å; N546-K550 PolarHBondContact O-N 3.31Å |
| 547 | D | 42.8 | Very low | 43 | Very low | 87 Ų | 87 | 107.8 Ų | 107.8 | 47% | 0.465 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -74.6 | -36.8 | 178.8 | -74.6 | -15.8 | 0 | 0 | 0 | 111.3 | S543 Q551 | S543-D547 PolarHBondContact O-N 3.47Å; S543-D547 VanDerWaalsContact O-N 3.11Å; D547-Q551 VanDerWaalsContact O-CB 3.25Å; D547-Q551 WeakPolarHBondContact O-CB 3.44Å; D547-Q551 WeakPolarHBondContact O-CG 3.39Å; D547-Q551 PolarHBondContact O-N 3.49Å |
| 548 | T | 44.9 | Very low | 43.3 | Very low | 62 Ų | 62 | 106.8 Ų | 106.8 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.9 | -37.9 | 171.3 | 54.3 | 0 | 0 | 0 | 0 | 112 | R544 D545 Q551 L552 | R544-T548 WeakPolarHBondContact O-CG2 3.32Å; R544-T548 PolarHBondContact O-N 2.97Å; R544-T548 VanDerWaalsContact O-N 3.11Å; R544-T548 PolarHBondContact O-OG1 2.98Å; R544-T548 VanDerWaalsContact O-OG1 3.08Å; D545-T548 WeakPolarHBondContact CA-OG1 3.49Å; D545-T548 PolarHBondContact O-OG1 2.95Å; T548-Q551 PolarHBondContact O-N 3.35Å; T548-L552 WeakPolarHBondContact O-CB 3.45Å; T548-L552 WeakPolarHBondContact O-CG 3.49Å; T548-L552 PolarHBondContact O-N 3.07Å |
| 549 | I | 42.7 | Very low | 43.6 | Very low | 95 Ų | 95 | 109.1 Ų | 109.1 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.2 | -39.1 | 172.8 | -69.5 | 165.6 | 0 | 0 | 0 | 110.4 | D545 L552 T553 | D545-I549 WeakPolarHBondContact O-CB 3.36Å; D545-I549 VanDerWaalsContact O-CD1 3.29Å; D545-I549 WeakPolarHBondContact O-CD1 3.49Å; D545-I549 WeakPolarHBondContact O-CG1 3.35Å; D545-I549 PolarHBondContact O-N 3.44Å; I549-L552 PolarHBondContact O-N 2.99Å; I549-T553 WeakPolarHBondContact O-CA 3.41Å; I549-T553 WeakPolarHBondContact O-CB 3.38Å; I549-T553 PolarHBondContact O-N 3.49Å; I549-T553 PolarHBondContact O-OG1 3.45Å |
| 550 | K | 46.3 | Very low | 43.5 | Very low | 126 Ų | 126 | 104.6 Ų | 104.6 | 55% | 0.548 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 174.1 | -78.7 | 171.2 | -176.1 | 173.8 | 0 | 111.7 | N546 T553 E554 | N546-K550 WeakPolarHBondContact O-CA 3.46Å; N546-K550 WeakPolarHBondContact O-CB 3.43Å; N546-K550 WeakPolarHBondContact O-CD 3.42Å; N546-K550 WeakPolarHBondContact O-CG 3.19Å; N546-K550 PolarHBondContact O-N 3.31Å; K550-T553 PolarHBondContact O-N 3.46Å; K550-E554 WeakPolarHBondContact O-CB 3.48Å; K550-E554 PolarHBondContact O-N 2.94Å |
| 551 | Q | 44.4 | Very low | 43.6 | Very low | 129 Ų | 129 | 104.2 Ų | 104.2 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.1 | -36 | 174.8 | -75.3 | 172.3 | 18.2 | 0 | 0 | 112.4 | D547 T548 K555 | D547-Q551 VanDerWaalsContact O-CB 3.25Å; D547-Q551 WeakPolarHBondContact O-CB 3.44Å; D547-Q551 WeakPolarHBondContact O-CG 3.39Å; D547-Q551 PolarHBondContact O-N 3.49Å; T548-Q551 PolarHBondContact O-N 3.35Å; Q551-K555 VanDerWaalsContact O-CB 3.26Å; Q551-K555 WeakPolarHBondContact O-CB 3.34Å; Q551-K555 PolarHBondContact O-N 2.92Å |
| 552 | L | 40.9 | Very low | 43.6 | Very low | 110 Ų | 110 | 99.2 Ų | 99.2 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.5 | -33.6 | 173.3 | -72.1 | 170 | 0 | 0 | 0 | 111.2 | T548 I549 V556 | T548-L552 WeakPolarHBondContact O-CB 3.45Å; T548-L552 WeakPolarHBondContact O-CG 3.49Å; T548-L552 PolarHBondContact O-N 3.07Å; I549-L552 PolarHBondContact O-N 2.99Å; L552-V556 WeakPolarHBondContact O-CB 3.24Å; L552-V556 WeakPolarHBondContact O-CG2 3.38Å; L552-V556 PolarHBondContact O-N 2.92Å |
| 553 | T | 41.8 | Very low | 43.3 | Very low | 66 Ų | 66 | 102.4 Ų | 102.4 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.5 | -35.6 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 111 | I549 K550 K557 | I549-T553 WeakPolarHBondContact O-CA 3.41Å; I549-T553 WeakPolarHBondContact O-CB 3.38Å; I549-T553 PolarHBondContact O-N 3.49Å; I549-T553 PolarHBondContact O-OG1 3.45Å; K550-T553 PolarHBondContact O-N 3.46Å; T553-K557 WeakPolarHBondContact O-CB 3.48Å; T553-K557 VanDerWaalsContact O-CG 3.28Å; T553-K557 WeakPolarHBondContact O-CG 3.44Å; T553-K557 PolarHBondContact O-N 2.98Å |
| 554 | E | 50.4 | Low | 43.3 | Very low | 130 Ų | 130 | 106.2 Ų | 106.2 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70 | -44.2 | 169.1 | -88.2 | -148.7 | 145.7 | 0 | 0 | 111.5 | K550 V556 K557 E558 | K550-E554 WeakPolarHBondContact O-CB 3.48Å; K550-E554 PolarHBondContact O-N 2.94Å; E554-V556 VanDerWaalsContact C-N 3.29Å; E554-V556 PolarHBondContact O-N 2.8Å; E554-K557 CarbonylContact O-C 3.54Å; E554-K557 WeakPolarHBondContact O-CA 3.33Å; E554-K557 PolarHBondContact O-N 3.49Å; E554-K557 VanDerWaalsContact O-N 3.09Å; E554-E558 WeakPolarHBondContact O-CB 3.44Å; E554-E558 WeakPolarHBondContact O-CG 3.4Å; E554-E558 PolarHBondContact O-N 3Å |
| 555 | K | 47.5 | Very low | 43.3 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -35.1 | 172.5 | -89 | -172.8 | 170.9 | -178.7 | 0 | 112.6 | Q551 L559 | Q551-K555 VanDerWaalsContact O-CB 3.26Å; Q551-K555 WeakPolarHBondContact O-CB 3.34Å; Q551-K555 PolarHBondContact O-N 2.92Å; K555-L559 WeakPolarHBondContact O-CB 3.31Å; K555-L559 WeakPolarHBondContact O-CD1 3.45Å; K555-L559 WeakPolarHBondContact O-CG 3.37Å; K555-L559 PolarHBondContact O-N 3Å |
| 556 | V | 44.3 | Very low | 43.2 | Very low | 69 Ų | 69 | 99.5 Ų | 99.5 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70 | -36.8 | 173.3 | 166.2 | 0 | 0 | 0 | 0 | 110.3 | L552 E554 Q560 | L552-V556 WeakPolarHBondContact O-CB 3.24Å; L552-V556 WeakPolarHBondContact O-CG2 3.38Å; L552-V556 PolarHBondContact O-N 2.92Å; E554-V556 VanDerWaalsContact C-N 3.29Å; E554-V556 PolarHBondContact O-N 2.8Å; V556-Q560 HydrophobicContact CG1-CG 4.24Å; V556-Q560 WeakPolarHBondContact O-CA 3.34Å; V556-Q560 WeakPolarHBondContact O-CB 3.08Å; V556-Q560 WeakPolarHBondContact O-CG 3.17Å; V556-Q560 PolarHBondContact O-N 2.98Å |
| 557 | K | 47.4 | Very low | 43.1 | Very low | 137 Ų | 137 | 100.2 Ų | 100.2 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.2 | -37.9 | 172.5 | -80.1 | 176.4 | 178.7 | -179.5 | 0 | 112.8 | T553 E554 A561 | T553-K557 WeakPolarHBondContact O-CB 3.48Å; T553-K557 VanDerWaalsContact O-CG 3.28Å; T553-K557 WeakPolarHBondContact O-CG 3.44Å; T553-K557 PolarHBondContact O-N 2.98Å; E554-K557 CarbonylContact O-C 3.54Å; E554-K557 WeakPolarHBondContact O-CA 3.33Å; E554-K557 PolarHBondContact O-N 3.49Å; E554-K557 VanDerWaalsContact O-N 3.09Å; K557-A561 WeakPolarHBondContact O-CB 3.49Å; K557-A561 PolarHBondContact O-N 2.98Å |
| 558 | E | 47.3 | Very low | 42.9 | Very low | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.7 | -41.4 | 174.4 | -78.2 | -175.5 | 156.6 | 0 | 0 | 111.1 | E554 A561 A562 | E554-E558 WeakPolarHBondContact O-CB 3.44Å; E554-E558 WeakPolarHBondContact O-CG 3.4Å; E554-E558 PolarHBondContact O-N 3Å; E558-A561 CarbonylContact O-C 3.44Å; E558-A561 PolarHBondContact O-N 3.48Å; E558-A562 WeakPolarHBondContact O-CB 3.48Å; E558-A562 PolarHBondContact O-N 2.92Å |
| 559 | L | 44 | Very low | 42.5 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.8 | -35.3 | 174.4 | -72.4 | 169 | 0 | 0 | 0 | 111.3 | K555 Q563 | K555-L559 WeakPolarHBondContact O-CB 3.31Å; K555-L559 WeakPolarHBondContact O-CD1 3.45Å; K555-L559 WeakPolarHBondContact O-CG 3.37Å; K555-L559 PolarHBondContact O-N 3Å; L559-Q563 WeakPolarHBondContact O-CA 3.45Å; L559-Q563 WeakPolarHBondContact O-CB 3.49Å; L559-Q563 PolarHBondContact O-N 3.4Å |
| 560 | Q | 39.2 | Very low | 42.6 | Very low | 81 Ų | 81 | 111.5 Ų | 111.5 | 38% | 0.379 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.3 | -29.9 | 171.8 | -76.1 | 173.1 | -7.4 | 0 | 0 | 112.1 | V556 R564 | V556-Q560 HydrophobicContact CG1-CG 4.24Å; V556-Q560 WeakPolarHBondContact O-CA 3.34Å; V556-Q560 WeakPolarHBondContact O-CB 3.08Å; V556-Q560 WeakPolarHBondContact O-CG 3.17Å; V556-Q560 PolarHBondContact O-N 2.98Å; Q560-R564 VanDerWaalsContact O-CB 3.25Å; Q560-R564 WeakPolarHBondContact O-CB 3.41Å; Q560-R564 WeakPolarHBondContact O-CD 3.4Å; Q560-R564 WeakPolarHBondContact O-CG 3.3Å; Q560-R564 PolarHBondContact O-N 3.24Å |
| 561 | A | 43.5 | Very low | 42.4 | Very low | 48 Ų | 48 | 113.2 Ų | 113.2 | 40% | 0.397 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76 | -38.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K557 E558 R564 E565 | K557-A561 WeakPolarHBondContact O-CB 3.49Å; K557-A561 PolarHBondContact O-N 2.98Å; E558-A561 CarbonylContact O-C 3.44Å; E558-A561 PolarHBondContact O-N 3.48Å; A561-R564 CarbonylContact O-C 3.52Å; A561-R564 PolarHBondContact O-N 3.34Å; A561-E565 WeakPolarHBondContact O-CB 3.29Å; A561-E565 PolarHBondContact O-N 2.8Å |
| 562 | A | 43.1 | Very low | 42 | Very low | 53 Ų | 53 | 109.2 Ų | 109.2 | 44% | 0.438 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.6 | -31.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E558 E565 S566 | E558-A562 WeakPolarHBondContact O-CB 3.48Å; E558-A562 PolarHBondContact O-N 2.92Å; A562-E565 CarbonylContact O-C 3.47Å; A562-E565 PolarHBondContact O-N 3.38Å; A562-S566 VanDerWaalsContact O-CB 3.28Å; A562-S566 WeakPolarHBondContact O-CB 3.44Å; A562-S566 PolarHBondContact O-N 2.92Å; A562-S566 PolarHBondContact O-OG 3.32Å |
| 563 | Q | 36.1 | Very low | 41.9 | Very low | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.5 | -34.5 | 171.1 | -169.2 | 173 | 13.3 | 0 | 0 | 111 | L559 S566 V567 | L559-Q563 WeakPolarHBondContact O-CA 3.45Å; L559-Q563 WeakPolarHBondContact O-CB 3.49Å; L559-Q563 PolarHBondContact O-N 3.4Å; Q563-S566 WeakPolarHBondContact CA-OG 3.36Å; Q563-S566 PolarHBondContact O-OG 3.02Å; Q563-V567 VanDerWaalsContact O-CB 3.23Å; Q563-V567 WeakPolarHBondContact O-CB 3.41Å; Q563-V567 WeakPolarHBondContact O-CG2 3.29Å; Q563-V567 PolarHBondContact O-N 2.86Å |
| 564 | R | 41.7 | Very low | 42 | Very low | 164 Ų | 164 | 116 Ų | 116 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71 | -33.5 | 168.9 | -76.6 | 170 | -174.8 | 138.6 | 2 | 112.2 | Q560 A561 L568 | Q560-R564 VanDerWaalsContact O-CB 3.25Å; Q560-R564 WeakPolarHBondContact O-CB 3.41Å; Q560-R564 WeakPolarHBondContact O-CD 3.4Å; Q560-R564 WeakPolarHBondContact O-CG 3.3Å; Q560-R564 PolarHBondContact O-N 3.24Å; A561-R564 CarbonylContact O-C 3.52Å; A561-R564 PolarHBondContact O-N 3.34Å; R564-L568 WeakPolarHBondContact O-CB 3.48Å; R564-L568 WeakPolarHBondContact O-CD1 3.24Å; R564-L568 WeakPolarHBondContact O-CG 3.18Å; R564-L568 PolarHBondContact O-N 2.97Å |
| 565 | E | 41.7 | Very low | 41.8 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 49% | 0.486 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -77.6 | -27.4 | 173.3 | -83.8 | -159.5 | 179.7 | 0 | 0 | 113 | A561 A562 L568 R569 | A561-E565 WeakPolarHBondContact O-CB 3.29Å; A561-E565 PolarHBondContact O-N 2.8Å; A562-E565 CarbonylContact O-C 3.47Å; A562-E565 PolarHBondContact O-N 3.38Å; E565-L568 CarbonylContact O-C 3.49Å; E565-R569 VanDerWaalsContact O-CB 3.23Å; E565-R569 WeakPolarHBondContact O-CB 3.24Å; E565-R569 VanDerWaalsContact O-CG 3.3Å; E565-R569 WeakPolarHBondContact O-CG 3.4Å; E565-R569 PolarHBondContact O-N 2.86Å; E565-R569 IonicContact OE2-CZ 3.26Å; E565-R569 IonicContact OE2-NH1 2.8Å; E565-R569 PolarHBondContact OE2-NH1 3.02Å; E565-R569 IonicContact OE2-NH2 3.48Å |
| 566 | S | 37.2 | Very low | 41.2 | Very low | 61 Ų | 61 | 121.9 Ų | 121.9 | 43% | 0.427 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -76.8 | -36.3 | 171.8 | 74.1 | 0 | 0 | 0 | 0 | 110.9 | A562 Q563 R569 E570 | A562-S566 VanDerWaalsContact O-CB 3.28Å; A562-S566 WeakPolarHBondContact O-CB 3.44Å; A562-S566 PolarHBondContact O-N 2.92Å; A562-S566 PolarHBondContact O-OG 3.32Å; Q563-S566 WeakPolarHBondContact CA-OG 3.36Å; Q563-S566 PolarHBondContact O-OG 3.02Å; S566-R569 PolarHBondContact O-N 3.24Å; S566-E570 PolarHBondContact O-N 2.76Å |
| 567 | V | 37.4 | Very low | 40.9 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.5 | -31.7 | 169.9 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | Q563 E571 | Q563-V567 VanDerWaalsContact O-CB 3.23Å; Q563-V567 WeakPolarHBondContact O-CB 3.41Å; Q563-V567 WeakPolarHBondContact O-CG2 3.29Å; Q563-V567 PolarHBondContact O-N 2.86Å; V567-E571 PolarHBondContact O-N 2.91Å |
| 568 | L | 38.7 | Very low | 40.7 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -84.4 | -8.1 | 171.4 | -69.4 | 166.1 | 0 | 0 | 0 | 114.3 | R564 E565 G572 | R564-L568 WeakPolarHBondContact O-CB 3.48Å; R564-L568 WeakPolarHBondContact O-CD1 3.24Å; R564-L568 WeakPolarHBondContact O-CG 3.18Å; R564-L568 PolarHBondContact O-N 2.97Å; E565-L568 CarbonylContact O-C 3.49Å; L568-G572 WeakPolarHBondContact O-CA 3.49Å |
| 569 | R | 37.5 | Very low | 40.6 | Very low | 174 Ų | 174 | 117.3 Ų | 117.3 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -96.8 | -18.8 | 169.7 | -82.7 | -175.3 | -178.7 | 100.6 | 2.2 | 113.3 | E565 S566 | E565-R569 VanDerWaalsContact O-CB 3.23Å; E565-R569 WeakPolarHBondContact O-CB 3.24Å; E565-R569 VanDerWaalsContact O-CG 3.3Å; E565-R569 WeakPolarHBondContact O-CG 3.4Å; E565-R569 PolarHBondContact O-N 2.86Å; E565-R569 IonicContact OE2-CZ 3.26Å; E565-R569 IonicContact OE2-NH1 2.8Å; E565-R569 PolarHBondContact OE2-NH1 3.02Å; E565-R569 IonicContact OE2-NH2 3.48Å; S566-R569 PolarHBondContact O-N 3.24Å |
| 570 | E | 43.7 | Very low | 40.4 | Very low | 184 Ų | 184 | 118.9 Ų | 118.9 | 86% | 0.86 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -97.6 | -7.1 | 169.9 | -73.8 | -168.4 | 158.3 | 0 | 0 | 114.5 | S566 | S566-E570 PolarHBondContact O-N 2.76Å |
| 571 | E | 42 | Very low | 40.9 | Very low | 162 Ų | 162 | 117.5 Ų | 117.5 | 76% | 0.757 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -122.4 | 16.8 | 170.6 | -63.2 | -170.9 | 152.7 | 0 | 0 | 113.6 | V567 | V567-E571 PolarHBondContact O-N 2.91Š|
| 572 | G | 36.6 | Very low | 41.1 | Very low | 45 Ų | 45 | 118.5 Ų | 118.5 | 46% | 0.464 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -107.9 | -4.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | L568 | L568-G572 WeakPolarHBondContact O-CA 3.49Š|
| 573 | E | 39.6 | Very low | 41.3 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 88% | 0.879 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -103 | -4 | -176.9 | -74.3 | -165.1 | 155 | 0 | 0 | 115.5 | ||
| 574 | N | 43.3 | Very low | 42.1 | Very low | 131 Ų | 131 | 120 Ų | 120 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -120.3 | 8.3 | -173.5 | -126.1 | 11.7 | 0 | 0 | 0 | 117.2 | ||
| 575 | K | 45.5 | Very low | 42.4 | Very low | 177 Ų | 177 | 116.1 Ų | 116.1 | 77% | 0.77 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -132.8 | 13.2 | -177.6 | -68.6 | -173.7 | -179.5 | 172.8 | 0 | 116.4 | ||
| 576 | R | 35 | Very low | 42.9 | Very low | 206 Ų | 206 | 119.5 Ų | 119.5 | 78% | 0.777 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -102.1 | -21.6 | 169.2 | -161.8 | 177.1 | -69.9 | -105.2 | 1.5 | 113.4 | ||
| 577 | G | 38.6 | Very low | 43.8 | Very low | 58 Ų | 58 | 121.8 Ų | 121.8 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.4 | -24.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | S581 | G577-S581 WeakPolarHBondContact O-CB 3.49Å; G577-S581 PolarHBondContact O-N 2.92Å; G577-S581 PolarHBondContact O-OG 2.65Å |
| 578 | E | 43.2 | Very low | 44.7 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 38% | 0.383 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -90.2 | -22.9 | -173.1 | -65.8 | -173.3 | 153.3 | 0 | 0 | 114 | S581 V582 | E578-S581 WeakPolarHBondContact CA-OG 3.36Å; E578-S581 PolarHBondContact O-OG 2.98Å; E578-S581 VanDerWaalsContact O-OG 3.1Å; E578-V582 WeakPolarHBondContact O-CG2 3.37Å; E578-V582 PolarHBondContact O-N 3.39Å |
| 579 | V | 44.8 | Very low | 45.3 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 59% | 0.594 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -84.8 | -27.5 | -179.5 | -177.4 | 0 | 0 | 0 | 0 | 112 | ||
| 580 | E | 41 | Very low | 46.3 | Very low | 150 Ų | 150 | 119.1 Ų | 119.1 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.7 | -30.8 | 171.4 | -73.4 | -177.7 | 169.5 | 0 | 0 | 112.1 | S584 | E580-S584 WeakPolarHBondContact O-CB 3.39Å; E580-S584 PolarHBondContact O-N 2.81Å; E580-S584 VanDerWaalsContact O-N 3.07Å |
| 581 | S | 49.7 | Very low | 46.8 | Very low | 52 Ų | 52 | 116.5 Ų | 116.5 | 36% | 0.364 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.6 | -37.6 | 175.3 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | G577 E578 S584 L585 | G577-S581 WeakPolarHBondContact O-CB 3.49Å; G577-S581 PolarHBondContact O-N 2.92Å; G577-S581 PolarHBondContact O-OG 2.65Å; E578-S581 WeakPolarHBondContact CA-OG 3.36Å; E578-S581 PolarHBondContact O-OG 2.98Å; E578-S581 VanDerWaalsContact O-OG 3.1Å; S581-S584 PolarHBondContact O-N 2.98Å; S581-L585 WeakPolarHBondContact O-CB 3.48Å; S581-L585 WeakPolarHBondContact O-CG 3.46Å; S581-L585 PolarHBondContact O-N 3.25Å |
| 582 | V | 47.9 | Very low | 47.2 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 42% | 0.418 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.2 | -32.7 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | E578 R586 | E578-V582 WeakPolarHBondContact O-CG2 3.37Å; E578-V582 PolarHBondContact O-N 3.39Å; V582-R586 WeakPolarHBondContact O-CB 3.46Å; V582-R586 VanDerWaalsContact O-CG 3.3Å; V582-R586 WeakPolarHBondContact O-CG 3.42Å; V582-R586 PolarHBondContact O-N 3.08Å; V582-R586 VanDerWaalsContact O-N 3.08Å |
| 583 | K | 46.9 | Very low | 47.8 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 61% | 0.613 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.1 | -45.8 | 170.4 | -85.8 | -180 | 176.5 | 174.8 | 0 | 111.4 | L585 R586 D587 | K583-L585 VanDerWaalsContact C-N 3.26Å; K583-L585 PolarHBondContact O-N 3.36Å; K583-R586 PolarHBondContact O-N 3.46Å; K583-D587 VanDerWaalsContact O-CG 3.31Å; K583-D587 PolarHBondContact O-N 3.14Å |
| 584 | S | 52.4 | Low | 48.4 | Very low | 70 Ų | 70 | 110.8 Ų | 110.8 | 49% | 0.49 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59 | -35.8 | 175.1 | 177.7 | 0 | 0 | 0 | 0 | 112.9 | E580 S581 R588 | E580-S584 WeakPolarHBondContact O-CB 3.39Å; E580-S584 PolarHBondContact O-N 2.81Å; E580-S584 VanDerWaalsContact O-N 3.07Å; S581-S584 PolarHBondContact O-N 2.98Å; S584-R588 WeakPolarHBondContact O-CB 3.42Å; S584-R588 PolarHBondContact O-N 3.09Å; S584-R588 VanDerWaalsContact O-N 3.17Å |
| 585 | L | 48.9 | Very low | 48.8 | Very low | 81 Ų | 81 | 107.1 Ų | 107.1 | 42% | 0.424 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76.3 | -36 | 178.5 | -74.1 | 168.1 | 0 | 0 | 0 | 112.2 | S581 K583 R588 V589 L625 | S581-L585 WeakPolarHBondContact O-CB 3.48Å; S581-L585 WeakPolarHBondContact O-CG 3.46Å; S581-L585 PolarHBondContact O-N 3.25Å; K583-L585 VanDerWaalsContact C-N 3.26Å; K583-L585 PolarHBondContact O-N 3.36Å; L585-R588 PolarHBondContact O-N 3.24Å; L585-V589 VanDerWaalsContact O-CG2 3.26Å; L585-V589 WeakPolarHBondContact O-CG2 3.35Å; L585-V589 PolarHBondContact O-N 3.4Å; L585-L625 HydrophobicContact CD2-CD2 4Å |
| 586 | R | 51.5 | Low | 49 | Very low | 176 Ų | 176 | 103 Ų | 103 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | 173.5 | -76.5 | 177.7 | -170 | -159.6 | 2.9 | 112 | V582 K583 R588 V589 V590 | V582-R586 WeakPolarHBondContact O-CB 3.46Å; V582-R586 VanDerWaalsContact O-CG 3.3Å; V582-R586 WeakPolarHBondContact O-CG 3.42Å; V582-R586 PolarHBondContact O-N 3.08Å; V582-R586 VanDerWaalsContact O-N 3.08Å; K583-R586 PolarHBondContact O-N 3.46Å; R586-R588 VanDerWaalsContact C-N 3.31Å; R586-R588 PolarHBondContact O-N 3.07Å; R586-V589 PolarHBondContact O-N 3.45Å; R586-V590 WeakPolarHBondContact O-CG2 3.35Å; R586-V590 PolarHBondContact O-N 2.98Å; R586-V590 VanDerWaalsContact O-N 3.08Å |
| 587 | D | 54.8 | Low | 49.8 | Very low | 109 Ų | 109 | 95.9 Ų | 95.9 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.2 | -34.2 | 177.3 | -65.3 | -21.7 | 0 | 0 | 0 | 111.4 | K583 V590 E591 | K583-D587 VanDerWaalsContact O-CG 3.31Å; K583-D587 PolarHBondContact O-N 3.14Å; D587-V590 PolarHBondContact O-N 3.39Å; D587-E591 PolarHBondContact O-N 3.02Å |
| 588 | R | 56.4 | Low | 50.2 | Low | 158 Ų | 158 | 99.8 Ų | 99.8 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.9 | -35.4 | 173.9 | -148.8 | 82.7 | 123.7 | 175 | -0.2 | 113.2 | S584 L585 R586 L592 | S584-R588 WeakPolarHBondContact O-CB 3.42Å; S584-R588 PolarHBondContact O-N 3.09Å; S584-R588 VanDerWaalsContact O-N 3.17Å; L585-R588 PolarHBondContact O-N 3.24Å; R586-R588 VanDerWaalsContact C-N 3.31Å; R586-R588 PolarHBondContact O-N 3.07Å; R588-L592 VanDerWaalsContact O-CG 3.3Å; R588-L592 WeakPolarHBondContact O-CG 3.44Å; R588-L592 PolarHBondContact O-N 3.41Å; R588-L592 VanDerWaalsContact O-N 3.08Å |
| 589 | V | 51.5 | Low | 50.4 | Low | 74 Ų | 74 | 98 Ų | 98 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 175.4 | 168 | 0 | 0 | 0 | 0 | 110.4 | L585 R586 L592 E593 | L585-V589 VanDerWaalsContact O-CG2 3.26Å; L585-V589 WeakPolarHBondContact O-CG2 3.35Å; L585-V589 PolarHBondContact O-N 3.4Å; R586-V589 PolarHBondContact O-N 3.45Å; V589-L592 PolarHBondContact O-N 3.13Å; V589-E593 WeakPolarHBondContact O-CG 3.36Å; V589-E593 PolarHBondContact O-N 3.22Å |
| 590 | V | 58.9 | Low | 50.5 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | R586 D587 A594 | R586-V590 WeakPolarHBondContact O-CG2 3.35Å; R586-V590 PolarHBondContact O-N 2.98Å; R586-V590 VanDerWaalsContact O-N 3.08Å; D587-V590 PolarHBondContact O-N 3.39Å; V590-A594 WeakPolarHBondContact O-CB 3.32Å; V590-A594 PolarHBondContact O-N 3.47Å |
| 591 | E | 54.3 | Low | 50.5 | Low | 129 Ų | 129 | 102.4 Ų | 102.4 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -38.9 | 172.1 | -86.6 | -175.6 | 152.9 | 0 | 0 | 112.9 | D587 A594 A595 | D587-E591 PolarHBondContact O-N 3.02Å; E591-A594 PolarHBondContact O-N 2.84Å; E591-A595 WeakPolarHBondContact O-CB 3.5Å; E591-A595 PolarHBondContact O-N 3.43Å |
| 592 | L | 49.7 | Very low | 50.1 | Low | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.8 | -35.2 | 179.3 | -74.5 | 169.1 | 0 | 0 | 0 | 112.6 | R588 V589 A595 L596 | R588-L592 VanDerWaalsContact O-CG 3.3Å; R588-L592 WeakPolarHBondContact O-CG 3.44Å; R588-L592 PolarHBondContact O-N 3.41Å; R588-L592 VanDerWaalsContact O-N 3.08Å; V589-L592 PolarHBondContact O-N 3.13Å; L592-A595 PolarHBondContact O-N 2.95Å; L592-L596 WeakPolarHBondContact O-CB 3.39Å; L592-L596 PolarHBondContact O-N 3.31Å |
| 593 | E | 49.3 | Very low | 49.5 | Very low | 125 Ų | 125 | 104.9 Ų | 104.9 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.7 | -37.2 | 173 | -73.8 | 177.4 | 169.8 | 0 | 0 | 111.7 | V589 L596 A597 | V589-E593 WeakPolarHBondContact O-CG 3.36Å; V589-E593 PolarHBondContact O-N 3.22Å; E593-L596 PolarHBondContact O-N 2.95Å; E593-A597 WeakPolarHBondContact O-CB 3.43Å; E593-A597 PolarHBondContact O-N 3.47Å |
| 594 | A | 53.7 | Low | 49.2 | Very low | 51 Ų | 51 | 107.5 Ų | 107.5 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.3 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | V590 E591 L596 A597 E598 | V590-A594 WeakPolarHBondContact O-CB 3.32Å; V590-A594 PolarHBondContact O-N 3.47Å; E591-A594 PolarHBondContact O-N 2.84Å; A594-L596 VanDerWaalsContact C-N 3.33Å; A594-L596 PolarHBondContact O-N 3.29Å; A594-A597 PolarHBondContact O-N 3.22Å; A594-E598 PolarHBondContact O-N 3.43Å |
| 595 | A | 51.9 | Low | 48.7 | Very low | 53 Ų | 53 | 112.6 Ų | 112.6 | 44% | 0.438 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66 | -32.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E591 L592 S599 | E591-A595 WeakPolarHBondContact O-CB 3.5Å; E591-A595 PolarHBondContact O-N 3.43Å; L592-A595 PolarHBondContact O-N 2.95Å; A595-S599 PolarHBondContact O-N 2.88Å |
| 596 | L | 49 | Very low | 48 | Very low | 90 Ų | 90 | 117.8 Ų | 117.8 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.9 | -37.4 | 172.1 | -87.7 | 162.1 | 0 | 0 | 0 | 112 | L592 E593 A594 S599 | L592-L596 WeakPolarHBondContact O-CB 3.39Å; L592-L596 PolarHBondContact O-N 3.31Å; E593-L596 PolarHBondContact O-N 2.95Å; A594-L596 VanDerWaalsContact C-N 3.33Å; A594-L596 PolarHBondContact O-N 3.29Å; L596-S599 PolarHBondContact O-OG 2.82Å |
| 597 | A | 50.5 | Low | 47.3 | Very low | 57 Ų | 57 | 114.1 Ų | 114.1 | 47% | 0.471 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.3 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E593 A594 S599 R600 | E593-A597 WeakPolarHBondContact O-CB 3.43Å; E593-A597 PolarHBondContact O-N 3.47Å; A594-A597 PolarHBondContact O-N 3.22Å; A597-S599 VanDerWaalsContact C-N 3.35Å; A597-S599 PolarHBondContact O-N 2.95Å; A597-R600 PolarHBondContact O-N 2.85Å |
| 598 | E | 47.3 | Very low | 47 | Very low | 141 Ų | 141 | 113.8 Ų | 113.8 | 66% | 0.659 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 176 | -74.4 | -179.3 | 171.4 | 0 | 0 | 111.9 | A594 R600 T601 | A594-E598 PolarHBondContact O-N 3.43Å; E598-R600 PolarHBondContact O-N 3.04Å; E598-T601 PolarHBondContact O-N 3.29Å; E598-T601 VanDerWaalsContact O-N 3.1Å; E598-T601 PolarHBondContact O-OG1 3.25Å |
| 599 | S | 47.5 | Very low | 46.5 | Very low | 43 Ų | 43 | 111.4 Ų | 111.4 | 30% | 0.301 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -15 | 178.3 | 75.8 | 0 | 0 | 0 | 0 | 115.1 | A595 L596 A597 | A595-S599 PolarHBondContact O-N 2.88Å; L596-S599 PolarHBondContact O-OG 2.82Å; A597-S599 VanDerWaalsContact C-N 3.35Å; A597-S599 PolarHBondContact O-N 2.95Å |
| 600 | R | 47.1 | Very low | 46.1 | Very low | 220 Ų | 220 | 110.6 Ų | 110.6 | 83% | 0.83 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -8 | 175.1 | -72.1 | 179.5 | 175.5 | -177.8 | -0.5 | 113.3 | A597 E598 | A597-R600 PolarHBondContact O-N 2.85Å; E598-R600 PolarHBondContact O-N 3.04Å |
| 601 | T | 41.9 | Very low | 45.3 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -3.2 | -174.3 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | E598 | E598-T601 PolarHBondContact O-N 3.29Å; E598-T601 VanDerWaalsContact O-N 3.1Å; E598-T601 PolarHBondContact O-OG1 3.25Å |
| 602 | S | 39.9 | Very low | 44.9 | Very low | 93 Ų | 93 | 108.3 Ų | 108.3 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -112.3 | 110.3 | 175.8 | 65 | 0 | 0 | 0 | 0 | 112.5 | ||
| 603 | G | 35.6 | Very low | 44.7 | Very low | 80 Ų | 80 | 107.5 Ų | 107.5 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | trans | 95.8 | 107 | 138.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 604 | K | 41.6 | Very low | 44.6 | Very low | 195 Ų | 195 | 108.1 Ų | 108.1 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | trans | -48.2 | 153.4 | 160.4 | -68.9 | 167.6 | 171 | -178.6 | 0 | 114.2 | ||||
| 605 | E | 40.7 | Very low | 44.4 | Very low | 177 Ų | 177 | 109.1 Ų | 109.1 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | trans | 59.9 | 111.3 | 151.7 | -70.5 | 174.8 | 166.9 | 0 | 0 | 118.5 | ||||
| 606 | E | 35.8 | Very low | 44.4 | Very low | 191 Ų | 191 | 113 Ų | 113 | 89% | 0.893 | 65% | 0.652 | S | S | * | * | 143.9 | 136.8 | 128.1 | -78.7 | -167 | 160.3 | 0 | 0 | 114.1 | |||||
| 607 | A | 35.3 | Very low | 44.6 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | trans | 67.6 | 119.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 608 | A | 48.6 | Very low | 44.5 | Very low | 103 Ų | 103 | 117.9 Ų | 117.9 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -52 | 155.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 609 | A | 46.2 | Very low | 44.4 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 89% | 0.893 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 102.4 | 7.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 610 | G | 44.2 | Very low | 44.9 | Very low | 56 Ų | 56 | 120 Ų | 120 | 58% | 0.577 | 66% | 0.664 | S | S | * | * | trans | -105.1 | -16 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 611 | D | 41.4 | Very low | 45.1 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -84.1 | -23.1 | -162.1 | -129.9 | 1.2 | 0 | 0 | 0 | 114.2 | R614 V615 | D611-R614 PolarHBondContact O-N 2.87Å; D611-V615 WeakPolarHBondContact O-CG2 3.24Å; D611-V615 PolarHBondContact O-N 2.96Å |
| 612 | G | 46.3 | Very low | 45.3 | Very low | 45 Ų | 45 | 116.6 Ų | 116.6 | 46% | 0.464 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -69.6 | -36.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R614 R616 | G612-R614 VanDerWaalsContact C-N 3.29Å; G612-R614 PolarHBondContact O-N 3.1Å; G612-R616 WeakPolarHBondContact O-CB 3.4Å; G612-R616 PolarHBondContact O-N 3.44Å |
| 613 | D | 45.4 | Very low | 45.9 | Very low | 82 Ų | 82 | 115 Ų | 115 | 44% | 0.439 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -75.4 | -21 | -178.9 | -74.3 | -12.2 | 0 | 0 | 0 | 112.6 | R616 R617 | D613-R616 IonicContact OD1-CZ 3.23Å; D613-R616 IonicContact OD1-NH1 3.37Å; D613-R616 PolarHBondContact OD1-NH1 2.93Å; D613-R616 IonicContact OD1-NH2 2.76Å; D613-R617 WeakPolarHBondContact O-CG 3.32Å; D613-R617 PolarHBondContact O-N 3.37Å; D613-R617 PolarHBondContact O-NE 3.49Å; D613-R617 PolarHBondContact O-NH2 2.98Å |
| 614 | R | 47.1 | Very low | 47 | Very low | 138 Ų | 138 | 116.7 Ų | 116.7 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -80.5 | -40.2 | 176.2 | -160.3 | 173.2 | -176.4 | -160.3 | -1.3 | 111 | D611 G612 L618 | D611-R614 PolarHBondContact O-N 2.87Å; G612-R614 VanDerWaalsContact C-N 3.29Å; G612-R614 PolarHBondContact O-N 3.1Å; R614-L618 WeakPolarHBondContact O-CG 3.43Å; R614-L618 PolarHBondContact O-N 3.04Å |
| 615 | V | 49.2 | Very low | 47.2 | Very low | 73 Ų | 73 | 111 Ų | 111 | 44% | 0.442 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.5 | -41.4 | 173.9 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | D611 R617 L618 Q619 | D611-V615 WeakPolarHBondContact O-CG2 3.24Å; D611-V615 PolarHBondContact O-N 2.96Å; V615-R617 PolarHBondContact O-N 2.85Å; V615-L618 PolarHBondContact O-N 3.49Å; V615-Q619 HydrophobicContact CG1-CG 4.43Å; V615-Q619 WeakPolarHBondContact O-CG 3.26Å; V615-Q619 PolarHBondContact O-N 3.04Å |
| 616 | R | 51.7 | Low | 47.2 | Very low | 133 Ų | 133 | 108 Ų | 108 | 50% | 0.502 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.1 | -42.5 | 177.9 | -161.8 | -176.4 | -61.5 | 121.9 | 4.2 | 112.5 | G612 D613 L618 Q619 E620 | G612-R616 WeakPolarHBondContact O-CB 3.4Å; G612-R616 PolarHBondContact O-N 3.44Å; D613-R616 IonicContact OD1-CZ 3.23Å; D613-R616 IonicContact OD1-NH1 3.37Å; D613-R616 PolarHBondContact OD1-NH1 2.93Å; D613-R616 IonicContact OD1-NH2 2.76Å; R616-L618 VanDerWaalsContact C-N 3.33Å; R616-L618 PolarHBondContact O-N 2.92Å; R616-Q619 PolarHBondContact O-N 2.82Å; R616-E620 WeakPolarHBondContact O-CG 3.33Å; R616-E620 PolarHBondContact O-N 3.15Å |
| 617 | R | 53.7 | Low | 48 | Very low | 160 Ų | 160 | 100.4 Ų | 100.4 | 60% | 0.604 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.7 | -32.4 | 176 | -80.3 | -179.9 | -76.4 | -146.1 | -1 | 113.5 | D613 V615 R621 | D613-R617 WeakPolarHBondContact O-CG 3.32Å; D613-R617 PolarHBondContact O-N 3.37Å; D613-R617 PolarHBondContact O-NE 3.49Å; D613-R617 PolarHBondContact O-NH2 2.98Å; V615-R617 PolarHBondContact O-N 2.85Å; R617-R621 WeakPolarHBondContact O-CB 3.2Å; R617-R621 PolarHBondContact O-N 3.46Å |
| 618 | L | 47.8 | Very low | 48.5 | Very low | 91 Ų | 91 | 101.3 Ų | 101.3 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.9 | -33.6 | 175.2 | -71 | 170.1 | 0 | 0 | 0 | 112 | R614 V615 R616 L622 | R614-L618 WeakPolarHBondContact O-CG 3.43Å; R614-L618 PolarHBondContact O-N 3.04Å; V615-L618 PolarHBondContact O-N 3.49Å; R616-L618 VanDerWaalsContact C-N 3.33Å; R616-L618 PolarHBondContact O-N 2.92Å; L618-L622 PolarHBondContact O-N 2.95Å; L618-L622 VanDerWaalsContact O-N 3.07Å |
| 619 | Q | 46.3 | Very low | 48.2 | Very low | 119 Ų | 119 | 102.7 Ų | 102.7 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.6 | -40.6 | 174.1 | -73.1 | 171.8 | -21.7 | 0 | 0 | 112.3 | V615 R616 R621 L622 A623 | V615-Q619 HydrophobicContact CG1-CG 4.43Å; V615-Q619 WeakPolarHBondContact O-CG 3.26Å; V615-Q619 PolarHBondContact O-N 3.04Å; R616-Q619 PolarHBondContact O-N 2.82Å; Q619-R621 VanDerWaalsContact C-N 3.33Å; Q619-R621 PolarHBondContact O-N 3.44Å; Q619-L622 PolarHBondContact O-N 3.17Å; Q619-A623 PolarHBondContact O-N 3.02Å |
| 620 | E | 57.9 | Low | 48.1 | Very low | 109 Ų | 109 | 107.7 Ų | 107.7 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 174.1 | -74.5 | 166.9 | -179.6 | 0 | 0 | 111.6 | R616 A623 E624 | R616-E620 WeakPolarHBondContact O-CG 3.33Å; R616-E620 PolarHBondContact O-N 3.15Å; E620-A623 PolarHBondContact O-N 3.45Å; E620-E624 PolarHBondContact O-N 3.07Å |
| 621 | R | 50.8 | Low | 48.2 | Very low | 165 Ų | 165 | 113.5 Ų | 113.5 | 62% | 0.623 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.3 | -34.1 | 177.5 | -153.3 | 73.4 | 158.3 | -172.5 | -3.1 | 113.1 | R617 Q619 E624 L625 | R617-R621 WeakPolarHBondContact O-CB 3.2Å; R617-R621 PolarHBondContact O-N 3.46Å; Q619-R621 VanDerWaalsContact C-N 3.33Å; Q619-R621 PolarHBondContact O-N 3.44Å; R621-E624 IonicContact NH1-OE2 3.84Å; R621-L625 WeakPolarHBondContact O-CG 3.43Å; R621-L625 PolarHBondContact O-N 2.79Å |
| 622 | L | 45 | Very low | 48.1 | Very low | 106 Ų | 106 | 110.9 Ų | 110.9 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 172.8 | -89.4 | 162.8 | 0 | 0 | 0 | 111.4 | L618 Q619 E624 L625 E626 | L618-L622 PolarHBondContact O-N 2.95Å; L618-L622 VanDerWaalsContact O-N 3.07Å; Q619-L622 PolarHBondContact O-N 3.17Å; L622-E624 PolarHBondContact O-N 2.97Å; L622-L625 PolarHBondContact O-N 3.17Å; L622-E626 WeakPolarHBondContact O-CG 3.08Å; L622-E626 PolarHBondContact O-N 3.37Å |
| 623 | A | 54 | Low | 47.5 | Very low | 59 Ų | 59 | 114.2 Ų | 114.2 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q619 E620 G627 | Q619-A623 PolarHBondContact O-N 3.02Å; E620-A623 PolarHBondContact O-N 3.45Å; A623-G627 PolarHBondContact O-N 3.33Å |
| 624 | E | 57.8 | Low | 46.9 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.7 | -46.4 | 172 | -79.7 | 179.2 | 157.4 | 0 | 0 | 111.7 | E620 R621 L622 E626 G627 E628 | E620-E624 PolarHBondContact O-N 3.07Å; R621-E624 IonicContact NH1-OE2 3.84Å; L622-E624 PolarHBondContact O-N 2.97Å; E624-E626 PolarHBondContact O-N 3.03Å; E624-G627 PolarHBondContact O-N 3.5Å; E624-G627 VanDerWaalsContact O-N 3.17Å; E624-E628 WeakPolarHBondContact O-CG 3.47Å; E624-E628 PolarHBondContact O-N 3.24Å |
| 625 | L | 45.4 | Very low | 46.8 | Very low | 76 Ų | 76 | 120.8 Ų | 120.8 | 40% | 0.398 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.9 | -35.1 | 179.5 | -70.8 | 169.6 | 0 | 0 | 0 | 112.8 | L585 R621 L622 E628 L629 | L585-L625 HydrophobicContact CD2-CD2 4Å; R621-L625 WeakPolarHBondContact O-CG 3.43Å; R621-L625 PolarHBondContact O-N 2.79Å; L622-L625 PolarHBondContact O-N 3.17Å; L625-E628 PolarHBondContact O-N 2.98Å; L625-L629 PolarHBondContact O-N 3.45Å; L625-L629 VanDerWaalsContact O-N 3.08Å |
| 626 | E | 41.7 | Very low | 46.3 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.2 | -33 | 172.6 | -72.8 | 179.7 | 175.5 | 0 | 0 | 112.5 | L622 E624 R630 | L622-E626 WeakPolarHBondContact O-CG 3.08Å; L622-E626 PolarHBondContact O-N 3.37Å; E624-E626 PolarHBondContact O-N 3.03Å; E626-R630 WeakPolarHBondContact O-CG 3.48Å; E626-R630 PolarHBondContact O-N 3.26Å |
| 627 | G | 51.5 | Low | 45.3 | Very low | 31 Ų | 31 | 124.6 Ų | 124.6 | 32% | 0.32 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.2 | -33.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A623 E624 | A623-G627 PolarHBondContact O-N 3.33Å; E624-G627 PolarHBondContact O-N 3.5Å; E624-G627 VanDerWaalsContact O-N 3.17Å |
| 628 | E | 46.9 | Very low | 44.1 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.1 | -38.8 | 174.4 | -71.2 | 180 | 169.6 | 0 | 0 | 111.8 | E624 L625 R630 K631 | E624-E628 WeakPolarHBondContact O-CG 3.47Å; E624-E628 PolarHBondContact O-N 3.24Å; L625-E628 PolarHBondContact O-N 2.98Å; E628-R630 VanDerWaalsContact C-N 3.28Å; E628-R630 PolarHBondContact O-N 3.23Å; E628-K631 PolarHBondContact O-N 3.33Å; E628-K631 VanDerWaalsContact O-N 3.13Å |
| 629 | L | 42.2 | Very low | 43.4 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.2 | -31.8 | 175.4 | -167 | 69.9 | 0 | 0 | 0 | 112.8 | L625 K631 | L625-L629 PolarHBondContact O-N 3.45Å; L625-L629 VanDerWaalsContact O-N 3.08Å; L629-K631 VanDerWaalsContact C-N 3.29Å; L629-K631 PolarHBondContact O-N 3.35Å |
| 630 | R | 43.6 | Very low | 42.5 | Very low | 214 Ų | 214 | 131 Ų | 131 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -15.8 | 176.4 | -75.5 | -178.5 | -169.6 | -147.6 | 4.6 | 114.3 | E626 E628 | E626-R630 WeakPolarHBondContact O-CG 3.48Å; E626-R630 PolarHBondContact O-N 3.26Å; E628-R630 VanDerWaalsContact C-N 3.28Å; E628-R630 PolarHBondContact O-N 3.23Å |
| 631 | K | 46.1 | Very low | 41.2 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 77% | 0.774 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -11.3 | 179.5 | -70.9 | 175.4 | -177.3 | 172.8 | 0 | 113.5 | E628 L629 | E628-K631 PolarHBondContact O-N 3.33Å; E628-K631 VanDerWaalsContact O-N 3.13Å; L629-K631 VanDerWaalsContact C-N 3.29Å; L629-K631 PolarHBondContact O-N 3.35Å |
| 632 | C | 39.4 | Very low | 40.3 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 49% | 0.486 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -99.5 | 20.1 | -174.4 | -69.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 633 | V | 33.7 | Very low | 39.6 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | trans | -126 | 110.7 | 175.9 | -175 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 634 | P | 33.3 | Very low | 38.7 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | -71.8 | 135 | 174.9 | -14.5 | 29.1 | 0 | 0 | 0 | 112 | ||||
| 635 | R | 44.7 | Very low | 37.6 | Very low | 248 Ų | 248 | 142.8 Ų | 142.8 | 94% | 0.936 | 72% | 0.719 | S | S | * | * | trans | -102.7 | 105.9 | 172.5 | -83.7 | 179.1 | 167.9 | 178 | -4.7 | 110.2 | ||||
| 636 | S | 38.3 | Very low | 37.2 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 175.8 | 113.1 | 162.7 | 42.7 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 637 | E | 32.1 | Very low | 37.2 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | -155.3 | 131.5 | 53.8 | -71.9 | 159.7 | 179.1 | 0 | 0 | 109.1 | |||||
| 638 | L | 28.1 | Very low | 36.9 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | -154.6 | 109.5 | 161.8 | -122.6 | 125.9 | 0 | 0 | 0 | 105.9 | ||||
| 639 | D | 31.6 | Very low | 36.9 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | -168.8 | 151.2 | 129.6 | -88.6 | -23.6 | 0 | 0 | 0 | 110.7 | |||||
| 640 | E | 29.2 | Very low | 37.6 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | 92.5 | 117.8 | 172.2 | -62 | -174 | -176.5 | 0 | 0 | 116.5 | ||||
| 641 | V | 29.5 | Very low | 38 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | cis | -149.5 | 149.9 | 3.6 | 153.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 642 | Q | 32.3 | Very low | 38.6 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | trans | -61.7 | 153.7 | -173.9 | -59.4 | 159.9 | -10.3 | 0 | 0 | 116.1 | ||||
| 643 | L | 30.4 | Very low | 39.6 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -161.6 | 111.1 | 131.1 | -101.2 | 156.7 | 0 | 0 | 0 | 112.8 | ||||
| 644 | K | 34.6 | Very low | 41.3 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 74.9 | 116.3 | 148.4 | -68.3 | 171 | -175.8 | 176.4 | 0 | 121 | ||
| 645 | D | 35 | Very low | 42.7 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 89% | 0.893 | 69% | 0.685 | S | S | * | * | trans | 77.4 | 44.6 | 161.6 | -53.1 | -17 | 0 | 0 | 0 | 118.9 | ||||
| 646 | A | 36.6 | Very low | 43.7 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 76% | 0.76 | 65% | 0.651 | S | S | * | * | trans | -120.1 | 122.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 647 | V | 41.3 | Very low | 45.3 | Very low | 107 Ų | 107 | 120 Ų | 120 | 65% | 0.648 | 63% | 0.633 | S | S | * | * | trans | -67.6 | 126.6 | 169.4 | 176.7 | 0 | 0 | 0 | 0 | 108.1 | L649 K651 | V647-L649 PolarHBondContact O-N 3.27Å; V647-K651 HydrophobicContact CG1-CB 3.66Å | ||
| 648 | P | 46.2 | Very low | 47.3 | Very low | 62 Ų | 62 | 113.2 Ų | 113.2 | 40% | 0.403 | 61% | 0.609 | S | S | . | * | trans | -51.8 | 138.5 | 179 | -27.5 | 32.6 | 0 | 0 | 0 | 112.4 | S650 K651 H652 | P648-S650 PolarHBondContact O-N 2.99Å; P648-K651 HydrophobicContact CB-CB 4.46Å; P648-K651 HydrophobicContact CB-CG 4.23Å; P648-K651 HydrophobicContact CG-CD 4.22Å; P648-K651 HydrophobicContact CG-CG 4.27Å; P648-K651 WeakPolarHBondContact O-CA 3.2Å; P648-K651 WeakPolarHBondContact O-CB 3.47Å; P648-K651 PolarHBondContact O-N 2.94Å; P648-H652 PolarHBondContact O-N 3.34Å | ||
| 649 | L | 47.4 | Very low | 49.3 | Very low | 120 Ų | 120 | 106.1 Ų | 106.1 | 63% | 0.628 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -54.9 | -26.8 | 177.5 | -161.8 | 104.5 | 0 | 0 | 0 | 112.3 | V647 K653 | V647-L649 PolarHBondContact O-N 3.27Å; L649-K653 HydrophobicContact CD2-CD 4.16Å; L649-K653 VanDerWaalsContact CD2-CE 3.44Å; L649-K653 VanDerWaalsContact O-CB 3.29Å; L649-K653 WeakPolarHBondContact O-CB 3.41Å; L649-K653 WeakPolarHBondContact O-CG 3.48Å; L649-K653 PolarHBondContact O-N 3Å |
| 650 | S | 57 | Low | 51.2 | Low | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.8 | -49.9 | 170 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | P648 H652 K653 E654 | P648-S650 PolarHBondContact O-N 2.99Å; S650-H652 VanDerWaalsContact C-N 3.33Å; S650-H652 PolarHBondContact O-N 2.93Å; S650-K653 PolarHBondContact O-N 3.31Å; S650-E654 WeakPolarHBondContact O-CB 3.38Å; S650-E654 VanDerWaalsContact O-CG 3.24Å; S650-E654 WeakPolarHBondContact O-CG 3.47Å; S650-E654 PolarHBondContact O-N 2.91Å |
| 651 | K | 51.6 | Low | 53.7 | Low | 126 Ų | 126 | 97.6 Ų | 97.6 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 177 | -65.4 | -166.4 | -173.6 | 178.2 | 0 | 112.6 | V647 P648 A655 | V647-K651 HydrophobicContact CG1-CB 3.66Å; P648-K651 HydrophobicContact CB-CB 4.46Å; P648-K651 HydrophobicContact CB-CG 4.23Å; P648-K651 HydrophobicContact CG-CD 4.22Å; P648-K651 HydrophobicContact CG-CG 4.27Å; P648-K651 WeakPolarHBondContact O-CA 3.2Å; P648-K651 WeakPolarHBondContact O-CB 3.47Å; P648-K651 PolarHBondContact O-N 2.94Å; K651-A655 VanDerWaalsContact O-CB 3.29Å; K651-A655 WeakPolarHBondContact O-CB 3.11Å; K651-A655 PolarHBondContact O-N 3.48Å |
| 652 | H | 58.2 | Low | 55.9 | Low | 74 Ų | 74 | 96.1 Ų | 96.1 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 173.9 | -177.3 | 62.2 | 0 | 0 | 0 | 112.1 | P648 S650 A655 L656 | P648-H652 PolarHBondContact O-N 3.34Å; S650-H652 VanDerWaalsContact C-N 3.33Å; S650-H652 PolarHBondContact O-N 2.93Å; H652-A655 PolarHBondContact O-N 3.43Å; H652-L656 WeakPolarHBondContact NE2-CD1 3.43Å; H652-L656 WeakPolarHBondContact O-CB 3.3Å; H652-L656 WeakPolarHBondContact O-CG 3.23Å; H652-L656 PolarHBondContact O-N 2.9Å |
| 653 | K | 60.9 | Low | 58.2 | Low | 128 Ų | 128 | 88.5 Ų | 88.5 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.7 | -39 | 173.1 | -78.2 | 174.1 | 177.9 | 179.9 | 0 | 112.4 | L649 S650 L656 S657 | L649-K653 HydrophobicContact CD2-CD 4.16Å; L649-K653 VanDerWaalsContact CD2-CE 3.44Å; L649-K653 VanDerWaalsContact O-CB 3.29Å; L649-K653 WeakPolarHBondContact O-CB 3.41Å; L649-K653 WeakPolarHBondContact O-CG 3.48Å; L649-K653 PolarHBondContact O-N 3Å; S650-K653 PolarHBondContact O-N 3.31Å; K653-L656 PolarHBondContact O-N 2.81Å; K653-S657 WeakPolarHBondContact O-CB 3.13Å; K653-S657 PolarHBondContact O-N 2.92Å; K653-S657 PolarHBondContact O-OG 2.71Å |
| 654 | E | 69.4 | Low | 60.5 | Low | 121 Ų | 121 | 84.1 Ų | 84.1 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 173.2 | -74.4 | 164 | -162.5 | 0 | 0 | 111.3 | S650 S657 A658 | S650-E654 WeakPolarHBondContact O-CB 3.38Å; S650-E654 VanDerWaalsContact O-CG 3.24Å; S650-E654 WeakPolarHBondContact O-CG 3.47Å; S650-E654 PolarHBondContact O-N 2.91Å; E654-S657 WeakPolarHBondContact CA-OG 3.25Å; E654-S657 PolarHBondContact O-N 2.86Å; E654-S657 PolarHBondContact O-OG 3.39Å; E654-A658 WeakPolarHBondContact O-CB 3.08Å; E654-A658 PolarHBondContact O-N 2.85Å |
| 655 | A | 62.6 | Low | 62.8 | Low | 41 Ų | 41 | 81.1 Ų | 81.1 | 34% | 0.339 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K651 H652 A658 V659 | K651-A655 VanDerWaalsContact O-CB 3.29Å; K651-A655 WeakPolarHBondContact O-CB 3.11Å; K651-A655 PolarHBondContact O-N 3.48Å; H652-A655 PolarHBondContact O-N 3.43Å; A655-A658 PolarHBondContact O-N 3.46Å; A655-V659 WeakPolarHBondContact O-CB 3.4Å; A655-V659 VanDerWaalsContact O-CG2 3.23Å; A655-V659 WeakPolarHBondContact O-CG2 3.35Å; A655-V659 PolarHBondContact O-N 2.9Å |
| 656 | L | 65.9 | Low | 64.8 | Low | 42 Ų | 42 | 74 Ų | 74 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.7 | -83.4 | 170.2 | 0 | 0 | 0 | 112.5 | H652 K653 S660 Q745 Q746 | H652-L656 WeakPolarHBondContact NE2-CD1 3.43Å; H652-L656 WeakPolarHBondContact O-CB 3.3Å; H652-L656 WeakPolarHBondContact O-CG 3.23Å; H652-L656 PolarHBondContact O-N 2.9Å; K653-L656 PolarHBondContact O-N 2.81Å; L656-S660 VanDerWaalsContact O-CB 3.28Å; L656-S660 WeakPolarHBondContact O-CB 3.31Å; L656-S660 PolarHBondContact O-N 3.29Å; L656-S660 PolarHBondContact O-OG 3.12Å; L656-Q745 HydrophobicContact CD2-CB 3.79Å; L656-Q746 HydrophobicContact CD2-CG 4.41Å |
| 657 | S | 72 | Confident | 66.6 | Low | 50 Ų | 50 | 72.8 Ų | 72.8 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 176.1 | 64.6 | 0 | 0 | 0 | 0 | 110.6 | K653 E654 V659 S660 E661 | K653-S657 WeakPolarHBondContact O-CB 3.13Å; K653-S657 PolarHBondContact O-N 2.92Å; K653-S657 PolarHBondContact O-OG 2.71Å; E654-S657 WeakPolarHBondContact CA-OG 3.25Å; E654-S657 PolarHBondContact O-N 2.86Å; E654-S657 PolarHBondContact O-OG 3.39Å; S657-V659 PolarHBondContact O-N 3.17Å; S657-S660 WeakPolarHBondContact CA-OG 3.49Å; S657-S660 PolarHBondContact O-N 2.65Å; S657-S660 VanDerWaalsContact O-N 3.13Å; S657-S660 PolarHBondContact O-OG 3.11Å; S657-E661 WeakPolarHBondContact O-CB 3.34Å; S657-E661 WeakPolarHBondContact O-CG 3.48Å; S657-E661 PolarHBondContact O-N 3.3Å |
| 658 | A | 73.6 | Confident | 68.7 | Low | 41 Ų | 41 | 73.3 Ų | 73.3 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E654 A655 S660 E661 Q662 | E654-A658 WeakPolarHBondContact O-CB 3.08Å; E654-A658 PolarHBondContact O-N 2.85Å; A655-A658 PolarHBondContact O-N 3.46Å; A658-S660 VanDerWaalsContact C-N 3.32Å; A658-S660 PolarHBondContact O-N 3.21Å; A658-E661 PolarHBondContact O-N 3.32Å; A658-Q662 WeakPolarHBondContact O-CB 3.23Å; A658-Q662 VanDerWaalsContact O-CG 3.3Å; A658-Q662 WeakPolarHBondContact O-CG 3.5Å; A658-Q662 PolarHBondContact O-N 3.49Å |
| 659 | V | 69.2 | Low | 70.3 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 10% | 0.097 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | A655 S657 L663 K742 | A655-V659 WeakPolarHBondContact O-CB 3.4Å; A655-V659 VanDerWaalsContact O-CG2 3.23Å; A655-V659 WeakPolarHBondContact O-CG2 3.35Å; A655-V659 PolarHBondContact O-N 2.9Å; S657-V659 PolarHBondContact O-N 3.17Å; V659-L663 VanDerWaalsContact O-CB 3.3Å; V659-L663 WeakPolarHBondContact O-CB 3.45Å; V659-L663 PolarHBondContact O-N 3.32Å; V659-K742 HydrophobicContact CG1-CB 4.48Å |
| 660 | S | 71.4 | Confident | 71.9 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.9 | -34.8 | 176.3 | 77.1 | 0 | 0 | 0 | 0 | 113.4 | L656 S657 A658 L663 A664 | L656-S660 VanDerWaalsContact O-CB 3.28Å; L656-S660 WeakPolarHBondContact O-CB 3.31Å; L656-S660 PolarHBondContact O-N 3.29Å; L656-S660 PolarHBondContact O-OG 3.12Å; S657-S660 WeakPolarHBondContact CA-OG 3.49Å; S657-S660 PolarHBondContact O-N 2.65Å; S657-S660 VanDerWaalsContact O-N 3.13Å; S657-S660 PolarHBondContact O-OG 3.11Å; A658-S660 VanDerWaalsContact C-N 3.32Å; A658-S660 PolarHBondContact O-N 3.21Å; S660-L663 PolarHBondContact O-N 3.21Å; S660-A664 PolarHBondContact O-N 3.37Å |
| 661 | E | 81.7 | Confident | 73 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.9 | -43.1 | 174.6 | -76 | 173.1 | -170.1 | 0 | 0 | 110.8 | S657 A658 L663 A664 Q665 | S657-E661 WeakPolarHBondContact O-CB 3.34Å; S657-E661 WeakPolarHBondContact O-CG 3.48Å; S657-E661 PolarHBondContact O-N 3.3Å; A658-E661 PolarHBondContact O-N 3.32Å; E661-L663 VanDerWaalsContact C-N 3.3Å; E661-L663 PolarHBondContact O-N 2.77Å; E661-A664 PolarHBondContact O-N 2.94Å; E661-A664 VanDerWaalsContact O-N 3.13Å; E661-Q665 WeakPolarHBondContact O-CG 3.37Å; E661-Q665 PolarHBondContact O-N 3.46Å |
| 662 | Q | 76.5 | Confident | 74.6 | Confident | 100 Ų | 100 | 70 Ų | 70 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 172.4 | -74 | 178.2 | -20.6 | 0 | 0 | 111.8 | A658 A664 Q665 T666 | A658-Q662 WeakPolarHBondContact O-CB 3.23Å; A658-Q662 VanDerWaalsContact O-CG 3.3Å; A658-Q662 WeakPolarHBondContact O-CG 3.5Å; A658-Q662 PolarHBondContact O-N 3.49Å; Q662-A664 VanDerWaalsContact C-N 3.34Å; Q662-A664 PolarHBondContact O-N 3.41Å; Q662-Q665 PolarHBondContact O-N 3.07Å; Q662-T666 WeakPolarHBondContact O-CB 3.38Å; Q662-T666 WeakPolarHBondContact O-CG2 3.41Å; Q662-T666 PolarHBondContact O-N 2.83Å; Q662-T666 PolarHBondContact O-OG1 3.16Å |
| 663 | L | 79.6 | Confident | 75.5 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 173.9 | -172.7 | 74.1 | 0 | 0 | 0 | 112 | V659 S660 E661 T666 L667 L735 L738 K739 K742 | V659-L663 VanDerWaalsContact O-CB 3.3Å; V659-L663 WeakPolarHBondContact O-CB 3.45Å; V659-L663 PolarHBondContact O-N 3.32Å; S660-L663 PolarHBondContact O-N 3.21Å; E661-L663 VanDerWaalsContact C-N 3.3Å; E661-L663 PolarHBondContact O-N 2.77Å; L663-T666 WeakPolarHBondContact CA-OG1 3.48Å; L663-T666 PolarHBondContact O-OG1 2.96Å; L663-T666 VanDerWaalsContact O-OG1 3.08Å; L663-L667 HydrophobicContact CG-CD1 4.45Å; L663-L667 WeakPolarHBondContact O-CB 3.29Å; L663-L667 VanDerWaalsContact O-CG 3.25Å; L663-L667 WeakPolarHBondContact O-CG 3.13Å; L663-L667 PolarHBondContact O-N 2.76Å; L663-L667 VanDerWaalsContact O-N 3.12Å; L663-L735 HydrophobicContact CD1-CD1 3.51Å; L663-L735 HydrophobicContact CG-CD1 4.41Å; L663-L738 HydrophobicContact CD1-CB 3.88Å; L663-K739 HydrophobicContact CD1-CG 3.9Å; L663-K742 HydrophobicContact CD2-CD 4.03Å |
| 664 | A | 79.9 | Confident | 76.3 | Confident | 59 Ų | 59 | 66.8 Ų | 66.8 | 49% | 0.488 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S660 E661 Q662 L667 Q668 | S660-A664 PolarHBondContact O-N 3.37Å; E661-A664 PolarHBondContact O-N 2.94Å; E661-A664 VanDerWaalsContact O-N 3.13Å; Q662-A664 VanDerWaalsContact C-N 3.34Å; Q662-A664 PolarHBondContact O-N 3.41Å; A664-L667 PolarHBondContact O-N 3.15Å; A664-Q668 PolarHBondContact O-N 2.88Å; A664-Q668 VanDerWaalsContact O-N 3.1Å |
| 665 | Q | 82.4 | Confident | 77 | Confident | 112 Ų | 112 | 64.5 Ų | 64.5 | 52% | 0.523 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 176.6 | -72 | 170.5 | 2.6 | 0 | 0 | 111.6 | E661 Q662 L667 Q668 E669 | E661-Q665 WeakPolarHBondContact O-CG 3.37Å; E661-Q665 PolarHBondContact O-N 3.46Å; Q662-Q665 PolarHBondContact O-N 3.07Å; Q665-L667 VanDerWaalsContact C-N 3.3Å; Q665-L667 PolarHBondContact O-N 3.23Å; Q665-Q668 WeakPolarHBondContact O-CB 3.31Å; Q665-Q668 PolarHBondContact O-N 2.8Å; Q665-E669 WeakPolarHBondContact O-CG 3.21Å; Q665-E669 PolarHBondContact O-N 3.19Å |
| 666 | T | 76.3 | Confident | 77.9 | Confident | 17 Ų | 17 | 66.9 Ų | 66.9 | 10% | 0.104 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 113 | Q662 L663 L670 L738 | Q662-T666 WeakPolarHBondContact O-CB 3.38Å; Q662-T666 WeakPolarHBondContact O-CG2 3.41Å; Q662-T666 PolarHBondContact O-N 2.83Å; Q662-T666 PolarHBondContact O-OG1 3.16Å; L663-T666 WeakPolarHBondContact CA-OG1 3.48Å; L663-T666 PolarHBondContact O-OG1 2.96Å; L663-T666 VanDerWaalsContact O-OG1 3.08Å; T666-L670 VanDerWaalsContact O-CB 3.3Å; T666-L670 WeakPolarHBondContact O-CB 3.4Å; T666-L670 PolarHBondContact O-N 3Å; T666-L738 HydrophobicContact CG2-CD1 3.91Å |
| 667 | L | 75 | Confident | 78.8 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 171.9 | -80.1 | 172 | 0 | 0 | 0 | 112.6 | L663 A664 Q665 Q671 L735 | L663-L667 HydrophobicContact CG-CD1 4.45Å; L663-L667 WeakPolarHBondContact O-CB 3.29Å; L663-L667 VanDerWaalsContact O-CG 3.25Å; L663-L667 WeakPolarHBondContact O-CG 3.13Å; L663-L667 PolarHBondContact O-N 2.76Å; L663-L667 VanDerWaalsContact O-N 3.12Å; A664-L667 PolarHBondContact O-N 3.15Å; Q665-L667 VanDerWaalsContact C-N 3.3Å; Q665-L667 PolarHBondContact O-N 3.23Å; L667-Q671 WeakPolarHBondContact O-CG 3.38Å; L667-Q671 PolarHBondContact O-N 3.47Å; L667-L735 HydrophobicContact CD1-CD1 4.4Å; L667-L735 HydrophobicContact CD2-CD1 3.46Å; L667-L735 VanDerWaalsContact CD2-CD1 3.46Å; L667-L735 HydrophobicContact CD2-CD2 3.59Å; L667-L735 HydrophobicContact CD2-CG 4.18Å; L667-L735 HydrophobicContact CG-CD1 3.55Å |
| 668 | Q | 85.8 | Confident | 79.2 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69 | -47.3 | 176.6 | -174.1 | -178.7 | -21.8 | 0 | 0 | 111 | A664 Q665 L670 Q671 E672 | A664-Q668 PolarHBondContact O-N 2.88Å; A664-Q668 VanDerWaalsContact O-N 3.1Å; Q665-Q668 WeakPolarHBondContact O-CB 3.31Å; Q665-Q668 PolarHBondContact O-N 2.8Å; Q668-L670 VanDerWaalsContact C-N 3.28Å; Q668-L670 PolarHBondContact O-N 3.37Å; Q668-Q671 WeakPolarHBondContact O-CB 3.3Å; Q668-Q671 PolarHBondContact O-N 2.69Å; Q668-E672 PolarHBondContact NE2-OE1 3.19Å; Q668-E672 VanDerWaalsContact NE2-OE1 3.07Å; Q668-E672 PolarHBondContact O-N 3.42Å |
| 669 | E | 79.9 | Confident | 79.7 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.5 | -42.3 | 174.8 | -70.5 | 175 | -171.9 | 0 | 0 | 111.5 | Q665 Q671 E672 E673 K731 | Q665-E669 WeakPolarHBondContact O-CG 3.21Å; Q665-E669 PolarHBondContact O-N 3.19Å; E669-Q671 VanDerWaalsContact C-N 3.29Å; E669-Q671 PolarHBondContact O-N 3.19Å; E669-E672 PolarHBondContact O-N 3.11Å; E669-E673 PolarHBondContact O-N 3.49Å; E669-K731 WeakPolarHBondContact OE2-CE 3.33Å; E669-K731 IonicContact OE2-NZ 2.84Å; E669-K731 PolarHBondContact OE2-NZ 3.25Å |
| 670 | L | 81.6 | Confident | 80.2 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.6 | -33.2 | 176.9 | -178.7 | 64.5 | 0 | 0 | 0 | 112.9 | T666 Q668 K674 L728 K731 E732 L735 | T666-L670 VanDerWaalsContact O-CB 3.3Å; T666-L670 WeakPolarHBondContact O-CB 3.4Å; T666-L670 PolarHBondContact O-N 3Å; Q668-L670 VanDerWaalsContact C-N 3.28Å; Q668-L670 PolarHBondContact O-N 3.37Å; L670-K674 HydrophobicContact CG-CD 4.37Å; L670-K674 WeakPolarHBondContact O-CB 3.47Å; L670-K674 VanDerWaalsContact O-CG 3.24Å; L670-K674 WeakPolarHBondContact O-CG 3.31Å; L670-K674 PolarHBondContact O-N 3.48Å; L670-K674 VanDerWaalsContact O-N 3.1Å; L670-L728 HydrophobicContact CD1-CG 3.9Å; L670-K731 HydrophobicContact CD1-CB 3.99Å; L670-E732 HydrophobicContact CD1-CG 3.67Å; L670-E732 HydrophobicContact CD2-CG 3.93Å; L670-E732 HydrophobicContact CG-CG 4.47Å; L670-L735 HydrophobicContact CD2-CD2 4.01Å |
| 671 | Q | 80.4 | Confident | 80.6 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.542 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72 | -41.1 | 175.2 | -70.5 | -67.9 | -29.7 | 0 | 0 | 111.1 | L667 Q668 E669 K674 T675 | L667-Q671 WeakPolarHBondContact O-CG 3.38Å; L667-Q671 PolarHBondContact O-N 3.47Å; Q668-Q671 WeakPolarHBondContact O-CB 3.3Å; Q668-Q671 PolarHBondContact O-N 2.69Å; E669-Q671 VanDerWaalsContact C-N 3.29Å; E669-Q671 PolarHBondContact O-N 3.19Å; Q671-K674 WeakPolarHBondContact O-CB 3.38Å; Q671-K674 PolarHBondContact O-N 2.96Å; Q671-T675 WeakPolarHBondContact O-CG2 3.41Å; Q671-T675 PolarHBondContact O-N 3.34Å |
| 672 | E | 84.9 | Confident | 80.8 | Confident | 100 Ų | 100 | 73 Ų | 73 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 176.5 | -68.3 | 173.3 | -168 | 0 | 0 | 110.8 | Q668 E669 K674 T675 L676 | Q668-E672 PolarHBondContact NE2-OE1 3.19Å; Q668-E672 VanDerWaalsContact NE2-OE1 3.07Å; Q668-E672 PolarHBondContact O-N 3.42Å; E669-E672 PolarHBondContact O-N 3.11Å; E672-K674 VanDerWaalsContact C-N 3.35Å; E672-K674 PolarHBondContact O-N 3.41Å; E672-T675 PolarHBondContact O-N 3.36Å; E672-T675 VanDerWaalsContact O-N 3.12Å; E672-T675 PolarHBondContact O-OG1 2.9Å; E672-L676 WeakPolarHBondContact O-CG 3.46Å; E672-L676 PolarHBondContact O-N 3.47Å |
| 673 | E | 77.1 | Confident | 81 | Confident | 58 Ų | 58 | 73.2 Ų | 73.2 | 27% | 0.271 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -38 | 174.5 | -76.3 | -68.4 | 167.4 | 0 | 0 | 113 | E669 T675 L676 R677 | E669-E673 PolarHBondContact O-N 3.49Å; E673-T675 VanDerWaalsContact C-N 3.33Å; E673-T675 PolarHBondContact O-N 3Å; E673-L676 PolarHBondContact O-N 3.38Å; E673-R677 WeakPolarHBondContact O-CB 3.47Å; E673-R677 PolarHBondContact O-N 2.96Å |
| 674 | K | 77.6 | Confident | 81 | Confident | 77 Ų | 77 | 73 Ų | 73 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 173.4 | -82.3 | 173.4 | -176.6 | -174.8 | 0 | 112.5 | L670 Q671 E672 A678 L728 E732 | L670-K674 HydrophobicContact CG-CD 4.37Å; L670-K674 WeakPolarHBondContact O-CB 3.47Å; L670-K674 VanDerWaalsContact O-CG 3.24Å; L670-K674 WeakPolarHBondContact O-CG 3.31Å; L670-K674 PolarHBondContact O-N 3.48Å; L670-K674 VanDerWaalsContact O-N 3.1Å; Q671-K674 WeakPolarHBondContact O-CB 3.38Å; Q671-K674 PolarHBondContact O-N 2.96Å; E672-K674 VanDerWaalsContact C-N 3.35Å; E672-K674 PolarHBondContact O-N 3.41Å; K674-A678 PolarHBondContact O-N 2.94Å; K674-A678 VanDerWaalsContact O-N 3.12Å; K674-L728 HydrophobicContact CB-CD1 4.33Å; K674-L728 HydrophobicContact CD-CD1 4.28Å; K674-L728 HydrophobicContact CG-CD1 3.32Å; K674-L728 HydrophobicContact CG-CG 4.36Å; K674-E732 WeakPolarHBondContact CE-OE1 3.47Å; K674-E732 IonicContact NZ-OE1 3.74Å; K674-E732 PolarHBondContact NZ-OE1 3.45Å |
| 675 | T | 83.8 | Confident | 81.1 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.8 | -39.7 | 177.9 | 61 | 0 | 0 | 0 | 0 | 112.3 | Q671 E672 E673 A678 Q679 | Q671-T675 WeakPolarHBondContact O-CG2 3.41Å; Q671-T675 PolarHBondContact O-N 3.34Å; E672-T675 PolarHBondContact O-N 3.36Å; E672-T675 VanDerWaalsContact O-N 3.12Å; E672-T675 PolarHBondContact O-OG1 2.9Å; E673-T675 VanDerWaalsContact C-N 3.33Å; E673-T675 PolarHBondContact O-N 3Å; T675-A678 PolarHBondContact O-N 3.2Å; T675-Q679 WeakPolarHBondContact O-CG 3.39Å; T675-Q679 PolarHBondContact O-N 3.34Å |
| 676 | L | 82.2 | Confident | 81.3 | Confident | 90 Ų | 90 | 72.8 Ų | 72.8 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.4 | -71.4 | 173.2 | 0 | 0 | 0 | 111.9 | E672 E673 Q679 A680 | E672-L676 WeakPolarHBondContact O-CG 3.46Å; E672-L676 PolarHBondContact O-N 3.47Å; E673-L676 PolarHBondContact O-N 3.38Å; L676-Q679 PolarHBondContact O-N 2.85Å; L676-A680 PolarHBondContact O-N 3.26Å |
| 677 | R | 83.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 73.1 Ų | 73.1 | 21% | 0.208 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 173.3 | 179.5 | -174.6 | 168.1 | 136.9 | 18.1 | 111.9 | E673 Q679 A680 E681 A724 | E673-R677 WeakPolarHBondContact O-CB 3.47Å; E673-R677 PolarHBondContact O-N 2.96Å; R677-Q679 VanDerWaalsContact C-N 3.28Å; R677-Q679 PolarHBondContact O-N 3.36Å; R677-A680 PolarHBondContact O-N 2.95Å; R677-A680 VanDerWaalsContact O-N 3.17Å; R677-E681 HydrophobicContact CG-CG 4.46Å; R677-E681 IonicContact CZ-OE1 2.76Å; R677-E681 VanDerWaalsContact CZ-OE1 3.23Å; R677-E681 IonicContact NE-OE1 3.51Å; R677-E681 PolarHBondContact NE-OE1 3.07Å; R677-E681 IonicContact NH2-OE1 2.63Å; R677-E681 PolarHBondContact NH2-OE1 3.47Å; R677-E681 WeakPolarHBondContact O-CG 3.12Å; R677-E681 PolarHBondContact O-N 3.08Å; R677-A724 HydrophobicContact CB-CB 4.36Å |
| 678 | A | 81.1 | Confident | 81.6 | Confident | 52 Ų | 52 | 74.5 Ų | 74.5 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K674 T675 E682 | K674-A678 PolarHBondContact O-N 2.94Å; K674-A678 VanDerWaalsContact O-N 3.12Å; T675-A678 PolarHBondContact O-N 3.2Å; A678-E682 WeakPolarHBondContact O-CB 3.31Å; A678-E682 PolarHBondContact O-N 3.43Å |
| 679 | Q | 84.8 | Confident | 81.3 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 175.3 | -71 | 172.5 | 6.1 | 0 | 0 | 112.4 | T675 L676 R677 E682 H683 | T675-Q679 WeakPolarHBondContact O-CG 3.39Å; T675-Q679 PolarHBondContact O-N 3.34Å; L676-Q679 PolarHBondContact O-N 2.85Å; R677-Q679 VanDerWaalsContact C-N 3.28Å; R677-Q679 PolarHBondContact O-N 3.36Å; Q679-E682 PolarHBondContact O-N 3.29Å; Q679-H683 WeakPolarHBondContact O-CB 3.29Å; Q679-H683 PolarHBondContact O-N 3.27Å |
| 680 | A | 79.3 | Confident | 81.2 | Confident | 18 Ų | 18 | 72 Ų | 72 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L676 R677 H683 A684 A721 | L676-A680 PolarHBondContact O-N 3.26Å; R677-A680 PolarHBondContact O-N 2.95Å; R677-A680 VanDerWaalsContact O-N 3.17Å; A680-H683 PolarHBondContact O-N 2.94Å; A680-A684 WeakPolarHBondContact O-CB 3.42Å; A680-A684 PolarHBondContact O-N 2.91Å; A680-A721 HydrophobicContact CB-CB 4.15Å |
| 681 | E | 79.9 | Confident | 80.7 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 41% | 0.411 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.3 | -72.6 | 176.9 | 176.4 | 0 | 0 | 111.7 | R677 A684 A685 | R677-E681 HydrophobicContact CG-CG 4.46Å; R677-E681 IonicContact CZ-OE1 2.76Å; R677-E681 VanDerWaalsContact CZ-OE1 3.23Å; R677-E681 IonicContact NE-OE1 3.51Å; R677-E681 PolarHBondContact NE-OE1 3.07Å; R677-E681 IonicContact NH2-OE1 2.63Å; R677-E681 PolarHBondContact NH2-OE1 3.47Å; R677-E681 WeakPolarHBondContact O-CG 3.12Å; R677-E681 PolarHBondContact O-N 3.08Å; E681-A684 PolarHBondContact O-N 3.29Å; E681-A685 WeakPolarHBondContact O-CB 3.3Å; E681-A685 PolarHBondContact O-N 3.05Å |
| 682 | E | 85.3 | Confident | 80.2 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -41 | 175.3 | -169.3 | -171 | 157 | 0 | 0 | 111.8 | A678 Q679 A685 K686 | A678-E682 WeakPolarHBondContact O-CB 3.31Å; A678-E682 PolarHBondContact O-N 3.43Å; Q679-E682 PolarHBondContact O-N 3.29Å; E682-A685 PolarHBondContact O-N 2.98Å; E682-K686 WeakPolarHBondContact O-CG 3.33Å; E682-K686 PolarHBondContact O-N 3.31Å; E682-K686 WeakPolarHBondContact OE1-CE 3.36Å; E682-K686 IonicContact OE1-NZ 2.65Å; E682-K686 PolarHBondContact OE1-NZ 3.47Å |
| 683 | H | 81.6 | Confident | 79.5 | Confident | 105 Ų | 105 | 72.4 Ų | 72.4 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 177.2 | -169.4 | -89.7 | 0 | 0 | 0 | 112 | Q679 A680 K686 L687 | Q679-H683 WeakPolarHBondContact O-CB 3.29Å; Q679-H683 PolarHBondContact O-N 3.27Å; A680-H683 PolarHBondContact O-N 2.94Å; H683-K686 PolarHBondContact O-N 3.02Å; H683-L687 PolarHBondContact O-N 3.3Å |
| 684 | A | 78.2 | Confident | 78.9 | Confident | 13 Ų | 13 | 74.1 Ų | 74.1 | 11% | 0.107 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | A680 E681 K686 L687 Q688 L714 | A680-A684 WeakPolarHBondContact O-CB 3.42Å; A680-A684 PolarHBondContact O-N 2.91Å; E681-A684 PolarHBondContact O-N 3.29Å; A684-K686 VanDerWaalsContact C-N 3.35Å; A684-K686 PolarHBondContact O-N 3.31Å; A684-L687 PolarHBondContact O-N 3.49Å; A684-Q688 WeakPolarHBondContact O-CB 3.42Å; A684-Q688 PolarHBondContact O-N 2.86Å; A684-L714 HydrophobicContact CB-CD1 4.18Å; A684-L714 WeakPolarHBondContact O-CD1 3.28Å |
| 685 | A | 83.4 | Confident | 77.9 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 45% | 0.446 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E681 E682 Q688 A689 | E681-A685 WeakPolarHBondContact O-CB 3.3Å; E681-A685 PolarHBondContact O-N 3.05Å; E682-A685 PolarHBondContact O-N 2.98Å; A685-Q688 PolarHBondContact O-N 3.4Å; A685-A689 WeakPolarHBondContact O-CB 3.44Å; A685-A689 PolarHBondContact O-N 3.47Å |
| 686 | K | 85.5 | Confident | 76.5 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 174.7 | -75.5 | 173.3 | -175.1 | 165.8 | 0 | 112 | E682 H683 A684 Q688 A689 E690 | E682-K686 WeakPolarHBondContact O-CG 3.33Å; E682-K686 PolarHBondContact O-N 3.31Å; E682-K686 WeakPolarHBondContact OE1-CE 3.36Å; E682-K686 IonicContact OE1-NZ 2.65Å; E682-K686 PolarHBondContact OE1-NZ 3.47Å; H683-K686 PolarHBondContact O-N 3.02Å; A684-K686 VanDerWaalsContact C-N 3.35Å; A684-K686 PolarHBondContact O-N 3.31Å; K686-Q688 VanDerWaalsContact C-N 3.3Å; K686-Q688 PolarHBondContact O-N 3.44Å; K686-A689 PolarHBondContact O-N 3.43Å; K686-E690 WeakPolarHBondContact O-CG 3.37Å; K686-E690 PolarHBondContact O-N 3.26Å |
| 687 | L | 80.3 | Confident | 75.4 | Confident | 23 Ų | 23 | 78.9 Ų | 78.9 | 12% | 0.12 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 176.7 | -74.5 | 175 | 0 | 0 | 0 | 111.9 | H683 A684 E690 L691 L710 L714 | H683-L687 PolarHBondContact O-N 3.3Å; A684-L687 PolarHBondContact O-N 3.49Å; L687-E690 PolarHBondContact O-N 3.08Å; L687-L691 WeakPolarHBondContact O-CB 3.26Å; L687-L691 PolarHBondContact O-N 3.34Å; L687-L710 HydrophobicContact CD2-CD2 4.24Å; L687-L714 HydrophobicContact CB-CD1 4.11Å |
| 688 | Q | 77.4 | Confident | 74.1 | Confident | 96 Ų | 96 | 81.5 Ų | 81.5 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 177.1 | -166.5 | 175.4 | 17.6 | 0 | 0 | 112 | A684 A685 K686 L691 Q692 L714 | A684-Q688 WeakPolarHBondContact O-CB 3.42Å; A684-Q688 PolarHBondContact O-N 2.86Å; A685-Q688 PolarHBondContact O-N 3.4Å; K686-Q688 VanDerWaalsContact C-N 3.3Å; K686-Q688 PolarHBondContact O-N 3.44Å; Q688-L691 PolarHBondContact O-N 2.98Å; Q688-Q692 WeakPolarHBondContact O-CG 3.27Å; Q688-Q692 PolarHBondContact O-N 2.79Å; Q688-Q692 VanDerWaalsContact O-N 3.1Å; Q688-L714 HydrophobicContact CB-CD1 4.48Å |
| 689 | A | 80.6 | Confident | 73.2 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 44% | 0.438 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A685 K686 L691 Q692 S693 | A685-A689 WeakPolarHBondContact O-CB 3.44Å; A685-A689 PolarHBondContact O-N 3.47Å; K686-A689 PolarHBondContact O-N 3.43Å; A689-L691 VanDerWaalsContact C-N 3.32Å; A689-L691 PolarHBondContact O-N 2.79Å; A689-Q692 PolarHBondContact O-N 2.72Å; A689-S693 PolarHBondContact O-N 3.02Å |
| 690 | E | 76.9 | Confident | 72.1 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 173.9 | -75.8 | -174.3 | -172.8 | 0 | 0 | 111.8 | K686 L687 Q692 S693 K694 | K686-E690 WeakPolarHBondContact O-CG 3.37Å; K686-E690 PolarHBondContact O-N 3.26Å; L687-E690 PolarHBondContact O-N 3.08Å; E690-Q692 VanDerWaalsContact C-N 3.34Å; E690-Q692 PolarHBondContact O-N 3.35Å; E690-S693 WeakPolarHBondContact CA-OG 3.4Å; E690-S693 PolarHBondContact O-N 2.84Å; E690-S693 PolarHBondContact O-OG 3.14Å; E690-K694 PolarHBondContact O-N 2.92Å; E690-K694 VanDerWaalsContact O-N 3.12Å |
| 691 | L | 72 | Confident | 71.6 | Confident | 32 Ų | 32 | 92.5 Ų | 92.5 | 17% | 0.168 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 175.4 | -171.4 | 129.8 | 0 | 0 | 0 | 112.4 | L687 Q688 A689 L710 Q711 | L687-L691 WeakPolarHBondContact O-CB 3.26Å; L687-L691 PolarHBondContact O-N 3.34Å; Q688-L691 PolarHBondContact O-N 2.98Å; A689-L691 VanDerWaalsContact C-N 3.32Å; A689-L691 PolarHBondContact O-N 2.79Å; L691-L710 HydrophobicContact CD1-CB 4.06Å; L691-Q711 HydrophobicContact CD1-CG 3.93Å |
| 692 | Q | 69.1 | Low | 71 | Confident | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.1 | -39.5 | 172.7 | -71.6 | 176.6 | 1.9 | 0 | 0 | 111.9 | Q688 A689 E690 K694 Q695 | Q688-Q692 WeakPolarHBondContact O-CG 3.27Å; Q688-Q692 PolarHBondContact O-N 2.79Å; Q688-Q692 VanDerWaalsContact O-N 3.1Å; A689-Q692 PolarHBondContact O-N 2.72Å; E690-Q692 VanDerWaalsContact C-N 3.34Å; E690-Q692 PolarHBondContact O-N 3.35Å; Q692-K694 PolarHBondContact O-N 3.38Å; Q692-Q695 PolarHBondContact O-N 2.91Å |
| 693 | S | 70.4 | Confident | 70.1 | Confident | 80 Ų | 80 | 91.1 Ų | 91.1 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.7 | -28.5 | -176.9 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | A689 E690 Q695 | A689-S693 PolarHBondContact O-N 3.02Å; E690-S693 WeakPolarHBondContact CA-OG 3.4Å; E690-S693 PolarHBondContact O-N 2.84Å; E690-S693 PolarHBondContact O-OG 3.14Å; S693-Q695 VanDerWaalsContact C-N 3.35Å |
| 694 | K | 63.7 | Low | 69.7 | Low | 94 Ų | 94 | 90.1 Ų | 90.1 | 41% | 0.409 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -85.2 | -2.9 | -179.4 | -71.6 | -172.5 | 179.2 | 173.2 | 0 | 114.2 | E690 Q692 D696 H703 | E690-K694 PolarHBondContact O-N 2.92Å; E690-K694 VanDerWaalsContact O-N 3.12Å; Q692-K694 PolarHBondContact O-N 3.38Å; K694-D696 PolarHBondContact O-N 2.86Å; K694-H703 PolarHBondContact O-CD2 3.28Å |
| 695 | Q | 56.9 | Low | 69.7 | Low | 113 Ų | 113 | 96.2 Ų | 96.2 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -65.4 | -15.1 | 176.5 | -76.8 | 176.1 | -7.9 | 0 | 0 | 113.6 | Q692 S693 | Q692-Q695 PolarHBondContact O-N 2.91Å; S693-Q695 VanDerWaalsContact C-N 3.35Å |
| 696 | D | 54.6 | Low | 69.4 | Low | 151 Ų | 151 | 96.4 Ų | 96.4 | 81% | 0.807 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -106.3 | -3.6 | -168.7 | -70.5 | -29.5 | 0 | 0 | 0 | 116.6 | K694 | K694-D696 PolarHBondContact O-N 2.86Š|
| 697 | A | 59.1 | Low | 69 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -164.8 | 98.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 698 | I | 55.9 | Low | 69 | Low | 109 Ų | 109 | 98.5 Ų | 98.5 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -177.5 | 158 | 152.9 | -86.6 | 140.7 | 0 | 0 | 0 | 108.7 | E702 H703 | I698-E702 HydrophobicContact CG2-CB 3.78Å; I698-H703 HydrophobicContact CG2-CB 4.49Å |
| 699 | S | 62.2 | Low | 69.2 | Low | 76 Ų | 76 | 100.6 Ų | 100.6 | 53% | 0.531 | 51% | 0.514 | S | S | . | . | trans | -52.4 | 139.6 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 113.2 | E701 E702 H703 | S699-E701 VanDerWaalsContact C-N 3.26Å; S699-E701 PolarHBondContact O-N 2.98Å; S699-E701 VanDerWaalsContact O-N 3.07Å; S699-E702 PolarHBondContact O-N 2.72Å; S699-H703 WeakPolarHBondContact O-CB 3.32Å; S699-H703 PolarHBondContact O-N 2.89Å | ||
| 700 | K | 62.2 | Low | 69.2 | Low | 185 Ų | 185 | 99.6 Ų | 99.6 | 80% | 0.804 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -53.4 | -33.9 | -170.6 | -71.2 | -175.7 | 177.1 | -178 | 0 | 114.9 | E704 | K700-E704 PolarHBondContact O-N 3.42Å |
| 701 | E | 68.4 | Low | 69.4 | Low | 161 Ų | 161 | 99.3 Ų | 99.3 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -80.6 | -34.3 | -176.8 | -71.4 | 175.2 | 175.4 | 0 | 0 | 113.5 | S699 | S699-E701 VanDerWaalsContact C-N 3.26Å; S699-E701 PolarHBondContact O-N 2.98Å; S699-E701 VanDerWaalsContact O-N 3.07Å |
| 702 | E | 67.5 | Low | 70 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -77.7 | -33.8 | 174.9 | -67.7 | 176.2 | 166 | 0 | 0 | 110.6 | I698 S699 V706 | I698-E702 HydrophobicContact CG2-CB 3.78Å; S699-E702 PolarHBondContact O-N 2.72Å; E702-V706 WeakPolarHBondContact O-CB 3.21Å; E702-V706 VanDerWaalsContact O-CG2 3.31Å; E702-V706 WeakPolarHBondContact O-CG2 3.42Å; E702-V706 PolarHBondContact O-N 3.46Å; E702-V706 VanDerWaalsContact O-N 3.08Å |
| 703 | H | 66.8 | Low | 70.6 | Confident | 39 Ų | 39 | 100.7 Ų | 100.7 | 18% | 0.181 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.4 | 179 | -85.1 | 0 | 0 | 0 | 112.3 | K694 I698 S699 K707 | K694-H703 PolarHBondContact O-CD2 3.28Å; I698-H703 HydrophobicContact CG2-CB 4.49Å; S699-H703 WeakPolarHBondContact O-CB 3.32Å; S699-H703 PolarHBondContact O-N 2.89Å; H703-K707 WeakPolarHBondContact O-CB 3.34Å; H703-K707 PolarHBondContact O-N 3.29Å |
| 704 | E | 72.1 | Confident | 71.2 | Confident | 83 Ų | 83 | 98 Ų | 98 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 179.5 | -74.1 | -60.2 | 155.1 | 0 | 0 | 112.6 | K700 K707 E708 | K700-E704 PolarHBondContact O-N 3.42Å; E704-K707 VanDerWaalsContact CD-NZ 3.35Å; E704-K707 PolarHBondContact O-N 2.88Å; E704-K707 IonicContact OE1-NZ 3.02Å; E704-K707 PolarHBondContact OE1-NZ 3.44Å; E704-K707 IonicContact OE2-NZ 2.82Å; E704-K707 PolarHBondContact OE2-NZ 2.94Å; E704-E708 WeakPolarHBondContact O-CB 3.4Å; E704-E708 WeakPolarHBondContact O-CG 3.49Å; E704-E708 PolarHBondContact O-N 2.94Å |
| 705 | K | 79.3 | Confident | 72.1 | Confident | 141 Ų | 141 | 99.8 Ų | 99.8 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 175.6 | -71 | -177.8 | -177.3 | 177 | 0 | 112.8 | K707 E708 E709 | K705-K707 VanDerWaalsContact C-N 3.28Å; K705-K707 PolarHBondContact O-N 3.44Å; K705-E708 PolarHBondContact O-N 3.31Å; K705-E709 WeakPolarHBondContact O-CG 3.47Å; K705-E709 PolarHBondContact O-N 3.01Å |
| 706 | V | 76.9 | Confident | 73.4 | Confident | 58 Ų | 58 | 96.9 Ų | 96.9 | 35% | 0.352 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | E702 L710 | E702-V706 WeakPolarHBondContact O-CB 3.21Å; E702-V706 VanDerWaalsContact O-CG2 3.31Å; E702-V706 WeakPolarHBondContact O-CG2 3.42Å; E702-V706 PolarHBondContact O-N 3.46Å; E702-V706 VanDerWaalsContact O-N 3.08Å; V706-L710 HydrophobicContact CG1-CD1 3.74Å; V706-L710 HydrophobicContact CG1-CG 4.24Å; V706-L710 VanDerWaalsContact O-CB 3.26Å; V706-L710 WeakPolarHBondContact O-CB 3.41Å; V706-L710 WeakPolarHBondContact O-CG 3.28Å; V706-L710 PolarHBondContact O-N 2.92Å |
| 707 | K | 75.6 | Confident | 74.6 | Confident | 57 Ų | 57 | 90.5 Ų | 90.5 | 25% | 0.248 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 175 | 177 | 177.5 | 153.4 | -137.3 | 0 | 111.9 | H703 E704 K705 L710 Q711 | H703-K707 WeakPolarHBondContact O-CB 3.34Å; H703-K707 PolarHBondContact O-N 3.29Å; E704-K707 VanDerWaalsContact CD-NZ 3.35Å; E704-K707 PolarHBondContact O-N 2.88Å; E704-K707 IonicContact OE1-NZ 3.02Å; E704-K707 PolarHBondContact OE1-NZ 3.44Å; E704-K707 IonicContact OE2-NZ 2.82Å; E704-K707 PolarHBondContact OE2-NZ 2.94Å; K705-K707 VanDerWaalsContact C-N 3.28Å; K705-K707 PolarHBondContact O-N 3.44Å; K707-L710 PolarHBondContact O-N 3.44Å; K707-Q711 HydrophobicContact CG-CG 4.45Å; K707-Q711 WeakPolarHBondContact O-CB 3.38Å; K707-Q711 WeakPolarHBondContact O-CG 3.49Å; K707-Q711 PolarHBondContact O-N 2.81Å |
| 708 | E | 81.4 | Confident | 75.7 | Confident | 123 Ų | 123 | 91.4 Ų | 91.4 | 58% | 0.575 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 175.1 | -74.8 | 177.1 | 176.4 | 0 | 0 | 111.6 | E704 K705 Q711 H712 | E704-E708 WeakPolarHBondContact O-CB 3.4Å; E704-E708 WeakPolarHBondContact O-CG 3.49Å; E704-E708 PolarHBondContact O-N 2.94Å; K705-E708 PolarHBondContact O-N 3.31Å; E708-Q711 PolarHBondContact O-N 3.01Å; E708-H712 WeakPolarHBondContact O-CB 3.46Å; E708-H712 PolarHBondContact O-N 2.92Å |
| 709 | E | 81.3 | Confident | 77 | Confident | 140 Ų | 140 | 89.7 Ų | 89.7 | 65% | 0.654 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 176 | -73.7 | 176.1 | -174.3 | 0 | 0 | 112.3 | K705 H712 A713 | K705-E709 WeakPolarHBondContact O-CG 3.47Å; K705-E709 PolarHBondContact O-N 3.01Å; E709-H712 PolarHBondContact O-N 2.99Å; E709-A713 WeakPolarHBondContact O-CB 3.14Å; E709-A713 PolarHBondContact O-N 3.31Å |
| 710 | L | 80.3 | Confident | 77.9 | Confident | 32 Ų | 32 | 89.5 Ų | 89.5 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.2 | -34.3 | 176.6 | -72.7 | 173.5 | 0 | 0 | 0 | 112.5 | L687 L691 V706 K707 A713 L714 | L687-L710 HydrophobicContact CD2-CD2 4.24Å; L691-L710 HydrophobicContact CD1-CB 4.06Å; V706-L710 HydrophobicContact CG1-CD1 3.74Å; V706-L710 HydrophobicContact CG1-CG 4.24Å; V706-L710 VanDerWaalsContact O-CB 3.26Å; V706-L710 WeakPolarHBondContact O-CB 3.41Å; V706-L710 WeakPolarHBondContact O-CG 3.28Å; V706-L710 PolarHBondContact O-N 2.92Å; K707-L710 PolarHBondContact O-N 3.44Å; L710-A713 PolarHBondContact O-N 3.34Å; L710-L714 VanDerWaalsContact O-CB 3.3Å; L710-L714 WeakPolarHBondContact O-CB 3.28Å; L710-L714 PolarHBondContact O-N 2.88Å |
| 711 | Q | 80.9 | Confident | 78.8 | Confident | 89 Ų | 89 | 81.3 Ų | 81.3 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 172.9 | -80.1 | 177.4 | -17.3 | 0 | 0 | 111.3 | L691 K707 E708 L714 Q715 | L691-Q711 HydrophobicContact CD1-CG 3.93Å; K707-Q711 HydrophobicContact CG-CG 4.45Å; K707-Q711 WeakPolarHBondContact O-CB 3.38Å; K707-Q711 WeakPolarHBondContact O-CG 3.49Å; K707-Q711 PolarHBondContact O-N 2.81Å; E708-Q711 PolarHBondContact O-N 3.01Å; Q711-L714 PolarHBondContact O-N 3.38Å; Q711-Q715 WeakPolarHBondContact O-CB 3.35Å; Q711-Q715 PolarHBondContact O-N 2.89Å |
| 712 | H | 84.7 | Confident | 79.4 | Confident | 139 Ų | 139 | 76.3 Ų | 76.3 | 64% | 0.644 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 175.1 | -168.4 | -73.6 | 0 | 0 | 0 | 111.6 | E708 E709 A716 | E708-H712 WeakPolarHBondContact O-CB 3.46Å; E708-H712 PolarHBondContact O-N 2.92Å; E709-H712 PolarHBondContact O-N 2.99Å; H712-A716 WeakPolarHBondContact O-CB 3.5Å; H712-A716 PolarHBondContact O-N 3.37Å |
| 713 | A | 81.7 | Confident | 80.1 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 34% | 0.339 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E709 L710 A716 S717 | E709-A713 WeakPolarHBondContact O-CB 3.14Å; E709-A713 PolarHBondContact O-N 3.31Å; L710-A713 PolarHBondContact O-N 3.34Å; A713-A716 PolarHBondContact O-N 3.28Å; A713-S717 PolarHBondContact O-N 3.18Å |
| 714 | L | 82.8 | Confident | 80.7 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 174.9 | -177.6 | 65 | 0 | 0 | 0 | 110.8 | A684 L687 Q688 L710 Q711 A716 S717 E718 | A684-L714 HydrophobicContact CB-CD1 4.18Å; A684-L714 WeakPolarHBondContact O-CD1 3.28Å; L687-L714 HydrophobicContact CB-CD1 4.11Å; Q688-L714 HydrophobicContact CB-CD1 4.48Å; L710-L714 VanDerWaalsContact O-CB 3.3Å; L710-L714 WeakPolarHBondContact O-CB 3.28Å; L710-L714 PolarHBondContact O-N 2.88Å; Q711-L714 PolarHBondContact O-N 3.38Å; L714-A716 VanDerWaalsContact C-N 3.3Å; L714-A716 PolarHBondContact O-N 2.75Å; L714-S717 WeakPolarHBondContact O-CB 3.03Å; L714-S717 PolarHBondContact O-N 3.02Å; L714-S717 VanDerWaalsContact O-N 3.09Å; L714-E718 HydrophobicContact CD1-CG 4.45Å; L714-E718 HydrophobicContact CG-CG 4.43Å; L714-E718 WeakPolarHBondContact O-CG 3.38Å; L714-E718 PolarHBondContact O-N 2.71Å |
| 715 | Q | 84.4 | Confident | 81.1 | Confident | 133 Ų | 133 | 72.5 Ų | 72.5 | 62% | 0.621 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.3 | -37.6 | 177.4 | -168.7 | 175.6 | 7.2 | 0 | 0 | 111.9 | Q711 S719 | Q711-Q715 WeakPolarHBondContact O-CB 3.35Å; Q711-Q715 PolarHBondContact O-N 2.89Å; Q715-S719 WeakPolarHBondContact O-CB 3.07Å; Q715-S719 PolarHBondContact O-N 2.82Å; Q715-S719 PolarHBondContact O-OG 3.5Å |
| 716 | A | 84.4 | Confident | 81.3 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H712 A713 L714 S719 S720 | H712-A716 WeakPolarHBondContact O-CB 3.5Å; H712-A716 PolarHBondContact O-N 3.37Å; A713-A716 PolarHBondContact O-N 3.28Å; L714-A716 VanDerWaalsContact C-N 3.3Å; L714-A716 PolarHBondContact O-N 2.75Å; A716-S719 WeakPolarHBondContact CA-OG 3.09Å; A716-S719 PolarHBondContact O-OG 3.35Å; A716-S720 PolarHBondContact O-N 3.41Å; A716-S720 VanDerWaalsContact O-N 3.09Å |
| 717 | S | 78.9 | Confident | 81.5 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 12% | 0.119 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 175.9 | -163.6 | 0 | 0 | 0 | 0 | 112.5 | A713 L714 S720 A721 | A713-S717 PolarHBondContact O-N 3.18Å; L714-S717 WeakPolarHBondContact O-CB 3.03Å; L714-S717 PolarHBondContact O-N 3.02Å; L714-S717 VanDerWaalsContact O-N 3.09Å; S717-S720 WeakPolarHBondContact O-CB 3.49Å; S717-S720 PolarHBondContact O-N 3.19Å; S717-A721 PolarHBondContact O-N 3.02Å |
| 718 | E | 81.8 | Confident | 81.7 | Confident | 97 Ų | 97 | 68.1 Ų | 68.1 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 177.4 | -74.7 | 177.4 | 170.6 | 0 | 0 | 111.8 | L714 S720 A721 A722 | L714-E718 HydrophobicContact CD1-CG 4.45Å; L714-E718 HydrophobicContact CG-CG 4.43Å; L714-E718 WeakPolarHBondContact O-CG 3.38Å; L714-E718 PolarHBondContact O-N 2.71Å; E718-S720 VanDerWaalsContact C-N 3.33Å; E718-S720 PolarHBondContact O-N 2.91Å; E718-A721 PolarHBondContact O-N 3.03Å; E718-A722 WeakPolarHBondContact O-CB 3.45Å; E718-A722 PolarHBondContact O-N 3.37Å |
| 719 | S | 82.9 | Confident | 81.5 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 173.6 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | Q715 A716 A722 A723 | Q715-S719 WeakPolarHBondContact O-CB 3.07Å; Q715-S719 PolarHBondContact O-N 2.82Å; Q715-S719 PolarHBondContact O-OG 3.5Å; A716-S719 WeakPolarHBondContact CA-OG 3.09Å; A716-S719 PolarHBondContact O-OG 3.35Å; S719-A722 PolarHBondContact O-N 2.95Å; S719-A723 PolarHBondContact O-N 3.47Å |
| 720 | S | 81.6 | Confident | 81.5 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 171.4 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | A716 S717 E718 A723 A724 | A716-S720 PolarHBondContact O-N 3.41Å; A716-S720 VanDerWaalsContact O-N 3.09Å; S717-S720 WeakPolarHBondContact O-CB 3.49Å; S717-S720 PolarHBondContact O-N 3.19Å; E718-S720 VanDerWaalsContact C-N 3.33Å; E718-S720 PolarHBondContact O-N 2.91Å; S720-A723 PolarHBondContact O-N 2.9Å; S720-A724 PolarHBondContact O-N 3.49Å |
| 721 | A | 80.2 | Confident | 81.3 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 11% | 0.107 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A680 S717 E718 A724 Q725 | A680-A721 HydrophobicContact CB-CB 4.15Å; S717-A721 PolarHBondContact O-N 3.02Å; E718-A721 PolarHBondContact O-N 3.03Å; A721-A724 PolarHBondContact O-N 2.97Å; A721-Q725 WeakPolarHBondContact O-CB 3.47Å; A721-Q725 PolarHBondContact O-N 2.8Å |
| 722 | A | 82.3 | Confident | 81 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E718 S719 Q725 E726 | E718-A722 WeakPolarHBondContact O-CB 3.45Å; E718-A722 PolarHBondContact O-N 3.37Å; S719-A722 PolarHBondContact O-N 2.95Å; A722-Q725 WeakPolarHBondContact O-CB 3.32Å; A722-Q725 PolarHBondContact O-N 2.84Å; A722-E726 PolarHBondContact O-N 3.15Å |
| 723 | A | 82.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S719 S720 Q725 E726 A727 | S719-A723 PolarHBondContact O-N 3.47Å; S720-A723 PolarHBondContact O-N 2.9Å; A723-Q725 VanDerWaalsContact C-N 3.31Å; A723-Q725 PolarHBondContact O-N 2.75Å; A723-E726 PolarHBondContact O-N 3.03Å; A723-A727 PolarHBondContact O-N 3.14Å |
| 724 | A | 78.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 12% | 0.124 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R677 S720 A721 L728 | R677-A724 HydrophobicContact CB-CB 4.36Å; S720-A724 PolarHBondContact O-N 3.49Å; A721-A724 PolarHBondContact O-N 2.97Å; A724-L728 VanDerWaalsContact O-CB 3.28Å; A724-L728 WeakPolarHBondContact O-CB 3.36Å; A724-L728 PolarHBondContact O-N 2.69Å |
| 725 | Q | 80.7 | Confident | 80 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 174.3 | 171.7 | 158.2 | 2.8 | 0 | 0 | 112.6 | A721 A722 A723 S729 | A721-Q725 WeakPolarHBondContact O-CB 3.47Å; A721-Q725 PolarHBondContact O-N 2.8Å; A722-Q725 WeakPolarHBondContact O-CB 3.32Å; A722-Q725 PolarHBondContact O-N 2.84Å; A723-Q725 VanDerWaalsContact C-N 3.31Å; A723-Q725 PolarHBondContact O-N 2.75Å; Q725-S729 PolarHBondContact O-N 2.96Å; Q725-S729 VanDerWaalsContact O-N 3.09Å |
| 726 | E | 83.9 | Confident | 79.6 | Confident | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.8 | -49 | 175.4 | -168.7 | 169.1 | -165.7 | 0 | 0 | 110.8 | A722 A723 L728 S729 E730 | A722-E726 PolarHBondContact O-N 3.15Å; A723-E726 PolarHBondContact O-N 3.03Å; E726-L728 VanDerWaalsContact C-N 3.32Å; E726-L728 PolarHBondContact O-N 3.45Å; E726-S729 WeakPolarHBondContact O-CB 3.42Å; E726-S729 PolarHBondContact O-N 3.33Å; E726-S729 PolarHBondContact O-OG 3.37Å; E726-E730 PolarHBondContact O-N 2.87Å |
| 727 | A | 79.3 | Confident | 79.2 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A723 S729 E730 K731 | A723-A727 PolarHBondContact O-N 3.14Å; A727-S729 VanDerWaalsContact C-N 3.35Å; A727-S729 PolarHBondContact O-N 3.44Å; A727-E730 PolarHBondContact O-N 3.02Å; A727-K731 WeakPolarHBondContact O-CG 3.43Å; A727-K731 PolarHBondContact O-N 2.88Å |
| 728 | L | 80.1 | Confident | 79 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.6 | -178 | 151.3 | 0 | 0 | 0 | 112.2 | L670 K674 A724 E726 K731 E732 | L670-L728 HydrophobicContact CD1-CG 3.9Å; K674-L728 HydrophobicContact CB-CD1 4.33Å; K674-L728 HydrophobicContact CD-CD1 4.28Å; K674-L728 HydrophobicContact CG-CD1 3.32Å; K674-L728 HydrophobicContact CG-CG 4.36Å; A724-L728 VanDerWaalsContact O-CB 3.28Å; A724-L728 WeakPolarHBondContact O-CB 3.36Å; A724-L728 PolarHBondContact O-N 2.69Å; E726-L728 VanDerWaalsContact C-N 3.32Å; E726-L728 PolarHBondContact O-N 3.45Å; L728-K731 PolarHBondContact O-N 3.23Å; L728-E732 HydrophobicContact CD2-CG 4.23Å; L728-E732 WeakPolarHBondContact O-CG 3.49Å; L728-E732 PolarHBondContact O-N 2.95Å |
| 729 | S | 77.3 | Confident | 78.4 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 178.3 | 78.7 | 0 | 0 | 0 | 0 | 112.2 | Q725 E726 A727 E732 T733 | Q725-S729 PolarHBondContact O-N 2.96Å; Q725-S729 VanDerWaalsContact O-N 3.09Å; E726-S729 WeakPolarHBondContact O-CB 3.42Å; E726-S729 PolarHBondContact O-N 3.33Å; E726-S729 PolarHBondContact O-OG 3.37Å; A727-S729 VanDerWaalsContact C-N 3.35Å; A727-S729 PolarHBondContact O-N 3.44Å; S729-E732 PolarHBondContact O-N 3.07Å; S729-T733 VanDerWaalsContact O-CG2 3.29Å; S729-T733 WeakPolarHBondContact O-CG2 3.29Å; S729-T733 PolarHBondContact O-N 2.88Å; S729-T733 VanDerWaalsContact O-N 3.16Å |
| 730 | E | 82.1 | Confident | 77.6 | Confident | 110 Ų | 110 | 66.6 Ų | 66.6 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | 173.2 | -68.6 | -178.6 | 166.4 | 0 | 0 | 110.4 | E726 A727 E732 T733 E734 | E726-E730 PolarHBondContact O-N 2.87Å; A727-E730 PolarHBondContact O-N 3.02Å; E730-E732 VanDerWaalsContact C-N 3.31Å; E730-E732 PolarHBondContact O-N 3.46Å; E730-T733 WeakPolarHBondContact O-CA 2.82Å; E730-T733 WeakPolarHBondContact O-CB 3.38Å; E730-T733 PolarHBondContact O-N 2.95Å; E730-T733 PolarHBondContact O-OG1 3.45Å; E730-E734 PolarHBondContact O-N 2.91Å |
| 731 | K | 76.8 | Confident | 77.1 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -34.3 | 177.5 | -69.4 | -69.8 | 171.6 | -176.4 | 0 | 113.6 | E669 L670 A727 L728 T733 E734 L735 | E669-K731 WeakPolarHBondContact OE2-CE 3.33Å; E669-K731 IonicContact OE2-NZ 2.84Å; E669-K731 PolarHBondContact OE2-NZ 3.25Å; L670-K731 HydrophobicContact CD1-CB 3.99Å; A727-K731 WeakPolarHBondContact O-CG 3.43Å; A727-K731 PolarHBondContact O-N 2.88Å; L728-K731 PolarHBondContact O-N 3.23Å; K731-T733 VanDerWaalsContact C-N 3.32Å; K731-E734 WeakPolarHBondContact CD-OE2 3.45Å; K731-E734 IonicContact NZ-OE2 3.71Å; K731-E734 PolarHBondContact NZ-OE2 2.97Å; K731-E734 VanDerWaalsContact NZ-OE2 3.11Å; K731-E734 PolarHBondContact O-N 3.49Å; K731-L735 WeakPolarHBondContact O-CB 3.42Å; K731-L735 PolarHBondContact O-N 3.44Å |
| 732 | E | 74.1 | Confident | 76.6 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 29% | 0.29 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.5 | -28.6 | 173.5 | -74.1 | -175.6 | 164.9 | 0 | 0 | 113.2 | L670 K674 L728 S729 E730 R736 | L670-E732 HydrophobicContact CD1-CG 3.67Å; L670-E732 HydrophobicContact CD2-CG 3.93Å; L670-E732 HydrophobicContact CG-CG 4.47Å; K674-E732 WeakPolarHBondContact CE-OE1 3.47Å; K674-E732 IonicContact NZ-OE1 3.74Å; K674-E732 PolarHBondContact NZ-OE1 3.45Å; L728-E732 HydrophobicContact CD2-CG 4.23Å; L728-E732 WeakPolarHBondContact O-CG 3.49Å; L728-E732 PolarHBondContact O-N 2.95Å; S729-E732 PolarHBondContact O-N 3.07Å; E730-E732 VanDerWaalsContact C-N 3.31Å; E730-E732 PolarHBondContact O-N 3.46Å; E732-R736 PolarHBondContact O-N 3.24Å; E732-R736 PolarHBondContact O-NE 2.95Å |
| 733 | T | 74.9 | Confident | 75.5 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.6 | -44.1 | 173 | 66.2 | 0 | 0 | 0 | 0 | 111.8 | S729 E730 K731 L735 R736 E737 | S729-T733 VanDerWaalsContact O-CG2 3.29Å; S729-T733 WeakPolarHBondContact O-CG2 3.29Å; S729-T733 PolarHBondContact O-N 2.88Å; S729-T733 VanDerWaalsContact O-N 3.16Å; E730-T733 WeakPolarHBondContact O-CA 2.82Å; E730-T733 WeakPolarHBondContact O-CB 3.38Å; E730-T733 PolarHBondContact O-N 2.95Å; E730-T733 PolarHBondContact O-OG1 3.45Å; K731-T733 VanDerWaalsContact C-N 3.32Å; T733-L735 VanDerWaalsContact C-N 3.29Å; T733-L735 PolarHBondContact O-N 3.24Å; T733-R736 PolarHBondContact O-N 2.95Å; T733-R736 VanDerWaalsContact O-N 3.11Å; T733-E737 PolarHBondContact O-N 2.97Å |
| 734 | E | 79 | Confident | 74.5 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.3 | -43 | 173.7 | -68.6 | -179 | 173.7 | 0 | 0 | 111.1 | E730 K731 R736 E737 L738 | E730-E734 PolarHBondContact O-N 2.91Å; K731-E734 WeakPolarHBondContact CD-OE2 3.45Å; K731-E734 IonicContact NZ-OE2 3.71Å; K731-E734 PolarHBondContact NZ-OE2 2.97Å; K731-E734 VanDerWaalsContact NZ-OE2 3.11Å; K731-E734 PolarHBondContact O-N 3.49Å; E734-R736 PolarHBondContact O-N 2.97Å; E734-E737 PolarHBondContact O-N 3.12Å; E734-L738 WeakPolarHBondContact O-CB 3.37Å; E734-L738 WeakPolarHBondContact O-CG 3.44Å; E734-L738 PolarHBondContact O-N 3.38Å |
| 735 | L | 74.4 | Confident | 73.5 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.6 | -175.3 | 73.5 | 0 | 0 | 0 | 112.7 | L663 L667 L670 K731 T733 K739 | L663-L735 HydrophobicContact CD1-CD1 3.51Å; L663-L735 HydrophobicContact CG-CD1 4.41Å; L667-L735 HydrophobicContact CD1-CD1 4.4Å; L667-L735 HydrophobicContact CD2-CD1 3.46Å; L667-L735 VanDerWaalsContact CD2-CD1 3.46Å; L667-L735 HydrophobicContact CD2-CD2 3.59Å; L667-L735 HydrophobicContact CD2-CG 4.18Å; L667-L735 HydrophobicContact CG-CD1 3.55Å; L670-L735 HydrophobicContact CD2-CD2 4.01Å; K731-L735 WeakPolarHBondContact O-CB 3.42Å; K731-L735 PolarHBondContact O-N 3.44Å; T733-L735 VanDerWaalsContact C-N 3.29Å; T733-L735 PolarHBondContact O-N 3.24Å; L735-K739 HydrophobicContact CG-CD 4.32Å; L735-K739 WeakPolarHBondContact O-CB 3.38Å; L735-K739 VanDerWaalsContact O-CG 3.24Å; L735-K739 WeakPolarHBondContact O-CG 3.19Å; L735-K739 PolarHBondContact O-N 3.05Å |
| 736 | R | 74.6 | Confident | 72.4 | Confident | 146 Ų | 146 | 72.4 Ų | 72.4 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 176.9 | -87.3 | -176.9 | -100.1 | 104.3 | 0.6 | 111.2 | E732 T733 E734 K739 S740 | E732-R736 PolarHBondContact O-N 3.24Å; E732-R736 PolarHBondContact O-NE 2.95Å; T733-R736 PolarHBondContact O-N 2.95Å; T733-R736 VanDerWaalsContact O-N 3.11Å; E734-R736 PolarHBondContact O-N 2.97Å; R736-K739 PolarHBondContact O-N 2.81Å; R736-S740 WeakPolarHBondContact O-CB 3.36Å; R736-S740 PolarHBondContact O-N 2.87Å |
| 737 | E | 77.9 | Confident | 71.1 | Confident | 122 Ų | 122 | 69.8 Ų | 69.8 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.9 | -47.6 | 177.6 | -164.2 | 177.2 | 170 | 0 | 0 | 111.6 | T733 E734 K739 S740 Q741 | T733-E737 PolarHBondContact O-N 2.97Å; E734-E737 PolarHBondContact O-N 3.12Å; E737-K739 VanDerWaalsContact C-N 3.3Å; E737-K739 PolarHBondContact O-N 2.93Å; E737-S740 WeakPolarHBondContact O-CB 3.44Å; E737-S740 PolarHBondContact O-N 3.33Å; E737-S740 VanDerWaalsContact O-N 3.12Å; E737-Q741 WeakPolarHBondContact O-CG 3.46Å; E737-Q741 PolarHBondContact O-N 2.92Å; E737-Q741 PolarHBondContact OE1-NE2 3.03Å |
| 738 | L | 74.3 | Confident | 69.9 | Low | 24 Ų | 24 | 74.9 Ų | 74.9 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 176 | -72.3 | 175 | 0 | 0 | 0 | 112.5 | L663 T666 E734 K742 | L663-L738 HydrophobicContact CD1-CB 3.88Å; T666-L738 HydrophobicContact CG2-CD1 3.91Å; E734-L738 WeakPolarHBondContact O-CB 3.37Å; E734-L738 WeakPolarHBondContact O-CG 3.44Å; E734-L738 PolarHBondContact O-N 3.38Å; L738-K742 WeakPolarHBondContact O-CB 3.32Å; L738-K742 PolarHBondContact O-N 2.88Å |
| 739 | K | 68.1 | Low | 68.7 | Low | 108 Ų | 108 | 80.8 Ų | 80.8 | 47% | 0.47 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 172.9 | -77.6 | 175.3 | -179.9 | 176.3 | 0 | 112.5 | L663 L735 R736 E737 K742 A743 | L663-K739 HydrophobicContact CD1-CG 3.9Å; L735-K739 HydrophobicContact CG-CD 4.32Å; L735-K739 WeakPolarHBondContact O-CB 3.38Å; L735-K739 VanDerWaalsContact O-CG 3.24Å; L735-K739 WeakPolarHBondContact O-CG 3.19Å; L735-K739 PolarHBondContact O-N 3.05Å; R736-K739 PolarHBondContact O-N 2.81Å; E737-K739 VanDerWaalsContact C-N 3.3Å; E737-K739 PolarHBondContact O-N 2.93Å; K739-K742 PolarHBondContact O-N 3.42Å; K739-A743 WeakPolarHBondContact O-CB 3.48Å; K739-A743 PolarHBondContact O-N 3.03Å |
| 740 | S | 67.5 | Low | 67.8 | Low | 81 Ų | 81 | 80.4 Ų | 80.4 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | R736 E737 K742 A743 A744 | R736-S740 WeakPolarHBondContact O-CB 3.36Å; R736-S740 PolarHBondContact O-N 2.87Å; E737-S740 WeakPolarHBondContact O-CB 3.44Å; E737-S740 PolarHBondContact O-N 3.33Å; E737-S740 VanDerWaalsContact O-N 3.12Å; S740-K742 VanDerWaalsContact C-N 3.32Å; S740-K742 PolarHBondContact O-N 3.49Å; S740-A743 PolarHBondContact O-N 3.39Å; S740-A744 WeakPolarHBondContact O-CB 3.43Å; S740-A744 PolarHBondContact O-N 2.95Å |
| 741 | Q | 69.8 | Low | 66.2 | Low | 77 Ų | 77 | 83.8 Ų | 83.8 | 36% | 0.36 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 174.5 | -69.1 | 177 | 14.7 | 0 | 0 | 111.5 | E737 A744 Q745 | E737-Q741 WeakPolarHBondContact O-CG 3.46Å; E737-Q741 PolarHBondContact O-N 2.92Å; E737-Q741 PolarHBondContact OE1-NE2 3.03Å; Q741-A744 PolarHBondContact O-N 3.21Å; Q741-Q745 WeakPolarHBondContact O-CB 3.5Å; Q741-Q745 VanDerWaalsContact O-CG 3.26Å; Q741-Q745 WeakPolarHBondContact O-CG 3.46Å; Q741-Q745 PolarHBondContact O-N 3.49Å |
| 742 | K | 69.6 | Low | 65.5 | Low | 60 Ų | 60 | 88.7 Ų | 88.7 | 26% | 0.261 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 173.9 | -174.4 | 174.4 | -179.9 | 176.3 | 0 | 112.6 | V659 L663 L738 K739 S740 Q745 Q746 | V659-K742 HydrophobicContact CG1-CB 4.48Å; L663-K742 HydrophobicContact CD2-CD 4.03Å; L738-K742 WeakPolarHBondContact O-CB 3.32Å; L738-K742 PolarHBondContact O-N 2.88Å; K739-K742 PolarHBondContact O-N 3.42Å; S740-K742 VanDerWaalsContact C-N 3.32Å; S740-K742 PolarHBondContact O-N 3.49Å; K742-Q745 PolarHBondContact O-N 3Å; K742-Q746 WeakPolarHBondContact O-CB 3.36Å; K742-Q746 VanDerWaalsContact O-CG 3.23Å; K742-Q746 WeakPolarHBondContact O-CG 3.32Å; K742-Q746 PolarHBondContact O-N 3.12Å |
| 743 | A | 60.3 | Low | 64.7 | Low | 44 Ų | 44 | 90.4 Ų | 90.4 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K739 S740 Q746 G747 | K739-A743 WeakPolarHBondContact O-CB 3.48Å; K739-A743 PolarHBondContact O-N 3.03Å; S740-A743 PolarHBondContact O-N 3.39Å; A743-Q746 PolarHBondContact O-N 2.99Å; A743-G747 PolarHBondContact O-N 3.48Å; A743-G747 VanDerWaalsContact O-N 3.12Å |
| 744 | A | 60.6 | Low | 63.8 | Low | 82 Ų | 82 | 92.8 Ų | 92.8 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S740 Q741 Q746 | S740-A744 WeakPolarHBondContact O-CB 3.43Å; S740-A744 PolarHBondContact O-N 2.95Å; Q741-A744 PolarHBondContact O-N 3.21Å; A744-Q746 VanDerWaalsContact C-N 3.29Å; A744-Q746 PolarHBondContact O-N 3.08Å |
| 745 | Q | 59.1 | Low | 62.9 | Low | 69 Ų | 69 | 95 Ų | 95 | 32% | 0.322 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.4 | -19.2 | 174.9 | -71 | 176.7 | 8.4 | 0 | 0 | 113.4 | L656 Q741 K742 | L656-Q745 HydrophobicContact CD2-CB 3.79Å; Q741-Q745 WeakPolarHBondContact O-CB 3.5Å; Q741-Q745 VanDerWaalsContact O-CG 3.26Å; Q741-Q745 WeakPolarHBondContact O-CG 3.46Å; Q741-Q745 PolarHBondContact O-N 3.49Å; K742-Q745 PolarHBondContact O-N 3Å |
| 746 | Q | 57.2 | Low | 62.7 | Low | 100 Ų | 100 | 97.1 Ų | 97.1 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -98.4 | -4.6 | 179.3 | -72 | -178.8 | -12.2 | 0 | 0 | 114.4 | L656 K742 A743 A744 L748 | L656-Q746 HydrophobicContact CD2-CG 4.41Å; K742-Q746 WeakPolarHBondContact O-CB 3.36Å; K742-Q746 VanDerWaalsContact O-CG 3.23Å; K742-Q746 WeakPolarHBondContact O-CG 3.32Å; K742-Q746 PolarHBondContact O-N 3.12Å; A743-Q746 PolarHBondContact O-N 2.99Å; A744-Q746 VanDerWaalsContact C-N 3.29Å; A744-Q746 PolarHBondContact O-N 3.08Å; Q746-L748 VanDerWaalsContact C-N 3.32Å; Q746-L748 PolarHBondContact O-N 3.39Å |
| 747 | G | 55.8 | Low | 62.4 | Low | 67 Ų | 67 | 95.1 Ų | 95.1 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 21.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A743 | A743-G747 PolarHBondContact O-N 3.48Å; A743-G747 VanDerWaalsContact O-N 3.12Å |
| 748 | L | 55.2 | Low | 62.2 | Low | 134 Ų | 134 | 97.8 Ų | 97.8 | 70% | 0.702 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -99.9 | 117.9 | -179.1 | -70.2 | 164.7 | 0 | 0 | 0 | 110.7 | Q746 | Q746-L748 VanDerWaalsContact C-N 3.32Å; Q746-L748 PolarHBondContact O-N 3.39Å |
| 749 | I | 55.1 | Low | 62.6 | Low | 139 Ų | 139 | 102.6 Ų | 102.6 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 143.6 | 177.2 | -58.7 | 171.5 | 0 | 0 | 0 | 109.7 | D753 | I749-D753 HydrophobicContact CG2-CB 3.62Š|
| 750 | S | 56.8 | Low | 63.2 | Low | 48 Ų | 48 | 100.3 Ų | 100.3 | 34% | 0.336 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 151.7 | 179.7 | 86.3 | 0 | 0 | 0 | 0 | 111.9 | E752 D753 H754 | S750-E752 PolarHBondContact O-N 3.09Å; S750-D753 WeakPolarHBondContact CB-OD2 3.44Å; S750-D753 PolarHBondContact O-N 2.85Å; S750-D753 PolarHBondContact OG-N 2.86Å; S750-D753 PolarHBondContact OG-OD2 3.25Å; S750-H754 PolarHBondContact O-N 3.38Å; S750-H754 VanDerWaalsContact O-N 3.13Å |
| 751 | K | 48.9 | Very low | 63.4 | Low | 181 Ų | 181 | 100.5 Ų | 100.5 | 79% | 0.787 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.2 | -32.9 | 178.8 | -70.8 | -176.4 | 178.6 | -179.9 | 0 | 112.3 | H754 E755 | K751-H754 PolarHBondContact O-N 2.96Å; K751-E755 WeakPolarHBondContact O-CG 3.36Å; K751-E755 PolarHBondContact O-N 3.36Å |
| 752 | E | 62.1 | Low | 63.6 | Low | 156 Ų | 156 | 101.1 Ų | 101.1 | 73% | 0.729 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.7 | -42.8 | 179.3 | -69.1 | 161 | -169 | 0 | 0 | 111.2 | S750 H754 E755 A756 | S750-E752 PolarHBondContact O-N 3.09Å; E752-H754 VanDerWaalsContact C-N 3.34Å; E752-H754 PolarHBondContact O-N 2.7Å; E752-E755 PolarHBondContact O-N 2.76Å; E752-A756 WeakPolarHBondContact O-CB 3.47Å; E752-A756 PolarHBondContact O-N 2.77Å |
| 753 | D | 57.2 | Low | 64.3 | Low | 98 Ų | 98 | 101 Ų | 101 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -36.4 | 176.2 | -63.4 | -42 | 0 | 0 | 0 | 111.9 | I749 S750 A756 L757 | I749-D753 HydrophobicContact CG2-CB 3.62Å; S750-D753 WeakPolarHBondContact CB-OD2 3.44Å; S750-D753 PolarHBondContact O-N 2.85Å; S750-D753 PolarHBondContact OG-N 2.86Å; S750-D753 PolarHBondContact OG-OD2 3.25Å; D753-A756 PolarHBondContact O-N 2.71Å; D753-L757 WeakPolarHBondContact O-CB 3.38Å; D753-L757 PolarHBondContact O-N 3.49Å |
| 754 | H | 55.9 | Low | 65.4 | Low | 119 Ų | 119 | 104.3 Ų | 104.3 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.6 | -41.8 | 175.2 | -174.8 | 70.3 | 0 | 0 | 0 | 112.1 | S750 K751 E752 R758 | S750-H754 PolarHBondContact O-N 3.38Å; S750-H754 VanDerWaalsContact O-N 3.13Å; K751-H754 PolarHBondContact O-N 2.96Å; E752-H754 VanDerWaalsContact C-N 3.34Å; E752-H754 PolarHBondContact O-N 2.7Å; H754-R758 WeakPolarHBondContact O-CB 3.45Å; H754-R758 PolarHBondContact O-N 2.75Å |
| 755 | E | 61.8 | Low | 66.3 | Low | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.8 | -39.6 | 176.3 | -75.8 | -179.1 | -178.3 | 0 | 0 | 112.2 | K751 E752 R758 L759 | K751-E755 WeakPolarHBondContact O-CG 3.36Å; K751-E755 PolarHBondContact O-N 3.36Å; E752-E755 PolarHBondContact O-N 2.76Å; E755-R758 PolarHBondContact O-N 2.77Å; E755-L759 WeakPolarHBondContact O-CG 3.35Å; E755-L759 PolarHBondContact O-N 3.44Å |
| 756 | A | 68.6 | Low | 67.5 | Low | 60 Ų | 60 | 105.8 Ų | 105.8 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | E752 D753 R758 L759 S760 | E752-A756 WeakPolarHBondContact O-CB 3.47Å; E752-A756 PolarHBondContact O-N 2.77Å; D753-A756 PolarHBondContact O-N 2.71Å; A756-R758 VanDerWaalsContact C-N 3.35Å; A756-R758 PolarHBondContact O-N 2.75Å; A756-L759 PolarHBondContact O-N 2.91Å; A756-S760 PolarHBondContact O-N 3.41Å |
| 757 | L | 67.9 | Low | 68.8 | Low | 104 Ų | 104 | 103 Ų | 103 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -41.7 | 176.5 | -173.7 | 69.2 | 0 | 0 | 0 | 111.4 | D753 L759 S760 L761 | D753-L757 WeakPolarHBondContact O-CB 3.38Å; D753-L757 PolarHBondContact O-N 3.49Å; L757-L759 PolarHBondContact O-N 3.42Å; L757-S760 PolarHBondContact O-N 3.35Å; L757-L761 HydrophobicContact CG-CD1 4.16Å; L757-L761 WeakPolarHBondContact O-CG 3.38Å; L757-L761 PolarHBondContact O-N 3.31Å |
| 758 | R | 74.4 | Confident | 69.7 | Low | 177 Ų | 177 | 103.6 Ų | 103.6 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -43.2 | 176.9 | -178.2 | -179.7 | 174.1 | 148.2 | 0.5 | 112.1 | H754 E755 A756 Q762 | H754-R758 WeakPolarHBondContact O-CB 3.45Å; H754-R758 PolarHBondContact O-N 2.75Å; E755-R758 PolarHBondContact O-N 2.77Å; A756-R758 VanDerWaalsContact C-N 3.35Å; A756-R758 PolarHBondContact O-N 2.75Å; R758-Q762 WeakPolarHBondContact O-CB 3.42Å; R758-Q762 PolarHBondContact O-N 3.48Å |
| 759 | L | 82.4 | Confident | 70.9 | Confident | 126 Ų | 126 | 100.4 Ų | 100.4 | 66% | 0.66 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.8 | -37.8 | 178.1 | -72.2 | 172 | 0 | 0 | 0 | 112.2 | E755 A756 L757 Q762 A763 | E755-L759 WeakPolarHBondContact O-CG 3.35Å; E755-L759 PolarHBondContact O-N 3.44Å; A756-L759 PolarHBondContact O-N 2.91Å; L757-L759 PolarHBondContact O-N 3.42Å; L759-Q762 PolarHBondContact O-N 2.99Å; L759-A763 PolarHBondContact O-N 2.92Å |
| 760 | S | 81.8 | Confident | 72.3 | Confident | 59 Ų | 59 | 96.2 Ų | 96.2 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 174 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | A756 L757 Q762 A763 E764 | A756-S760 PolarHBondContact O-N 3.41Å; L757-S760 PolarHBondContact O-N 3.35Å; S760-Q762 VanDerWaalsContact C-N 3.3Å; S760-Q762 PolarHBondContact O-N 2.93Å; S760-A763 WeakPolarHBondContact O-CB 3.42Å; S760-A763 PolarHBondContact O-N 3.33Å; S760-A763 VanDerWaalsContact O-N 3.14Å; S760-E764 PolarHBondContact O-N 3.33Å |
| 761 | L | 71.9 | Confident | 73.8 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 45% | 0.45 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 177.2 | -69.7 | 172.2 | 0 | 0 | 0 | 111.7 | L757 A763 E764 I765 | L757-L761 HydrophobicContact CG-CD1 4.16Å; L757-L761 WeakPolarHBondContact O-CG 3.38Å; L757-L761 PolarHBondContact O-N 3.31Å; L761-A763 VanDerWaalsContact C-N 3.33Å; L761-A763 PolarHBondContact O-N 3.39Å; L761-E764 PolarHBondContact O-N 3.26Å; L761-I765 VanDerWaalsContact O-CG1 3.25Å; L761-I765 WeakPolarHBondContact O-CG1 3.35Å; L761-I765 PolarHBondContact O-N 2.98Å |
| 762 | Q | 73.8 | Confident | 75.3 | Confident | 89 Ų | 89 | 100.5 Ų | 100.5 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 175.4 | -171.4 | 62.8 | 59.6 | 0 | 0 | 112.4 | R758 L759 S760 N766 | R758-Q762 WeakPolarHBondContact O-CB 3.42Å; R758-Q762 PolarHBondContact O-N 3.48Å; L759-Q762 PolarHBondContact O-N 2.99Å; S760-Q762 VanDerWaalsContact C-N 3.3Å; S760-Q762 PolarHBondContact O-N 2.93Å; Q762-N766 PolarHBondContact NE2-OD1 3.38Å; Q762-N766 PolarHBondContact O-N 3.5Å; Q762-N766 VanDerWaalsContact O-N 3.09Å; Q762-N766 PolarHBondContact O-ND2 2.99Å; Q762-N766 PolarHBondContact O-OD1 2.91Å |
| 763 | A | 83.6 | Confident | 76.3 | Confident | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L759 S760 L761 N766 A767 | L759-A763 PolarHBondContact O-N 2.92Å; S760-A763 WeakPolarHBondContact O-CB 3.42Å; S760-A763 PolarHBondContact O-N 3.33Å; S760-A763 VanDerWaalsContact O-N 3.14Å; L761-A763 VanDerWaalsContact C-N 3.33Å; L761-A763 PolarHBondContact O-N 3.39Å; A763-N766 PolarHBondContact O-N 3.38Å; A763-A767 WeakPolarHBondContact O-CB 3.44Å; A763-A767 PolarHBondContact O-N 3.41Å |
| 764 | E | 84 | Confident | 77.7 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 174.6 | -72.7 | 179.9 | -172.1 | 0 | 0 | 112 | S760 L761 N766 A767 T768 | S760-E764 PolarHBondContact O-N 3.33Å; L761-E764 PolarHBondContact O-N 3.26Å; E764-N766 VanDerWaalsContact C-N 3.3Å; E764-N766 PolarHBondContact O-N 2.81Å; E764-A767 PolarHBondContact O-N 3.46Å; E764-A767 VanDerWaalsContact O-N 3.17Å; E764-T768 WeakPolarHBondContact O-CG2 3.42Å; E764-T768 PolarHBondContact O-N 2.98Å; E764-T768 PolarHBondContact O-OG1 3.38Å; E764-T768 VanDerWaalsContact O-OG1 3.13Å |
| 765 | I | 79.4 | Confident | 79 | Confident | 88 Ų | 88 | 96.1 Ų | 96.1 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.3 | -70.4 | 165.1 | 0 | 0 | 0 | 111 | L761 T768 T769 | L761-I765 VanDerWaalsContact O-CG1 3.25Å; L761-I765 WeakPolarHBondContact O-CG1 3.35Å; L761-I765 PolarHBondContact O-N 2.98Å; I765-T768 WeakPolarHBondContact CA-OG1 3.47Å; I765-T768 PolarHBondContact O-N 2.9Å; I765-T768 PolarHBondContact O-OG1 3.38Å; I765-T769 VanDerWaalsContact O-CB 3.3Å; I765-T769 WeakPolarHBondContact O-CB 3.15Å; I765-T769 PolarHBondContact O-N 2.62Å; I765-T769 PolarHBondContact O-OG1 3.24Å |
| 766 | N | 84 | Confident | 79.7 | Confident | 93 Ų | 93 | 92 Ų | 92 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 178.4 | -67.7 | -15 | 0 | 0 | 0 | 111.6 | Q762 A763 E764 T769 A770 | Q762-N766 PolarHBondContact NE2-OD1 3.38Å; Q762-N766 PolarHBondContact O-N 3.5Å; Q762-N766 VanDerWaalsContact O-N 3.09Å; Q762-N766 PolarHBondContact O-ND2 2.99Å; Q762-N766 PolarHBondContact O-OD1 2.91Å; A763-N766 PolarHBondContact O-N 3.38Å; E764-N766 VanDerWaalsContact C-N 3.3Å; E764-N766 PolarHBondContact O-N 2.81Å; N766-T769 PolarHBondContact O-N 3.2Å; N766-A770 PolarHBondContact O-N 2.91Å |
| 767 | A | 84.5 | Confident | 80.6 | Confident | 41 Ų | 41 | 96.8 Ų | 96.8 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A763 E764 A770 R771 | A763-A767 WeakPolarHBondContact O-CB 3.44Å; A763-A767 PolarHBondContact O-N 3.41Å; E764-A767 PolarHBondContact O-N 3.46Å; E764-A767 VanDerWaalsContact O-N 3.17Å; A767-A770 PolarHBondContact O-N 2.99Å; A767-R771 WeakPolarHBondContact O-CG 3.27Å; A767-R771 PolarHBondContact O-N 3.42Å; A767-R771 VanDerWaalsContact O-N 3.11Å |
| 768 | T | 75.3 | Confident | 81.5 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 175.7 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | E764 I765 A770 R771 F772 | E764-T768 WeakPolarHBondContact O-CG2 3.42Å; E764-T768 PolarHBondContact O-N 2.98Å; E764-T768 PolarHBondContact O-OG1 3.38Å; E764-T768 VanDerWaalsContact O-OG1 3.13Å; I765-T768 WeakPolarHBondContact CA-OG1 3.47Å; I765-T768 PolarHBondContact O-N 2.9Å; I765-T768 PolarHBondContact O-OG1 3.38Å; T768-A770 VanDerWaalsContact C-N 3.35Å; T768-A770 PolarHBondContact O-N 3.45Å; T768-R771 PolarHBondContact O-N 3.15Å; T768-F772 WeakPolarHBondContact O-CB 2.93Å; T768-F772 PolarHBondContact O-N 2.89Å |
| 769 | T | 79.5 | Confident | 82 | Confident | 66 Ų | 66 | 94 Ų | 94 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 174.1 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | I765 N766 F772 N773 | I765-T769 VanDerWaalsContact O-CB 3.3Å; I765-T769 WeakPolarHBondContact O-CB 3.15Å; I765-T769 PolarHBondContact O-N 2.62Å; I765-T769 PolarHBondContact O-OG1 3.24Å; N766-T769 PolarHBondContact O-N 3.2Å; T769-F772 PolarHBondContact O-N 3.1Å; T769-N773 PolarHBondContact O-N 2.98Å; T769-N773 PolarHBondContact O-ND2 2.88Å |
| 770 | A | 85.3 | Confident | 82.2 | Confident | 51 Ų | 51 | 93 Ų | 93 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N766 A767 T768 F772 N773 D774 | N766-A770 PolarHBondContact O-N 2.91Å; A767-A770 PolarHBondContact O-N 2.99Å; T768-A770 VanDerWaalsContact C-N 3.35Å; T768-A770 PolarHBondContact O-N 3.45Å; A770-F772 VanDerWaalsContact C-N 3.3Å; A770-F772 PolarHBondContact O-N 3.45Å; A770-N773 PolarHBondContact O-N 3.36Å; A770-D774 PolarHBondContact O-N 3.46Å |
| 771 | R | 86.7 | Confident | 82.5 | Confident | 185 Ų | 185 | 96.6 Ų | 96.6 | 70% | 0.698 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 175.5 | -68.1 | 178 | -155.6 | -170.3 | 7.3 | 111.9 | A767 T768 D774 L775 | A767-R771 WeakPolarHBondContact O-CG 3.27Å; A767-R771 PolarHBondContact O-N 3.42Å; A767-R771 VanDerWaalsContact O-N 3.11Å; T768-R771 PolarHBondContact O-N 3.15Å; R771-D774 PolarHBondContact O-N 3.21Å; R771-L775 WeakPolarHBondContact O-CB 3.27Å; R771-L775 PolarHBondContact O-N 3.01Å |
| 772 | F | 81.7 | Confident | 83.1 | Confident | 134 Ų | 134 | 95.8 Ų | 95.8 | 59% | 0.588 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 176.4 | -179.3 | -95.8 | 0 | 0 | 0 | 112.1 | T768 T769 A770 D774 L775 T776 | T768-F772 WeakPolarHBondContact O-CB 2.93Å; T768-F772 PolarHBondContact O-N 2.89Å; T769-F772 PolarHBondContact O-N 3.1Å; A770-F772 VanDerWaalsContact C-N 3.3Å; A770-F772 PolarHBondContact O-N 3.45Å; F772-D774 PolarHBondContact O-N 3.47Å; F772-L775 PolarHBondContact O-N 2.95Å; F772-T776 WeakPolarHBondContact O-CB 3.34Å; F772-T776 PolarHBondContact O-N 3.31Å; F772-T776 PolarHBondContact O-OG1 3.35Å |
| 773 | N | 82.8 | Confident | 83.3 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 43% | 0.433 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 177.1 | -70.9 | -27.6 | 0 | 0 | 0 | 112.3 | T769 A770 T776 R777 | T769-N773 PolarHBondContact O-N 2.98Å; T769-N773 PolarHBondContact O-ND2 2.88Å; A770-N773 PolarHBondContact O-N 3.36Å; N773-T776 PolarHBondContact O-N 3.42Å; N773-R777 WeakPolarHBondContact O-CG 3.49Å; N773-R777 PolarHBondContact O-N 3.28Å |
| 774 | D | 86.6 | Confident | 83.4 | Confident | 85 Ų | 85 | 94.9 Ų | 94.9 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 175.3 | -79.5 | -15.5 | 0 | 0 | 0 | 112.1 | A770 R771 F772 T776 R777 K778 | A770-D774 PolarHBondContact O-N 3.46Å; R771-D774 PolarHBondContact O-N 3.21Å; F772-D774 PolarHBondContact O-N 3.47Å; D774-T776 VanDerWaalsContact C-N 3.35Å; D774-R777 PolarHBondContact O-N 2.73Å; D774-R777 IonicContact OD1-NH1 2.84Å; D774-K778 WeakPolarHBondContact O-CG 3.48Å; D774-K778 PolarHBondContact O-N 3.39Å |
| 775 | L | 83.8 | Confident | 83.6 | Confident | 116 Ų | 116 | 94.9 Ų | 94.9 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 175 | -163.1 | 70.9 | 0 | 0 | 0 | 111.4 | R771 F772 K778 H779 | R771-L775 WeakPolarHBondContact O-CB 3.27Å; R771-L775 PolarHBondContact O-N 3.01Å; F772-L775 PolarHBondContact O-N 2.95Å; L775-K778 PolarHBondContact O-N 3.48Å; L775-H779 WeakPolarHBondContact O-CB 3.45Å; L775-H779 PolarHBondContact O-N 2.93Å |
| 776 | T | 76 | Confident | 83.9 | Confident | 37 Ų | 37 | 94.9 Ų | 94.9 | 23% | 0.227 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 176 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | F772 N773 D774 K778 H779 E780 | F772-T776 WeakPolarHBondContact O-CB 3.34Å; F772-T776 PolarHBondContact O-N 3.31Å; F772-T776 PolarHBondContact O-OG1 3.35Å; N773-T776 PolarHBondContact O-N 3.42Å; D774-T776 VanDerWaalsContact C-N 3.35Å; T776-K778 VanDerWaalsContact C-N 3.35Å; T776-K778 PolarHBondContact O-N 2.87Å; T776-H779 WeakPolarHBondContact O-CB 3.44Å; T776-H779 PolarHBondContact O-N 2.93Å; T776-E780 WeakPolarHBondContact O-CG 3.35Å; T776-E780 PolarHBondContact O-N 3.45Å |
| 777 | R | 87.1 | Confident | 83.8 | Confident | 161 Ų | 161 | 97.3 Ų | 97.3 | 61% | 0.608 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.2 | -38.7 | 175.1 | -72.2 | 173.2 | 177.7 | 168.4 | -2.2 | 112.8 | N773 D774 K781 | N773-R777 WeakPolarHBondContact O-CG 3.49Å; N773-R777 PolarHBondContact O-N 3.28Å; D774-R777 PolarHBondContact O-N 2.73Å; D774-R777 IonicContact OD1-NH1 2.84Å; R777-K781 WeakPolarHBondContact O-CG 3.45Å; R777-K781 PolarHBondContact O-N 2.95Å; R777-K781 VanDerWaalsContact O-N 3.16Å |
| 778 | K | 86.9 | Confident | 83.9 | Confident | 139 Ų | 139 | 100.1 Ų | 100.1 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 174.8 | -74 | 175.1 | -177.8 | 179.2 | 0 | 111.1 | D774 L775 T776 K781 T782 | D774-K778 WeakPolarHBondContact O-CG 3.48Å; D774-K778 PolarHBondContact O-N 3.39Å; L775-K778 PolarHBondContact O-N 3.48Å; T776-K778 VanDerWaalsContact C-N 3.35Å; T776-K778 PolarHBondContact O-N 2.87Å; K778-K781 PolarHBondContact O-N 3.14Å; K778-T782 PolarHBondContact O-N 3Å; K778-T782 PolarHBondContact O-OG1 3.42Å; K778-T782 VanDerWaalsContact O-OG1 3.05Å |
| 779 | H | 85.6 | Confident | 84.4 | Confident | 83 Ų | 83 | 100.7 Ų | 100.7 | 38% | 0.384 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 176.9 | 179.1 | 70.6 | 0 | 0 | 0 | 112.2 | L775 T776 K781 T782 C783 | L775-H779 WeakPolarHBondContact O-CB 3.45Å; L775-H779 PolarHBondContact O-N 2.93Å; T776-H779 WeakPolarHBondContact O-CB 3.44Å; T776-H779 PolarHBondContact O-N 2.93Å; H779-K781 VanDerWaalsContact C-N 3.33Å; H779-K781 PolarHBondContact O-N 3.15Å; H779-T782 WeakPolarHBondContact CA-OG1 3.5Å; H779-T782 PolarHBondContact O-N 3.39Å; H779-T782 PolarHBondContact O-OG1 2.68Å; H779-T782 VanDerWaalsContact O-OG1 3.08Å; H779-C783 VanDerWaalsContact CE1-SG 3.51Å; H779-C783 WeakPolarHBondContact O-CB 3.11Å; H779-C783 PolarHBondContact O-N 2.92Å; H779-C783 PolarHBondContact O-SG 2.92Å |
| 780 | E | 85.6 | Confident | 84.4 | Confident | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 173.4 | -74.8 | 172.9 | 179 | 0 | 0 | 111.9 | T776 C783 T784 | T776-E780 WeakPolarHBondContact O-CG 3.35Å; T776-E780 PolarHBondContact O-N 3.45Å; E780-C783 PolarHBondContact O-N 3.03Å; E780-T784 WeakPolarHBondContact O-CG2 3.12Å; E780-T784 PolarHBondContact O-N 3.12Å; E780-T784 PolarHBondContact O-OG1 3.3Å |
| 781 | K | 88.7 | Confident | 84.4 | Confident | 135 Ų | 135 | 108.9 Ų | 108.9 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62 | -49.6 | 175.9 | -72.8 | -179.4 | 179.4 | -172.6 | 0 | 112.1 | R777 K778 H779 C783 T784 E785 | R777-K781 WeakPolarHBondContact O-CG 3.45Å; R777-K781 PolarHBondContact O-N 2.95Å; R777-K781 VanDerWaalsContact O-N 3.16Å; K778-K781 PolarHBondContact O-N 3.14Å; H779-K781 VanDerWaalsContact C-N 3.33Å; H779-K781 PolarHBondContact O-N 3.15Å; K781-C783 VanDerWaalsContact C-N 3.31Å; K781-C783 PolarHBondContact O-N 3.41Å; K781-T784 WeakPolarHBondContact CA-OG1 3.49Å; K781-T784 PolarHBondContact O-N 3.3Å; K781-T784 VanDerWaalsContact O-N 3.13Å; K781-T784 PolarHBondContact O-OG1 3.31Å; K781-E785 WeakPolarHBondContact O-CG 3.15Å; K781-E785 PolarHBondContact O-N 2.94Å |
| 782 | T | 83.4 | Confident | 84.4 | Confident | 70 Ų | 70 | 104 Ų | 104 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 178.5 | 44.2 | 0 | 0 | 0 | 0 | 112 | K778 H779 T784 E785 V786 | K778-T782 PolarHBondContact O-N 3Å; K778-T782 PolarHBondContact O-OG1 3.42Å; K778-T782 VanDerWaalsContact O-OG1 3.05Å; H779-T782 WeakPolarHBondContact CA-OG1 3.5Å; H779-T782 PolarHBondContact O-N 3.39Å; H779-T782 PolarHBondContact O-OG1 2.68Å; H779-T782 VanDerWaalsContact O-OG1 3.08Å; T782-T784 PolarHBondContact O-N 2.87Å; T782-E785 PolarHBondContact O-N 3.09Å; T782-V786 WeakPolarHBondContact O-CB 3.26Å; T782-V786 VanDerWaalsContact O-CG2 3.22Å; T782-V786 WeakPolarHBondContact O-CG2 3.43Å; T782-V786 PolarHBondContact O-N 3.44Å |
| 783 | C | 78.9 | Confident | 84.5 | Confident | 38 Ų | 38 | 100.4 Ų | 100.4 | 26% | 0.257 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 171.5 | -76.2 | 0 | 0 | 0 | 0 | 111.6 | H779 E780 K781 E785 V786 F787 | H779-C783 VanDerWaalsContact CE1-SG 3.51Å; H779-C783 WeakPolarHBondContact O-CB 3.11Å; H779-C783 PolarHBondContact O-N 2.92Å; H779-C783 PolarHBondContact O-SG 2.92Å; E780-C783 PolarHBondContact O-N 3.03Å; K781-C783 VanDerWaalsContact C-N 3.31Å; K781-C783 PolarHBondContact O-N 3.41Å; C783-E785 VanDerWaalsContact C-N 3.34Å; C783-E785 PolarHBondContact O-N 2.72Å; C783-V786 PolarHBondContact O-N 2.81Å; C783-F787 WeakPolarHBondContact O-CD2 3.46Å; C783-F787 PolarHBondContact O-N 3.28Å |
| 784 | T | 85.5 | Confident | 84.6 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -38.6 | 178 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | E780 K781 T782 F787 Q788 | E780-T784 WeakPolarHBondContact O-CG2 3.12Å; E780-T784 PolarHBondContact O-N 3.12Å; E780-T784 PolarHBondContact O-OG1 3.3Å; K781-T784 WeakPolarHBondContact CA-OG1 3.49Å; K781-T784 PolarHBondContact O-N 3.3Å; K781-T784 VanDerWaalsContact O-N 3.13Å; K781-T784 PolarHBondContact O-OG1 3.31Å; T782-T784 PolarHBondContact O-N 2.87Å; T784-F787 PolarHBondContact O-N 2.86Å; T784-Q788 PolarHBondContact O-N 3.44Å |
| 785 | E | 88.5 | Confident | 84.8 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.8 | -71.5 | 168.8 | -173.7 | 0 | 0 | 111.3 | K781 T782 C783 F787 Q788 V789 | K781-E785 WeakPolarHBondContact O-CG 3.15Å; K781-E785 PolarHBondContact O-N 2.94Å; T782-E785 PolarHBondContact O-N 3.09Å; C783-E785 VanDerWaalsContact C-N 3.34Å; C783-E785 PolarHBondContact O-N 2.72Å; E785-F787 PolarHBondContact O-N 2.89Å; E785-Q788 WeakPolarHBondContact O-CB 3.07Å; E785-Q788 PolarHBondContact O-N 3.14Å; E785-V789 WeakPolarHBondContact O-CG2 3.19Å; E785-V789 PolarHBondContact O-N 2.98Å |
| 786 | V | 84.6 | Confident | 84.9 | Confident | 89 Ų | 89 | 103 Ų | 103 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | T782 C783 Q788 V789 Q790 | T782-V786 WeakPolarHBondContact O-CB 3.26Å; T782-V786 VanDerWaalsContact O-CG2 3.22Å; T782-V786 WeakPolarHBondContact O-CG2 3.43Å; T782-V786 PolarHBondContact O-N 3.44Å; C783-V786 PolarHBondContact O-N 2.81Å; V786-Q788 VanDerWaalsContact C-N 3.29Å; V786-Q788 PolarHBondContact O-N 3.35Å; V786-V789 PolarHBondContact O-N 3.4Å; V786-Q790 VanDerWaalsContact O-CB 3.28Å; V786-Q790 WeakPolarHBondContact O-CB 3.12Å; V786-Q790 PolarHBondContact O-N 3.02Å |
| 787 | F | 82.1 | Confident | 85.5 | Confident | 143 Ų | 143 | 107.4 Ų | 107.4 | 63% | 0.627 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -37.4 | 175.1 | -80.1 | -62.1 | 0 | 0 | 0 | 112.4 | C783 T784 E785 R791 | C783-F787 WeakPolarHBondContact O-CD2 3.46Å; C783-F787 PolarHBondContact O-N 3.28Å; T784-F787 PolarHBondContact O-N 2.86Å; E785-F787 PolarHBondContact O-N 2.89Å; F787-R791 WeakPolarHBondContact O-CB 3.47Å; F787-R791 PolarHBondContact O-N 3.43Å |
| 788 | Q | 86.6 | Confident | 85.5 | Confident | 101 Ų | 101 | 102.7 Ų | 102.7 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -49.8 | 176.2 | -176.9 | 173.8 | -8.1 | 0 | 0 | 111.4 | T784 E785 V786 Q790 R791 E792 | T784-Q788 PolarHBondContact O-N 3.44Å; E785-Q788 WeakPolarHBondContact O-CB 3.07Å; E785-Q788 PolarHBondContact O-N 3.14Å; V786-Q788 VanDerWaalsContact C-N 3.29Å; V786-Q788 PolarHBondContact O-N 3.35Å; Q788-Q790 VanDerWaalsContact C-N 3.29Å; Q788-Q790 PolarHBondContact O-N 3.26Å; Q788-R791 WeakPolarHBondContact O-CB 3.12Å; Q788-R791 PolarHBondContact O-N 2.75Å; Q788-R791 VanDerWaalsContact O-N 3.15Å; Q788-E792 WeakPolarHBondContact CG-OE1 3.48Å; Q788-E792 PolarHBondContact NE2-OE1 3.08Å; Q788-E792 WeakPolarHBondContact O-CG 3.15Å; Q788-E792 PolarHBondContact O-N 3.37Å |
| 789 | V | 85.6 | Confident | 85.5 | Confident | 92 Ų | 92 | 100.6 Ų | 100.6 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -39.8 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | E785 V786 R791 E792 A793 | E785-V789 WeakPolarHBondContact O-CG2 3.19Å; E785-V789 PolarHBondContact O-N 2.98Å; V786-V789 PolarHBondContact O-N 3.4Å; V789-R791 VanDerWaalsContact C-N 3.34Å; V789-R791 PolarHBondContact O-N 3.03Å; V789-E792 PolarHBondContact O-N 3.33Å; V789-A793 WeakPolarHBondContact O-CB 3.39Å; V789-A793 PolarHBondContact O-N 3.32Å |
| 790 | Q | 79.6 | Confident | 85.6 | Confident | 112 Ų | 112 | 104.8 Ų | 104.8 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 178 | -167 | 163.7 | 5.4 | 0 | 0 | 112.1 | V786 Q788 L794 | V786-Q790 VanDerWaalsContact O-CB 3.28Å; V786-Q790 WeakPolarHBondContact O-CB 3.12Å; V786-Q790 PolarHBondContact O-N 3.02Å; Q788-Q790 VanDerWaalsContact C-N 3.29Å; Q788-Q790 PolarHBondContact O-N 3.26Å; Q790-L794 VanDerWaalsContact O-CG 3.32Å; Q790-L794 WeakPolarHBondContact O-CG 3.37Å; Q790-L794 PolarHBondContact O-N 2.87Å |
| 791 | R | 86 | Confident | 85.8 | Confident | 178 Ų | 178 | 105.1 Ų | 105.1 | 67% | 0.672 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -42.8 | 173.6 | -168.8 | -179.1 | 71.2 | 179.5 | 1.6 | 111.8 | F787 Q788 V789 L794 F795 | F787-R791 WeakPolarHBondContact O-CB 3.47Å; F787-R791 PolarHBondContact O-N 3.43Å; Q788-R791 WeakPolarHBondContact O-CB 3.12Å; Q788-R791 PolarHBondContact O-N 2.75Å; Q788-R791 VanDerWaalsContact O-N 3.15Å; V789-R791 VanDerWaalsContact C-N 3.34Å; V789-R791 PolarHBondContact O-N 3.03Å; R791-L794 PolarHBondContact O-N 3.06Å; R791-F795 WeakPolarHBondContact O-CB 3.3Å; R791-F795 PolarHBondContact O-N 2.99Å |
| 792 | E | 85.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.1 | -71.8 | 170 | -169.8 | 0 | 0 | 111.5 | Q788 V789 L794 F795 H796 | Q788-E792 WeakPolarHBondContact CG-OE1 3.48Å; Q788-E792 PolarHBondContact NE2-OE1 3.08Å; Q788-E792 WeakPolarHBondContact O-CG 3.15Å; Q788-E792 PolarHBondContact O-N 3.37Å; V789-E792 PolarHBondContact O-N 3.33Å; E792-L794 PolarHBondContact O-N 3.27Å; E792-F795 WeakPolarHBondContact O-CB 3.34Å; E792-F795 PolarHBondContact O-N 3.49Å; E792-H796 PolarHBondContact O-CD2 3Å; E792-H796 VanDerWaalsContact O-CD2 3.22Å; E792-H796 PolarHBondContact O-N 2.95Å |
| 793 | A | 84.4 | Confident | 85.9 | Confident | 57 Ų | 57 | 100.1 Ų | 100.1 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V789 F795 H796 K797 | V789-A793 WeakPolarHBondContact O-CB 3.39Å; V789-A793 PolarHBondContact O-N 3.32Å; A793-F795 VanDerWaalsContact C-N 3.35Å; A793-H796 PolarHBondContact O-N 3.2Å; A793-K797 WeakPolarHBondContact O-CB 3.32Å; A793-K797 PolarHBondContact O-N 3.41Å |
| 794 | L | 85.9 | Confident | 86.5 | Confident | 112 Ų | 112 | 102.7 Ų | 102.7 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 174.7 | -73 | 174.4 | 0 | 0 | 0 | 112 | Q790 R791 E792 K797 S798 | Q790-L794 VanDerWaalsContact O-CG 3.32Å; Q790-L794 WeakPolarHBondContact O-CG 3.37Å; Q790-L794 PolarHBondContact O-N 2.87Å; R791-L794 PolarHBondContact O-N 3.06Å; E792-L794 PolarHBondContact O-N 3.27Å; L794-K797 PolarHBondContact O-N 3.42Å; L794-S798 PolarHBondContact O-N 3.04Å |
| 795 | F | 89.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 101.7 Ų | 101.7 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -51.7 | 174.8 | 179.8 | -99.8 | 0 | 0 | 0 | 111.1 | R791 E792 A793 K797 S798 E799 | R791-F795 WeakPolarHBondContact O-CB 3.3Å; R791-F795 PolarHBondContact O-N 2.99Å; E792-F795 WeakPolarHBondContact O-CB 3.34Å; E792-F795 PolarHBondContact O-N 3.49Å; A793-F795 VanDerWaalsContact C-N 3.35Å; F795-K797 VanDerWaalsContact C-N 3.29Å; F795-K797 PolarHBondContact O-N 3.15Å; F795-S798 WeakPolarHBondContact O-CB 3.3Å; F795-S798 PolarHBondContact O-N 2.74Å; F795-S798 PolarHBondContact O-OG 3.34Å; F795-E799 HydrophobicContact CD1-CG 4.39Å; F795-E799 HydrophobicContact CE1-CG 3.96Å; F795-E799 WeakPolarHBondContact CE1-OE1 3.33Å; F795-E799 WeakPolarHBondContact CE1-OE2 3.25Å; F795-E799 HydrophobicContact CZ-CG 4.07Å; F795-E799 VanDerWaalsContact CZ-OE1 3.22Å; F795-E799 WeakPolarHBondContact CZ-OE1 3.4Å; F795-E799 PolarHBondContact O-N 2.75Å |
| 796 | H | 87.6 | Confident | 86.8 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -31.6 | 177.6 | -70.3 | -48.3 | 0 | 0 | 0 | 113.4 | E792 A793 S798 E799 R800 | E792-H796 PolarHBondContact O-CD2 3Å; E792-H796 VanDerWaalsContact O-CD2 3.22Å; E792-H796 PolarHBondContact O-N 2.95Å; A793-H796 PolarHBondContact O-N 3.2Å; H796-S798 VanDerWaalsContact C-N 3.34Å; H796-E799 IonicContact CE1-OE2 3.64Å; H796-E799 IonicContact ND1-OE2 2.71Å; H796-E799 PolarHBondContact ND1-OE2 2.58Å; H796-E799 VanDerWaalsContact ND1-OE2 3.13Å; H796-E799 PolarHBondContact O-N 2.83Å; H796-R800 WeakPolarHBondContact O-CB 3.48Å; H796-R800 PolarHBondContact O-N 2.71Å |
| 797 | K | 87.2 | Confident | 87.1 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 171.6 | -173 | 177.5 | -179.3 | 178.8 | 0 | 111.5 | A793 L794 F795 R800 Q801 | A793-K797 WeakPolarHBondContact O-CB 3.32Å; A793-K797 PolarHBondContact O-N 3.41Å; L794-K797 PolarHBondContact O-N 3.42Å; F795-K797 VanDerWaalsContact C-N 3.29Å; F795-K797 PolarHBondContact O-N 3.15Å; K797-R800 PolarHBondContact O-N 3.34Å; K797-Q801 WeakPolarHBondContact O-CG 3.35Å; K797-Q801 PolarHBondContact O-N 3.42Å |
| 798 | S | 86.6 | Confident | 87.6 | Confident | 61 Ų | 61 | 100.2 Ų | 100.2 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.8 | 76.2 | 0 | 0 | 0 | 0 | 112.3 | L794 F795 H796 Q801 A802 | L794-S798 PolarHBondContact O-N 3.04Å; F795-S798 WeakPolarHBondContact O-CB 3.3Å; F795-S798 PolarHBondContact O-N 2.74Å; F795-S798 PolarHBondContact O-OG 3.34Å; H796-S798 VanDerWaalsContact C-N 3.34Å; S798-Q801 PolarHBondContact O-N 3.42Å; S798-A802 PolarHBondContact O-N 2.86Å |
| 799 | E | 88.4 | Confident | 87.9 | Confident | 95 Ų | 95 | 99.2 Ų | 99.2 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 175.1 | -70.5 | -173.1 | 138.8 | 0 | 0 | 111.8 | F795 H796 A802 A803 | F795-E799 HydrophobicContact CD1-CG 4.39Å; F795-E799 HydrophobicContact CE1-CG 3.96Å; F795-E799 WeakPolarHBondContact CE1-OE1 3.33Å; F795-E799 WeakPolarHBondContact CE1-OE2 3.25Å; F795-E799 HydrophobicContact CZ-CG 4.07Å; F795-E799 VanDerWaalsContact CZ-OE1 3.22Å; F795-E799 WeakPolarHBondContact CZ-OE1 3.4Å; F795-E799 PolarHBondContact O-N 2.75Å; H796-E799 IonicContact CE1-OE2 3.64Å; H796-E799 IonicContact ND1-OE2 2.71Å; H796-E799 PolarHBondContact ND1-OE2 2.58Å; H796-E799 VanDerWaalsContact ND1-OE2 3.13Å; H796-E799 PolarHBondContact O-N 2.83Å; E799-A802 WeakPolarHBondContact O-CB 3.44Å; E799-A802 PolarHBondContact O-N 3.02Å; E799-A803 PolarHBondContact O-N 3.49Å |
| 800 | R | 88.1 | Confident | 88.2 | Confident | 171 Ų | 171 | 98.8 Ų | 98.8 | 65% | 0.645 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 175.9 | -178.8 | 175.9 | 175.4 | 152.7 | 3.1 | 111.7 | H796 K797 A802 A803 E804 | H796-R800 WeakPolarHBondContact O-CB 3.48Å; H796-R800 PolarHBondContact O-N 2.71Å; K797-R800 PolarHBondContact O-N 3.34Å; R800-A802 VanDerWaalsContact C-N 3.3Å; R800-A802 PolarHBondContact O-N 3.4Å; R800-A803 PolarHBondContact O-N 2.98Å; R800-E804 HydrophobicContact CG-CG 4.39Å; R800-E804 WeakPolarHBondContact CG-OE1 3.43Å; R800-E804 IonicContact CZ-OE1 3.9Å; R800-E804 IonicContact NE-OE1 3.67Å; R800-E804 PolarHBondContact NE-OE1 2.95Å; R800-E804 IonicContact NH2-OE1 3.69Å; R800-E804 WeakPolarHBondContact O-CB 3.33Å; R800-E804 WeakPolarHBondContact O-CG 3.37Å; R800-E804 PolarHBondContact O-N 3.25Å |
| 801 | Q | 88.5 | Confident | 88.7 | Confident | 112 Ų | 112 | 99 Ų | 99 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 176 | -74 | 179.4 | -17.6 | 0 | 0 | 112 | K797 S798 E804 S805 | K797-Q801 WeakPolarHBondContact O-CG 3.35Å; K797-Q801 PolarHBondContact O-N 3.42Å; S798-Q801 PolarHBondContact O-N 3.42Å; Q801-E804 PolarHBondContact O-N 2.76Å; Q801-S805 WeakPolarHBondContact O-CB 3.49Å; Q801-S805 PolarHBondContact O-N 3.21Å |
| 802 | A | 89.8 | Confident | 89.1 | Confident | 46 Ų | 46 | 96.7 Ų | 96.7 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S798 E799 R800 S805 Q806 | S798-A802 PolarHBondContact O-N 2.86Å; E799-A802 WeakPolarHBondContact O-CB 3.44Å; E799-A802 PolarHBondContact O-N 3.02Å; R800-A802 VanDerWaalsContact C-N 3.3Å; R800-A802 PolarHBondContact O-N 3.4Å; A802-S805 PolarHBondContact O-N 2.95Å; A802-S805 PolarHBondContact O-OG 3.36Å; A802-Q806 WeakPolarHBondContact O-CG 3.42Å; A802-Q806 PolarHBondContact O-N 2.94Å |
| 803 | A | 85.2 | Confident | 89.5 | Confident | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E799 R800 S805 Q806 L807 | E799-A803 PolarHBondContact O-N 3.49Å; R800-A803 PolarHBondContact O-N 2.98Å; A803-S805 VanDerWaalsContact C-N 3.35Å; A803-S805 PolarHBondContact O-N 3.46Å; A803-Q806 PolarHBondContact O-N 2.94Å; A803-L807 WeakPolarHBondContact O-CB 3.33Å; A803-L807 PolarHBondContact O-N 2.87Å |
| 804 | E | 90.3 | Very high | 89.9 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.3 | -75.5 | 169.9 | -177.4 | 0 | 0 | 111.2 | R800 Q801 Q806 L807 V808 | R800-E804 HydrophobicContact CG-CG 4.39Å; R800-E804 WeakPolarHBondContact CG-OE1 3.43Å; R800-E804 IonicContact CZ-OE1 3.9Å; R800-E804 IonicContact NE-OE1 3.67Å; R800-E804 PolarHBondContact NE-OE1 2.95Å; R800-E804 IonicContact NH2-OE1 3.69Å; R800-E804 WeakPolarHBondContact O-CB 3.33Å; R800-E804 WeakPolarHBondContact O-CG 3.37Å; R800-E804 PolarHBondContact O-N 3.25Å; Q801-E804 PolarHBondContact O-N 2.76Å; E804-Q806 VanDerWaalsContact C-N 3.33Å; E804-Q806 PolarHBondContact O-N 2.95Å; E804-L807 PolarHBondContact O-N 3.49Å; E804-V808 WeakPolarHBondContact O-CG2 3.41Å; E804-V808 PolarHBondContact O-N 2.87Å |
| 805 | S | 90.1 | Very high | 90.2 | Very high | 70 Ų | 70 | 97.4 Ų | 97.4 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.2 | 77.8 | 0 | 0 | 0 | 0 | 112.3 | Q801 A802 A803 V808 T809 | Q801-S805 WeakPolarHBondContact O-CB 3.49Å; Q801-S805 PolarHBondContact O-N 3.21Å; A802-S805 PolarHBondContact O-N 2.95Å; A802-S805 PolarHBondContact O-OG 3.36Å; A803-S805 VanDerWaalsContact C-N 3.35Å; A803-S805 PolarHBondContact O-N 3.46Å; S805-V808 PolarHBondContact O-N 3.46Å; S805-T809 WeakPolarHBondContact O-CG2 3.46Å; S805-T809 PolarHBondContact O-N 3.08Å; S805-T809 VanDerWaalsContact O-N 3.15Å |
| 806 | Q | 91.5 | Very high | 90.4 | Very high | 126 Ų | 126 | 96.3 Ų | 96.3 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -41.6 | 175.3 | -70.5 | 175.3 | 5.8 | 0 | 0 | 111.1 | A802 A803 E804 V808 T809 V810 | A802-Q806 WeakPolarHBondContact O-CG 3.42Å; A802-Q806 PolarHBondContact O-N 2.94Å; A803-Q806 PolarHBondContact O-N 2.94Å; E804-Q806 VanDerWaalsContact C-N 3.33Å; E804-Q806 PolarHBondContact O-N 2.95Å; Q806-V808 VanDerWaalsContact C-N 3.33Å; Q806-V808 PolarHBondContact O-N 3.27Å; Q806-T809 WeakPolarHBondContact CA-OG1 3.47Å; Q806-T809 PolarHBondContact O-N 3.21Å; Q806-T809 VanDerWaalsContact O-N 3.13Å; Q806-T809 PolarHBondContact O-OG1 3.29Å; Q806-V810 WeakPolarHBondContact O-CG2 3.45Å; Q806-V810 PolarHBondContact O-N 3.47Å |
| 807 | L | 90.5 | Very high | 90.7 | Very high | 97 Ų | 97 | 96.2 Ų | 96.2 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 177.8 | -169.5 | 151.4 | 0 | 0 | 0 | 111.5 | A803 E804 T809 V810 Q811 | A803-L807 WeakPolarHBondContact O-CB 3.33Å; A803-L807 PolarHBondContact O-N 2.87Å; E804-L807 PolarHBondContact O-N 3.49Å; L807-T809 VanDerWaalsContact C-N 3.33Å; L807-T809 PolarHBondContact O-N 3.2Å; L807-V810 PolarHBondContact O-N 3.28Å; L807-Q811 HydrophobicContact CD2-CG 3.91Å; L807-Q811 VanDerWaalsContact CD2-NE2 3.3Å; L807-Q811 WeakPolarHBondContact O-CB 3.47Å; L807-Q811 WeakPolarHBondContact O-CG 3.37Å; L807-Q811 PolarHBondContact O-N 3.18Å |
| 808 | V | 93.6 | Very high | 91 | Very high | 89 Ų | 89 | 95.9 Ų | 95.9 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | E804 S805 Q806 V810 Q811 K812 | E804-V808 WeakPolarHBondContact O-CG2 3.41Å; E804-V808 PolarHBondContact O-N 2.87Å; S805-V808 PolarHBondContact O-N 3.46Å; Q806-V808 VanDerWaalsContact C-N 3.33Å; Q806-V808 PolarHBondContact O-N 3.27Å; V808-V810 VanDerWaalsContact C-N 3.35Å; V808-V810 PolarHBondContact O-N 2.92Å; V808-Q811 PolarHBondContact O-N 3.19Å; V808-K812 PolarHBondContact O-N 3.33Å |
| 809 | T | 92 | Very high | 91.3 | Very high | 81 Ų | 81 | 96.2 Ų | 96.2 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 176.7 | 61 | 0 | 0 | 0 | 0 | 112.4 | S805 Q806 L807 K812 Q813 | S805-T809 WeakPolarHBondContact O-CG2 3.46Å; S805-T809 PolarHBondContact O-N 3.08Å; S805-T809 VanDerWaalsContact O-N 3.15Å; Q806-T809 WeakPolarHBondContact CA-OG1 3.47Å; Q806-T809 PolarHBondContact O-N 3.21Å; Q806-T809 VanDerWaalsContact O-N 3.13Å; Q806-T809 PolarHBondContact O-OG1 3.29Å; L807-T809 VanDerWaalsContact C-N 3.33Å; L807-T809 PolarHBondContact O-N 3.2Å; T809-K812 PolarHBondContact O-N 2.74Å; T809-Q813 WeakPolarHBondContact O-CG 3.49Å; T809-Q813 PolarHBondContact O-N 3Å |
| 810 | V | 92 | Very high | 91.6 | Very high | 82 Ų | 82 | 97 Ų | 97 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111 | Q806 L807 V808 K812 Q813 L814 | Q806-V810 WeakPolarHBondContact O-CG2 3.45Å; Q806-V810 PolarHBondContact O-N 3.47Å; L807-V810 PolarHBondContact O-N 3.28Å; V808-V810 VanDerWaalsContact C-N 3.35Å; V808-V810 PolarHBondContact O-N 2.92Å; V810-K812 VanDerWaalsContact C-N 3.31Å; V810-K812 PolarHBondContact O-N 2.86Å; V810-Q813 PolarHBondContact O-N 3.48Å; V810-L814 WeakPolarHBondContact O-CB 3.34Å; V810-L814 PolarHBondContact O-N 3.11Å |
| 811 | Q | 90.8 | Very high | 91.9 | Very high | 116 Ų | 116 | 91.7 Ų | 91.7 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 174.9 | -78.3 | 179.8 | -22.3 | 0 | 0 | 111.8 | L807 V808 L814 S815 | L807-Q811 HydrophobicContact CD2-CG 3.91Å; L807-Q811 VanDerWaalsContact CD2-NE2 3.3Å; L807-Q811 WeakPolarHBondContact O-CB 3.47Å; L807-Q811 WeakPolarHBondContact O-CG 3.37Å; L807-Q811 PolarHBondContact O-N 3.18Å; V808-Q811 PolarHBondContact O-N 3.19Å; Q811-L814 PolarHBondContact O-N 3.06Å; Q811-S815 PolarHBondContact O-N 3.41Å |
| 812 | K | 94.1 | Very high | 92.1 | Very high | 130 Ų | 130 | 88.9 Ų | 88.9 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -48.7 | 174.9 | -174.5 | 179.4 | 175.7 | -176.9 | 0 | 111.4 | V808 T809 V810 L814 S815 E816 | V808-K812 PolarHBondContact O-N 3.33Å; T809-K812 PolarHBondContact O-N 2.74Å; V810-K812 VanDerWaalsContact C-N 3.31Å; V810-K812 PolarHBondContact O-N 2.86Å; K812-L814 VanDerWaalsContact C-N 3.27Å; K812-L814 PolarHBondContact O-N 3.32Å; K812-S815 PolarHBondContact O-N 3.31Å; K812-S815 PolarHBondContact O-OG 2.95Å; K812-E816 VanDerWaalsContact CE-OE1 3.3Å; K812-E816 WeakPolarHBondContact CE-OE1 3.36Å; K812-E816 PolarHBondContact O-N 3.48Å |
| 813 | Q | 94.2 | Very high | 92.3 | Very high | 116 Ų | 116 | 91.6 Ų | 91.6 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 176.5 | -72.3 | 177.6 | -15.5 | 0 | 0 | 112.2 | T809 V810 E816 L817 | T809-Q813 WeakPolarHBondContact O-CG 3.49Å; T809-Q813 PolarHBondContact O-N 3Å; V810-Q813 PolarHBondContact O-N 3.48Å; Q813-E816 PolarHBondContact O-N 3.1Å; Q813-L817 WeakPolarHBondContact O-CG 3.29Å; Q813-L817 PolarHBondContact O-N 2.92Å |
| 814 | L | 92.1 | Very high | 92.7 | Very high | 92 Ų | 92 | 93.2 Ų | 93.2 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 177.9 | -165.3 | 148.3 | 0 | 0 | 0 | 111.5 | V810 Q811 K812 L817 Q818 | V810-L814 WeakPolarHBondContact O-CB 3.34Å; V810-L814 PolarHBondContact O-N 3.11Å; Q811-L814 PolarHBondContact O-N 3.06Å; K812-L814 VanDerWaalsContact C-N 3.27Å; K812-L814 PolarHBondContact O-N 3.32Å; L814-L817 PolarHBondContact O-N 3.43Å; L814-Q818 VanDerWaalsContact CD2-CD 3.45Å; L814-Q818 HydrophobicContact CD2-CG 4Å; L814-Q818 WeakPolarHBondContact O-CB 3.23Å; L814-Q818 VanDerWaalsContact O-CG 3.32Å; L814-Q818 WeakPolarHBondContact O-CG 3.45Å; L814-Q818 PolarHBondContact O-N 3.45Å |
| 815 | S | 91.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 95 Ų | 95 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 174.7 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | Q811 K812 Q818 S819 | Q811-S815 PolarHBondContact O-N 3.41Å; K812-S815 PolarHBondContact O-N 3.31Å; K812-S815 PolarHBondContact O-OG 2.95Å; S815-Q818 PolarHBondContact O-N 2.92Å; S815-S819 PolarHBondContact O-N 3.45Å |
| 816 | E | 94.3 | Very high | 93 | Very high | 90 Ų | 90 | 97.2 Ų | 97.2 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 175 | -76.5 | 173.5 | -171.8 | 0 | 0 | 110.4 | K812 Q813 Q818 S819 Q820 | K812-E816 VanDerWaalsContact CE-OE1 3.3Å; K812-E816 WeakPolarHBondContact CE-OE1 3.36Å; K812-E816 PolarHBondContact O-N 3.48Å; Q813-E816 PolarHBondContact O-N 3.1Å; E816-Q818 VanDerWaalsContact C-N 3.33Å; E816-Q818 PolarHBondContact O-N 3.39Å; E816-S819 PolarHBondContact O-N 2.88Å; E816-S819 PolarHBondContact O-OG 2.89Å; E816-Q820 WeakPolarHBondContact O-CG 3.28Å; E816-Q820 PolarHBondContact O-N 3.45Å |
| 817 | L | 93.1 | Very high | 93.2 | Very high | 111 Ų | 111 | 94.8 Ų | 94.8 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -37.4 | 175.7 | -72.6 | 173 | 0 | 0 | 0 | 112.8 | Q813 L814 Q820 S821 | Q813-L817 WeakPolarHBondContact O-CG 3.29Å; Q813-L817 PolarHBondContact O-N 2.92Å; L814-L817 PolarHBondContact O-N 3.43Å; L817-Q820 PolarHBondContact O-N 3.48Å; L817-S821 WeakPolarHBondContact O-CB 3.4Å; L817-S821 PolarHBondContact O-N 2.86Å |
| 818 | Q | 94.3 | Very high | 93.3 | Very high | 122 Ų | 122 | 96 Ų | 96 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 174.6 | -79.3 | 177.6 | -23.3 | 0 | 0 | 111.6 | L814 S815 E816 Q820 S821 S822 | L814-Q818 VanDerWaalsContact CD2-CD 3.45Å; L814-Q818 HydrophobicContact CD2-CG 4Å; L814-Q818 WeakPolarHBondContact O-CB 3.23Å; L814-Q818 VanDerWaalsContact O-CG 3.32Å; L814-Q818 WeakPolarHBondContact O-CG 3.45Å; L814-Q818 PolarHBondContact O-N 3.45Å; S815-Q818 PolarHBondContact O-N 2.92Å; E816-Q818 VanDerWaalsContact C-N 3.33Å; E816-Q818 PolarHBondContact O-N 3.39Å; Q818-Q820 VanDerWaalsContact C-N 3.33Å; Q818-Q820 PolarHBondContact O-N 3.32Å; Q818-S821 WeakPolarHBondContact O-CB 3.48Å; Q818-S821 PolarHBondContact O-N 3.44Å; Q818-S822 PolarHBondContact O-N 3.09Å; Q818-S822 PolarHBondContact O-OG 2.9Å |
| 819 | S | 93.1 | Very high | 93.3 | Very high | 68 Ų | 68 | 97.7 Ų | 97.7 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 176 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | S815 E816 S822 H823 | S815-S819 PolarHBondContact O-N 3.45Å; E816-S819 PolarHBondContact O-N 2.88Å; E816-S819 PolarHBondContact O-OG 2.89Å; S819-S822 WeakPolarHBondContact CA-OG 3.42Å; S819-S822 PolarHBondContact O-OG 3.28Å; S819-H823 WeakPolarHBondContact O-CB 3.35Å; S819-H823 PolarHBondContact O-N 3.1Å |
| 820 | Q | 95.4 | Very high | 93.4 | Very high | 111 Ų | 111 | 98.2 Ų | 98.2 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 173.5 | -72.1 | 176.6 | 6 | 0 | 0 | 111 | E816 L817 Q818 H823 I824 | E816-Q820 WeakPolarHBondContact O-CG 3.28Å; E816-Q820 PolarHBondContact O-N 3.45Å; L817-Q820 PolarHBondContact O-N 3.48Å; Q818-Q820 VanDerWaalsContact C-N 3.33Å; Q818-Q820 PolarHBondContact O-N 3.32Å; Q820-H823 PolarHBondContact O-N 2.85Å; Q820-I824 VanDerWaalsContact O-CG1 3.26Å; Q820-I824 WeakPolarHBondContact O-CG1 3.28Å; Q820-I824 PolarHBondContact O-N 3.31Å |
| 821 | S | 93.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 99.2 Ų | 99.2 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 112 | L817 Q818 H823 I824 Q825 | L817-S821 WeakPolarHBondContact O-CB 3.4Å; L817-S821 PolarHBondContact O-N 2.86Å; Q818-S821 WeakPolarHBondContact O-CB 3.48Å; Q818-S821 PolarHBondContact O-N 3.44Å; S821-H823 VanDerWaalsContact C-N 3.33Å; S821-H823 PolarHBondContact O-N 3.44Å; S821-I824 PolarHBondContact O-N 3.39Å; S821-Q825 WeakPolarHBondContact O-CG 3.39Å; S821-Q825 PolarHBondContact O-N 3.31Å |
| 822 | S | 93.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 100.3 Ų | 100.3 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 176.5 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | Q818 S819 I824 Q825 E826 | Q818-S822 PolarHBondContact O-N 3.09Å; Q818-S822 PolarHBondContact O-OG 2.9Å; S819-S822 WeakPolarHBondContact CA-OG 3.42Å; S819-S822 PolarHBondContact O-OG 3.28Å; S822-I824 VanDerWaalsContact C-N 3.34Å; S822-I824 PolarHBondContact O-N 2.91Å; S822-Q825 WeakPolarHBondContact O-CB 3.42Å; S822-Q825 PolarHBondContact O-N 3.38Å; S822-Q825 VanDerWaalsContact O-N 3.14Å; S822-E826 PolarHBondContact O-N 2.95Å |
| 823 | H | 94.1 | Very high | 93.5 | Very high | 102 Ų | 102 | 99 Ų | 99 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.6 | -173.3 | 55.9 | 0 | 0 | 0 | 112.2 | S819 Q820 S821 Q825 E826 L827 | S819-H823 WeakPolarHBondContact O-CB 3.35Å; S819-H823 PolarHBondContact O-N 3.1Å; Q820-H823 PolarHBondContact O-N 2.85Å; S821-H823 VanDerWaalsContact C-N 3.33Å; S821-H823 PolarHBondContact O-N 3.44Å; H823-Q825 VanDerWaalsContact C-N 3.3Å; H823-Q825 PolarHBondContact O-N 3.11Å; H823-E826 IonicContact ND1-OE2 3.76Å; H823-E826 PolarHBondContact O-N 3.27Å; H823-L827 WeakPolarHBondContact O-CG 3.14Å; H823-L827 PolarHBondContact O-N 2.98Å |
| 824 | I | 92.9 | Very high | 93.3 | Very high | 90 Ų | 90 | 96.3 Ų | 96.3 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 174.5 | -69.1 | 165.8 | 0 | 0 | 0 | 111 | Q820 S821 S822 L827 H828 | Q820-I824 VanDerWaalsContact O-CG1 3.26Å; Q820-I824 WeakPolarHBondContact O-CG1 3.28Å; Q820-I824 PolarHBondContact O-N 3.31Å; S821-I824 PolarHBondContact O-N 3.39Å; S822-I824 VanDerWaalsContact C-N 3.34Å; S822-I824 PolarHBondContact O-N 2.91Å; I824-L827 PolarHBondContact O-N 3.38Å; I824-H828 PolarHBondContact O-N 3.47Å; I824-H828 PolarHBondContact O-ND1 3.18Å |
| 825 | Q | 92.6 | Very high | 93.3 | Very high | 130 Ų | 130 | 96.8 Ų | 96.8 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 176.3 | -71.3 | 174.7 | 2.5 | 0 | 0 | 112.2 | S821 S822 H823 H828 K829 | S821-Q825 WeakPolarHBondContact O-CG 3.39Å; S821-Q825 PolarHBondContact O-N 3.31Å; S822-Q825 WeakPolarHBondContact O-CB 3.42Å; S822-Q825 PolarHBondContact O-N 3.38Å; S822-Q825 VanDerWaalsContact O-N 3.14Å; H823-Q825 VanDerWaalsContact C-N 3.3Å; H823-Q825 PolarHBondContact O-N 3.11Å; Q825-H828 PolarHBondContact O-N 2.9Å; Q825-K829 PolarHBondContact O-N 3.04Å |
| 826 | E | 94.7 | Very high | 93.3 | Very high | 115 Ų | 115 | 95.7 Ų | 95.7 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 173.3 | -74 | 174.8 | 174.4 | 0 | 0 | 111.4 | S822 H823 H828 K829 D830 | S822-E826 PolarHBondContact O-N 2.95Å; H823-E826 IonicContact ND1-OE2 3.76Å; H823-E826 PolarHBondContact O-N 3.27Å; E826-H828 VanDerWaalsContact C-N 3.28Å; E826-H828 PolarHBondContact O-N 3.11Å; E826-K829 WeakPolarHBondContact O-CA 3.45Å; E826-K829 WeakPolarHBondContact O-CB 3.09Å; E826-K829 PolarHBondContact O-N 2.97Å; E826-D830 PolarHBondContact O-N 3.21Å |
| 827 | L | 94.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 96.6 Ų | 96.6 | 40% | 0.398 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 175.3 | -73.9 | 176.5 | 0 | 0 | 0 | 112.3 | H823 I824 K829 D830 I831 | H823-L827 WeakPolarHBondContact O-CG 3.14Å; H823-L827 PolarHBondContact O-N 2.98Å; I824-L827 PolarHBondContact O-N 3.38Å; L827-K829 VanDerWaalsContact C-N 3.33Å; L827-D830 PolarHBondContact O-N 3.36Å; L827-I831 WeakPolarHBondContact O-CB 3.36Å; L827-I831 WeakPolarHBondContact O-CD1 3.47Å; L827-I831 WeakPolarHBondContact O-CG1 3.25Å; L827-I831 PolarHBondContact O-N 3.34Å |
| 828 | H | 93.1 | Very high | 93.1 | Very high | 121 Ų | 121 | 95 Ų | 95 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 175 | -84 | 78.8 | 0 | 0 | 0 | 112.1 | I824 Q825 E826 I831 Q832 | I824-H828 PolarHBondContact O-N 3.47Å; I824-H828 PolarHBondContact O-ND1 3.18Å; Q825-H828 PolarHBondContact O-N 2.9Å; E826-H828 VanDerWaalsContact C-N 3.28Å; E826-H828 PolarHBondContact O-N 3.11Å; H828-I831 PolarHBondContact O-N 3.34Å; H828-Q832 WeakPolarHBondContact O-CB 3.29Å; H828-Q832 PolarHBondContact O-N 2.86Å |
| 829 | K | 94.6 | Very high | 93 | Very high | 125 Ų | 125 | 94.5 Ų | 94.5 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 175.7 | -174.3 | -173.6 | 173.2 | -167.6 | 0 | 110.9 | Q825 E826 L827 I831 Q832 E833 | Q825-K829 PolarHBondContact O-N 3.04Å; E826-K829 WeakPolarHBondContact O-CA 3.45Å; E826-K829 WeakPolarHBondContact O-CB 3.09Å; E826-K829 PolarHBondContact O-N 2.97Å; L827-K829 VanDerWaalsContact C-N 3.33Å; K829-I831 VanDerWaalsContact C-N 3.32Å; K829-I831 PolarHBondContact O-N 3.02Å; K829-Q832 WeakPolarHBondContact O-CB 3.02Å; K829-Q832 PolarHBondContact O-N 3.31Å; K829-Q832 VanDerWaalsContact O-N 3.09Å; K829-E833 VanDerWaalsContact CE-OE1 3.23Å; K829-E833 WeakPolarHBondContact CE-OE1 3.19Å; K829-E833 WeakPolarHBondContact O-CG 3.1Å; K829-E833 PolarHBondContact O-N 3.09Å |
| 830 | D | 92.9 | Very high | 93 | Very high | 92 Ų | 92 | 94.9 Ų | 94.9 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 178 | -69.8 | -8.3 | 0 | 0 | 0 | 111.9 | E826 L827 Q832 E833 S834 | E826-D830 PolarHBondContact O-N 3.21Å; L827-D830 PolarHBondContact O-N 3.36Å; D830-Q832 VanDerWaalsContact C-N 3.34Å; D830-Q832 PolarHBondContact O-N 3.32Å; D830-E833 PolarHBondContact O-N 3.43Å; D830-S834 WeakPolarHBondContact O-CB 3.2Å; D830-S834 PolarHBondContact O-N 3.24Å |
| 831 | I | 92.9 | Very high | 92.9 | Very high | 103 Ų | 103 | 95.9 Ų | 95.9 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.2 | -71.2 | 165.6 | 0 | 0 | 0 | 110.2 | L827 H828 K829 S834 Q835 | L827-I831 WeakPolarHBondContact O-CB 3.36Å; L827-I831 WeakPolarHBondContact O-CD1 3.47Å; L827-I831 WeakPolarHBondContact O-CG1 3.25Å; L827-I831 PolarHBondContact O-N 3.34Å; H828-I831 PolarHBondContact O-N 3.34Å; K829-I831 VanDerWaalsContact C-N 3.32Å; K829-I831 PolarHBondContact O-N 3.02Å; I831-S834 PolarHBondContact O-N 2.96Å; I831-S834 PolarHBondContact O-OG 3.45Å; I831-Q835 WeakPolarHBondContact O-CB 3.17Å; I831-Q835 PolarHBondContact O-N 2.77Å |
| 832 | Q | 92.6 | Very high | 92.8 | Very high | 139 Ų | 139 | 97.1 Ų | 97.1 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 179.5 | -171.7 | 175.3 | -5.1 | 0 | 0 | 112.2 | H828 K829 D830 Q835 G836 | H828-Q832 WeakPolarHBondContact O-CB 3.29Å; H828-Q832 PolarHBondContact O-N 2.86Å; K829-Q832 WeakPolarHBondContact O-CB 3.02Å; K829-Q832 PolarHBondContact O-N 3.31Å; K829-Q832 VanDerWaalsContact O-N 3.09Å; D830-Q832 VanDerWaalsContact C-N 3.34Å; D830-Q832 PolarHBondContact O-N 3.32Å; Q832-Q835 PolarHBondContact O-N 3.3Å; Q832-G836 PolarHBondContact O-N 3.05Å |
| 833 | E | 93.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 173.8 | -71.2 | -178.8 | -170.2 | 0 | 0 | 111.2 | K829 D830 Q835 G836 L837 | K829-E833 VanDerWaalsContact CE-OE1 3.23Å; K829-E833 WeakPolarHBondContact CE-OE1 3.19Å; K829-E833 WeakPolarHBondContact O-CG 3.1Å; K829-E833 PolarHBondContact O-N 3.09Å; D830-E833 PolarHBondContact O-N 3.43Å; E833-Q835 VanDerWaalsContact C-N 3.29Å; E833-Q835 PolarHBondContact O-N 3.1Å; E833-G836 WeakPolarHBondContact O-CA 3.38Å; E833-G836 PolarHBondContact O-N 3.01Å; E833-G836 VanDerWaalsContact O-N 3.11Å; E833-L837 PolarHBondContact O-N 3.08Å |
| 834 | S | 89.9 | Confident | 92.9 | Very high | 60 Ų | 60 | 102.4 Ų | 102.4 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 176 | 81.4 | 0 | 0 | 0 | 0 | 111.9 | D830 I831 G836 L837 V838 | D830-S834 WeakPolarHBondContact O-CB 3.2Å; D830-S834 PolarHBondContact O-N 3.24Å; I831-S834 PolarHBondContact O-N 2.96Å; I831-S834 PolarHBondContact O-OG 3.45Å; S834-G836 VanDerWaalsContact C-N 3.35Å; S834-L837 WeakPolarHBondContact O-CB 3.37Å; S834-L837 PolarHBondContact O-N 2.96Å; S834-V838 WeakPolarHBondContact O-CG2 3.42Å; S834-V838 PolarHBondContact O-N 3.21Å |
| 835 | Q | 92.4 | Very high | 92.8 | Very high | 102 Ų | 102 | 102.7 Ų | 102.7 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 175.4 | -166.9 | -169.5 | 23.5 | 0 | 0 | 111.3 | I831 Q832 E833 V838 K839 | I831-Q835 WeakPolarHBondContact O-CB 3.17Å; I831-Q835 PolarHBondContact O-N 2.77Å; Q832-Q835 PolarHBondContact O-N 3.3Å; E833-Q835 VanDerWaalsContact C-N 3.29Å; E833-Q835 PolarHBondContact O-N 3.1Å; Q835-V838 PolarHBondContact O-N 2.77Å; Q835-K839 WeakPolarHBondContact O-CG 3.35Å; Q835-K839 PolarHBondContact O-N 3.35Å |
| 836 | G | 90.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 100 Ų | 100 | 38% | 0.381 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q832 E833 S834 V838 K839 E840 | Q832-G836 PolarHBondContact O-N 3.05Å; E833-G836 WeakPolarHBondContact O-CA 3.38Å; E833-G836 PolarHBondContact O-N 3.01Å; E833-G836 VanDerWaalsContact O-N 3.11Å; S834-G836 VanDerWaalsContact C-N 3.35Å; G836-V838 PolarHBondContact O-N 2.89Å; G836-K839 PolarHBondContact O-N 3.05Å; G836-E840 PolarHBondContact O-N 3.11Å |
| 837 | L | 92.1 | Very high | 92.7 | Very high | 108 Ų | 108 | 100 Ų | 100 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 174.7 | -91.7 | 142.6 | 0 | 0 | 0 | 112.8 | E833 S834 E840 K841 | E833-L837 PolarHBondContact O-N 3.08Å; S834-L837 WeakPolarHBondContact O-CB 3.37Å; S834-L837 PolarHBondContact O-N 2.96Å; L837-E840 PolarHBondContact O-N 3.11Å; L837-K841 WeakPolarHBondContact O-CG 3.41Å; L837-K841 PolarHBondContact O-N 3.47Å |
| 838 | V | 92.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 101.2 Ų | 101.2 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | S834 Q835 G836 E840 K841 D842 | S834-V838 WeakPolarHBondContact O-CG2 3.42Å; S834-V838 PolarHBondContact O-N 3.21Å; Q835-V838 PolarHBondContact O-N 2.77Å; G836-V838 PolarHBondContact O-N 2.89Å; V838-E840 PolarHBondContact O-N 2.81Å; V838-K841 WeakPolarHBondContact O-CB 3.38Å; V838-K841 PolarHBondContact O-N 3.29Å; V838-K841 VanDerWaalsContact O-N 3.11Å; V838-D842 PolarHBondContact O-N 2.99Å |
| 839 | K | 92.6 | Very high | 92.4 | Very high | 112 Ų | 112 | 98.6 Ų | 98.6 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | 176.7 | -74.1 | 172.8 | -179.5 | 171.7 | 0 | 112.2 | Q835 G836 D842 R843 | Q835-K839 WeakPolarHBondContact O-CG 3.35Å; Q835-K839 PolarHBondContact O-N 3.35Å; G836-K839 PolarHBondContact O-N 3.05Å; K839-D842 PolarHBondContact O-N 3.43Å; K839-R843 WeakPolarHBondContact O-CG 3.3Å; K839-R843 PolarHBondContact O-N 3.03Å |
| 840 | E | 92.9 | Very high | 92.3 | Very high | 76 Ų | 76 | 98.8 Ų | 98.8 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 177.7 | -172.4 | 57 | -156.3 | 0 | 0 | 112.3 | G836 L837 V838 R843 K844 | G836-E840 PolarHBondContact O-N 3.11Å; L837-E840 PolarHBondContact O-N 3.11Å; V838-E840 PolarHBondContact O-N 2.81Å; E840-R843 PolarHBondContact O-N 3.1Å; E840-R843 IonicContact OE2-NH1 2.69Å; E840-R843 PolarHBondContact OE2-NH1 3.39Å; E840-K844 WeakPolarHBondContact O-CG 3.19Å; E840-K844 PolarHBondContact O-N 3.1Å |
| 841 | K | 91.9 | Very high | 92.2 | Very high | 133 Ų | 133 | 98.9 Ų | 98.9 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 171.4 | -74.6 | 177.6 | 179.4 | 177.2 | 0 | 111.4 | L837 V838 R843 K844 I845 | L837-K841 WeakPolarHBondContact O-CG 3.41Å; L837-K841 PolarHBondContact O-N 3.47Å; V838-K841 WeakPolarHBondContact O-CB 3.38Å; V838-K841 PolarHBondContact O-N 3.29Å; V838-K841 VanDerWaalsContact O-N 3.11Å; K841-R843 PolarHBondContact O-N 3.38Å; K841-K844 PolarHBondContact O-N 3.32Å; K841-I845 VanDerWaalsContact O-CG1 3.3Å; K841-I845 WeakPolarHBondContact O-CG1 3.37Å; K841-I845 PolarHBondContact O-N 3.49Å |
| 842 | D | 92.5 | Very high | 91.9 | Very high | 85 Ų | 85 | 97.4 Ų | 97.4 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177 | -71.4 | -24.4 | 0 | 0 | 0 | 111.5 | V838 K839 K844 I845 T846 | V838-D842 PolarHBondContact O-N 2.99Å; K839-D842 PolarHBondContact O-N 3.43Å; D842-K844 PolarHBondContact O-N 3.25Å; D842-I845 PolarHBondContact O-N 3.26Å; D842-T846 WeakPolarHBondContact O-CG2 3.42Å; D842-T846 PolarHBondContact O-N 3.45Å |
| 843 | R | 94.1 | Very high | 91.7 | Very high | 156 Ų | 156 | 96.6 Ų | 96.6 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.8 | -50.8 | 172.5 | -76.7 | 174.9 | -179.4 | 164.9 | -3.5 | 111.5 | K839 E840 K841 I845 T846 E847 | K839-R843 WeakPolarHBondContact O-CG 3.3Å; K839-R843 PolarHBondContact O-N 3.03Å; E840-R843 PolarHBondContact O-N 3.1Å; E840-R843 IonicContact OE2-NH1 2.69Å; E840-R843 PolarHBondContact OE2-NH1 3.39Å; K841-R843 PolarHBondContact O-N 3.38Å; R843-I845 VanDerWaalsContact C-N 3.32Å; R843-I845 PolarHBondContact O-N 3.11Å; R843-T846 PolarHBondContact O-N 2.92Å; R843-T846 PolarHBondContact O-OG1 3.49Å; R843-E847 PolarHBondContact O-N 2.94Å |
| 844 | K | 94 | Very high | 91.4 | Very high | 111 Ų | 111 | 98.9 Ų | 98.9 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 177.1 | -72.7 | 175.4 | -176.6 | 176.1 | 0 | 112.4 | E840 K841 D842 T846 E847 L848 | E840-K844 WeakPolarHBondContact O-CG 3.19Å; E840-K844 PolarHBondContact O-N 3.1Å; K841-K844 PolarHBondContact O-N 3.32Å; D842-K844 PolarHBondContact O-N 3.25Å; K844-T846 VanDerWaalsContact C-N 3.33Å; K844-T846 PolarHBondContact O-N 2.95Å; K844-E847 PolarHBondContact O-N 3.18Å; K844-L848 WeakPolarHBondContact O-CB 3.3Å; K844-L848 VanDerWaalsContact O-CG 3.3Å; K844-L848 WeakPolarHBondContact O-CG 3.39Å; K844-L848 PolarHBondContact O-N 3.11Å |
| 845 | I | 91.7 | Very high | 91 | Very high | 96 Ų | 96 | 101.6 Ų | 101.6 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 174.4 | -69.7 | 165.4 | 0 | 0 | 0 | 110.3 | K841 D842 R843 E847 S849 | K841-I845 VanDerWaalsContact O-CG1 3.3Å; K841-I845 WeakPolarHBondContact O-CG1 3.37Å; K841-I845 PolarHBondContact O-N 3.49Å; D842-I845 PolarHBondContact O-N 3.26Å; R843-I845 VanDerWaalsContact C-N 3.32Å; R843-I845 PolarHBondContact O-N 3.11Å; I845-E847 PolarHBondContact O-N 3.37Å; I845-S849 VanDerWaalsContact O-CB 3.22Å; I845-S849 WeakPolarHBondContact O-CB 3.31Å; I845-S849 PolarHBondContact O-N 3.22Å; I845-S849 PolarHBondContact O-OG 3.47Å |
| 846 | T | 91.5 | Very high | 90.5 | Very high | 74 Ų | 74 | 103.5 Ų | 103.5 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 177.3 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | D842 R843 K844 S849 K850 | D842-T846 WeakPolarHBondContact O-CG2 3.42Å; D842-T846 PolarHBondContact O-N 3.45Å; R843-T846 PolarHBondContact O-N 2.92Å; R843-T846 PolarHBondContact O-OG1 3.49Å; K844-T846 VanDerWaalsContact C-N 3.33Å; K844-T846 PolarHBondContact O-N 2.95Å; T846-S849 PolarHBondContact O-N 2.87Å; T846-K850 VanDerWaalsContact O-CG 3.3Å; T846-K850 WeakPolarHBondContact O-CG 3.5Å; T846-K850 PolarHBondContact O-N 3.24Å |
| 847 | E | 93 | Very high | 90 | Very high | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -51.1 | 175.5 | -73.1 | 179.9 | 168.7 | 0 | 0 | 111.6 | R843 K844 I845 S849 K850 E851 | R843-E847 PolarHBondContact O-N 2.94Å; K844-E847 PolarHBondContact O-N 3.18Å; I845-E847 PolarHBondContact O-N 3.37Å; E847-S849 VanDerWaalsContact C-N 3.25Å; E847-S849 PolarHBondContact O-N 2.86Å; E847-K850 WeakPolarHBondContact O-CB 3.22Å; E847-K850 PolarHBondContact O-N 3.25Å; E847-E851 PolarHBondContact O-N 2.96Å |
| 848 | L | 91.8 | Very high | 89.1 | Confident | 101 Ų | 101 | 104.7 Ų | 104.7 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 174.7 | -70.8 | 172.3 | 0 | 0 | 0 | 111.2 | K844 K850 E851 V852 | K844-L848 WeakPolarHBondContact O-CB 3.3Å; K844-L848 VanDerWaalsContact O-CG 3.3Å; K844-L848 WeakPolarHBondContact O-CG 3.39Å; K844-L848 PolarHBondContact O-N 3.11Å; L848-K850 VanDerWaalsContact C-N 3.35Å; L848-K850 PolarHBondContact O-N 3.49Å; L848-E851 PolarHBondContact O-N 3.04Å; L848-V852 WeakPolarHBondContact O-CB 3.3Å; L848-V852 VanDerWaalsContact O-CG2 3.27Å; L848-V852 WeakPolarHBondContact O-CG2 3.37Å; L848-V852 PolarHBondContact O-N 3.4Å |
| 849 | S | 89.7 | Confident | 88 | Confident | 67 Ų | 67 | 106.8 Ų | 106.8 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | I845 T846 E847 F853 | I845-S849 VanDerWaalsContact O-CB 3.22Å; I845-S849 WeakPolarHBondContact O-CB 3.31Å; I845-S849 PolarHBondContact O-N 3.22Å; I845-S849 PolarHBondContact O-OG 3.47Å; T846-S849 PolarHBondContact O-N 2.87Å; E847-S849 VanDerWaalsContact C-N 3.25Å; E847-S849 PolarHBondContact O-N 2.86Å; S849-F853 WeakPolarHBondContact O-CB 3.38Å; S849-F853 PolarHBondContact O-N 3.28Å |
| 850 | K | 92.6 | Very high | 86.7 | Confident | 128 Ų | 128 | 103.7 Ų | 103.7 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 173.4 | -72.5 | 168.7 | -178.4 | 174.7 | 0 | 111.6 | T846 E847 L848 F853 R854 | T846-K850 VanDerWaalsContact O-CG 3.3Å; T846-K850 WeakPolarHBondContact O-CG 3.5Å; T846-K850 PolarHBondContact O-N 3.24Å; E847-K850 WeakPolarHBondContact O-CB 3.22Å; E847-K850 PolarHBondContact O-N 3.25Å; L848-K850 VanDerWaalsContact C-N 3.35Å; L848-K850 PolarHBondContact O-N 3.49Å; K850-F853 PolarHBondContact O-N 3.34Å; K850-R854 WeakPolarHBondContact O-CG 3.22Å; K850-R854 PolarHBondContact O-N 3.13Å |
| 851 | E | 90.6 | Very high | 85.2 | Confident | 94 Ų | 94 | 104.2 Ų | 104.2 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.9 | -71 | -178.7 | 170.4 | 0 | 0 | 112.1 | E847 L848 F853 R854 L855 | E847-E851 PolarHBondContact O-N 2.96Å; L848-E851 PolarHBondContact O-N 3.04Å; E851-F853 PolarHBondContact O-N 3.35Å; E851-R854 PolarHBondContact O-N 3.4Å; E851-L855 WeakPolarHBondContact O-CB 3.39Å; E851-L855 WeakPolarHBondContact O-CG 3.29Å; E851-L855 PolarHBondContact O-N 3.38Å |
| 852 | V | 87.8 | Confident | 83.3 | Confident | 73 Ų | 73 | 104.8 Ų | 104.8 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.6 | -39.6 | 173.8 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | L848 L855 K856 | L848-V852 WeakPolarHBondContact O-CB 3.3Å; L848-V852 VanDerWaalsContact O-CG2 3.27Å; L848-V852 WeakPolarHBondContact O-CG2 3.37Å; L848-V852 PolarHBondContact O-N 3.4Å; V852-L855 PolarHBondContact O-N 2.99Å; V852-K856 HydrophobicContact CG1-CD 4.46Å; V852-K856 WeakPolarHBondContact O-CB 3.44Å; V852-K856 WeakPolarHBondContact O-CG 3.31Å; V852-K856 PolarHBondContact O-N 3.18Å |
| 853 | F | 87.8 | Confident | 81 | Confident | 122 Ų | 122 | 105.1 Ų | 105.1 | 54% | 0.535 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 174.9 | -173.1 | -95.5 | 0 | 0 | 0 | 112 | S849 K850 E851 L855 K856 E857 | S849-F853 WeakPolarHBondContact O-CB 3.38Å; S849-F853 PolarHBondContact O-N 3.28Å; K850-F853 PolarHBondContact O-N 3.34Å; E851-F853 PolarHBondContact O-N 3.35Å; F853-L855 VanDerWaalsContact C-N 3.31Å; F853-L855 PolarHBondContact O-N 2.94Å; F853-K856 WeakPolarHBondContact O-CB 3.42Å; F853-K856 PolarHBondContact O-N 2.69Å; F853-K856 VanDerWaalsContact O-N 3.13Å; F853-E857 HydrophobicContact CD1-CG 4.25Å; F853-E857 HydrophobicContact CE1-CG 3.86Å; F853-E857 WeakPolarHBondContact CE1-OE1 3.43Å; F853-E857 HydrophobicContact CZ-CG 4.21Å; F853-E857 PolarHBondContact O-N 3.47Å |
| 854 | R | 88.1 | Confident | 78.6 | Confident | 150 Ų | 150 | 103.5 Ų | 103.5 | 57% | 0.566 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.7 | -41.4 | 174.3 | -75.1 | -173.9 | -116.7 | 137.8 | -1.7 | 112.4 | K850 E851 E857 A858 | K850-R854 WeakPolarHBondContact O-CG 3.22Å; K850-R854 PolarHBondContact O-N 3.13Å; E851-R854 PolarHBondContact O-N 3.4Å; R854-E857 PolarHBondContact O-N 3.32Å; R854-A858 WeakPolarHBondContact O-CB 3.49Å; R854-A858 PolarHBondContact O-N 2.82Å |
| 855 | L | 81.8 | Confident | 76.7 | Confident | 117 Ų | 117 | 103.5 Ų | 103.5 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.3 | -40.4 | 175.7 | -73 | 171.3 | 0 | 0 | 0 | 111.6 | E851 V852 F853 A858 L859 | E851-L855 WeakPolarHBondContact O-CB 3.39Å; E851-L855 WeakPolarHBondContact O-CG 3.29Å; E851-L855 PolarHBondContact O-N 3.38Å; V852-L855 PolarHBondContact O-N 2.99Å; F853-L855 VanDerWaalsContact C-N 3.31Å; F853-L855 PolarHBondContact O-N 2.94Å; L855-A858 PolarHBondContact O-N 2.99Å; L855-L859 WeakPolarHBondContact O-CB 3.38Å; L855-L859 PolarHBondContact O-N 3.49Å |
| 856 | K | 80.6 | Confident | 74.2 | Confident | 143 Ų | 143 | 109.4 Ų | 109.4 | 62% | 0.622 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.4 | -41.9 | 174 | -79.9 | -178.5 | 177.6 | -177.3 | 0 | 112.3 | V852 F853 L859 G860 | V852-K856 HydrophobicContact CG1-CD 4.46Å; V852-K856 WeakPolarHBondContact O-CB 3.44Å; V852-K856 WeakPolarHBondContact O-CG 3.31Å; V852-K856 PolarHBondContact O-N 3.18Å; F853-K856 WeakPolarHBondContact O-CB 3.42Å; F853-K856 PolarHBondContact O-N 2.69Å; F853-K856 VanDerWaalsContact O-N 3.13Å; K856-L859 PolarHBondContact O-N 2.93Å; K856-G860 PolarHBondContact O-N 2.66Å |
| 857 | E | 80.5 | Confident | 71.4 | Confident | 114 Ų | 114 | 110.1 Ų | 110.1 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.9 | -43.2 | 174.6 | -75.8 | -174.1 | 145.3 | 0 | 0 | 111.7 | F853 R854 L859 G860 A861 | F853-E857 HydrophobicContact CD1-CG 4.25Å; F853-E857 HydrophobicContact CE1-CG 3.86Å; F853-E857 WeakPolarHBondContact CE1-OE1 3.43Å; F853-E857 HydrophobicContact CZ-CG 4.21Å; F853-E857 PolarHBondContact O-N 3.47Å; R854-E857 PolarHBondContact O-N 3.32Å; E857-L859 VanDerWaalsContact C-N 3.3Å; E857-L859 PolarHBondContact O-N 2.91Å; E857-G860 PolarHBondContact O-N 3.06Å; E857-A861 WeakPolarHBondContact O-CB 3.5Å; E857-A861 PolarHBondContact O-N 2.97Å |
| 858 | A | 74.3 | Confident | 68.5 | Low | 55 Ų | 55 | 109.8 Ų | 109.8 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.7 | -37.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R854 L855 L862 | R854-A858 WeakPolarHBondContact O-CB 3.49Å; R854-A858 PolarHBondContact O-N 2.82Å; L855-A858 PolarHBondContact O-N 2.99Å; A858-L862 WeakPolarHBondContact O-CG 3.26Å |
| 859 | L | 67.9 | Low | 66.3 | Low | 122 Ų | 122 | 110 Ų | 110 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.6 | -37.9 | 173.8 | -113.6 | 141.8 | 0 | 0 | 0 | 112.7 | L855 K856 E857 L862 | L855-L859 WeakPolarHBondContact O-CB 3.38Å; L855-L859 PolarHBondContact O-N 3.49Å; K856-L859 PolarHBondContact O-N 2.93Å; E857-L859 VanDerWaalsContact C-N 3.3Å; E857-L859 PolarHBondContact O-N 2.91Å; L859-L862 PolarHBondContact O-N 3.26Å |
| 860 | G | 64.7 | Low | 63.4 | Low | 46 Ų | 46 | 112.1 Ų | 112.1 | 47% | 0.474 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.4 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K856 E857 L862 S863 | K856-G860 PolarHBondContact O-N 2.66Å; E857-G860 PolarHBondContact O-N 3.06Å; G860-L862 PolarHBondContact O-N 2.89Å; G860-S863 PolarHBondContact O-N 3.46Å |
| 861 | A | 62.6 | Low | 61.8 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -14.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | E857 | E857-A861 WeakPolarHBondContact O-CB 3.5Å; E857-A861 PolarHBondContact O-N 2.97Å |
| 862 | L | 51.5 | Low | 60.1 | Low | 145 Ų | 145 | 112.4 Ų | 112.4 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 4.5 | 176.8 | -69.1 | 166.8 | 0 | 0 | 0 | 113.9 | A858 L859 G860 | A858-L862 WeakPolarHBondContact O-CG 3.26Å; L859-L862 PolarHBondContact O-N 3.26Å; G860-L862 PolarHBondContact O-N 2.89Å |
| 863 | S | 44.2 | Very low | 57.2 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | -112.9 | 124.4 | -179.5 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | G860 | G860-S863 PolarHBondContact O-N 3.46Š| ||
| 864 | P | 44.1 | Very low | 54.5 | Low | 123 Ų | 123 | 112.9 Ų | 112.9 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | trans | -86.7 | 157.9 | 179.7 | 33.4 | -31.6 | 0 | 0 | 0 | 113.1 | ||||
| 865 | P | 54.2 | Low | 51.8 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | trans | -93.2 | 138.1 | -166.9 | 35.2 | -29.1 | 0 | 0 | 0 | 111.5 | ||||
| 866 | F | 38.2 | Very low | 49.4 | Very low | 220 Ų | 220 | 113.4 Ų | 113.4 | 97% | 0.965 | 70% | 0.698 | S | S | * | * | trans | -158.8 | 148 | 151.1 | -101.8 | -70.2 | 0 | 0 | 0 | 113.9 | ||||
| 867 | A | 32.5 | Very low | 47.3 | Very low | 88 Ų | 88 | 111.8 Ų | 111.8 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -72.4 | 156.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 868 | S | 33 | Very low | 45.5 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -54.6 | 164.8 | 153.4 | 58 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 869 | P | 45.2 | Very low | 43.9 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | cis | -148.5 | 143.5 | 27.1 | 38 | -15.3 | 0 | 0 | 0 | 118.8 | ||||
| 870 | S | 29.3 | Very low | 43 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | 69.1 | 169.4 | 133.9 | 79.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 871 | P | 58 | Low | 42.3 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | -126.1 | -155.1 | -108.3 | 38.6 | -15.4 | 0 | 0 | 0 | 110.8 | |||||
| 872 | P | 55 | Low | 42 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | cis | -134.8 | -174.2 | -8.5 | 38 | -17.4 | 0 | 0 | 0 | 115.2 | ||||
| 873 | S | 28.7 | Very low | 42.5 | Very low | 101 Ų | 101 | 115.8 Ų | 115.8 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | 97.2 | 102.5 | 146.9 | 67.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 874 | S | 31.1 | Very low | 43.3 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | trans | 59.1 | 115.5 | 130.9 | 64.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 875 | S | 30.7 | Very low | 44.2 | Very low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | 160.9 | 158.5 | 87.4 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 876 | F | 31.7 | Very low | 45 | Very low | 178 Ų | 178 | 116.3 Ų | 116.3 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | trans | 72.3 | 94.2 | 165.3 | -74.7 | -85.8 | 0 | 0 | 0 | 118 | ||||
| 877 | T | 36.5 | Very low | 46.6 | Very low | 110 Ų | 110 | 108.6 Ų | 108.6 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | 93.6 | 129.1 | 81 | 49 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 878 | Q | 41.9 | Very low | 48.4 | Very low | 163 Ų | 163 | 109.7 Ų | 109.7 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | trans | 81.4 | 109.2 | 142 | -90.9 | -173.2 | 8.1 | 0 | 0 | 119.5 | ||||
| 879 | H | 40.6 | Very low | 50.4 | Low | 172 Ų | 172 | 110.3 Ų | 110.3 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | 172.9 | 79.1 | 110.4 | -88.3 | 0.9 | 0 | 0 | 0 | 111.1 | |||||
| 880 | G | 48.9 | Very low | 51.9 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -82.2 | 115.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P882 | G880-P882 WeakPolarHBondContact O-CD 3.37Å; G880-P882 VanDerWaalsContact O-N 3.12Å | ||
| 881 | N | 49.7 | Very low | 54.2 | Low | 106 Ų | 106 | 112.5 Ų | 112.5 | 57% | 0.567 | 64% | 0.642 | S | S | * | * | trans | -65.2 | 107.4 | -170.5 | -152.6 | -11.7 | 0 | 0 | 0 | 110.3 | G883 Q884 | N881-G883 PolarHBondContact O-N 3.08Å; N881-G883 VanDerWaalsContact O-N 3.1Å; N881-Q884 PolarHBondContact O-N 3.38Å | ||
| 882 | P | 57.5 | Low | 55.2 | Low | 91 Ų | 91 | 112 Ų | 112 | 59% | 0.591 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.1 | -24.4 | -171.5 | 23.3 | -31.7 | 0 | 0 | 0 | 112.4 | G880 Q884 Q885 V886 | G880-P882 WeakPolarHBondContact O-CD 3.37Å; G880-P882 VanDerWaalsContact O-N 3.12Å; P882-Q884 PolarHBondContact O-N 3.22Å; P882-Q885 PolarHBondContact O-N 2.79Å; P882-V886 VanDerWaalsContact O-CG2 3.3Å; P882-V886 WeakPolarHBondContact O-CG2 3.27Å; P882-V886 PolarHBondContact O-N 3.18Å; P882-V886 VanDerWaalsContact O-N 3.08Å |
| 883 | G | 61.9 | Low | 56.6 | Low | 48 Ų | 48 | 108.5 Ų | 108.5 | 50% | 0.495 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.7 | -33.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N881 A887 | N881-G883 PolarHBondContact O-N 3.08Å; N881-G883 VanDerWaalsContact O-N 3.1Å; G883-A887 WeakPolarHBondContact O-CB 3.46Å; G883-A887 PolarHBondContact O-N 2.88Å |
| 884 | Q | 60.1 | Low | 59.2 | Low | 131 Ų | 131 | 107.7 Ų | 107.7 | 61% | 0.612 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.5 | -36.1 | 178.5 | -77.4 | -179.6 | -21.4 | 0 | 0 | 112 | N881 P882 A887 L888 | N881-Q884 PolarHBondContact O-N 3.38Å; P882-Q884 PolarHBondContact O-N 3.22Å; Q884-A887 PolarHBondContact O-N 3Å; Q884-L888 WeakPolarHBondContact O-CB 3.49Å; Q884-L888 WeakPolarHBondContact O-CG 3.39Å; Q884-L888 PolarHBondContact O-N 3.48Å |
| 885 | Q | 63.1 | Low | 61.4 | Low | 131 Ų | 131 | 106.7 Ų | 106.7 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.1 | -40.2 | 176.7 | -166.5 | 171.5 | 2.9 | 0 | 0 | 111.4 | P882 Q889 | P882-Q885 PolarHBondContact O-N 2.79Å; Q885-Q889 WeakPolarHBondContact O-CB 3.44Å; Q885-Q889 WeakPolarHBondContact O-CG 3.46Å; Q885-Q889 PolarHBondContact O-N 3.3Å |
| 886 | V | 71.1 | Confident | 63.8 | Low | 74 Ų | 74 | 105.3 Ų | 105.3 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -39.1 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | P882 Q889 N890 | P882-V886 VanDerWaalsContact O-CG2 3.3Å; P882-V886 WeakPolarHBondContact O-CG2 3.27Å; P882-V886 PolarHBondContact O-N 3.18Å; P882-V886 VanDerWaalsContact O-N 3.08Å; V886-Q889 PolarHBondContact O-N 3Å; V886-N890 WeakPolarHBondContact O-CB 3.47Å; V886-N890 PolarHBondContact O-N 2.86Å |
| 887 | A | 71.2 | Confident | 66.4 | Low | 58 Ų | 58 | 102.6 Ų | 102.6 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G883 Q884 R891 | G883-A887 WeakPolarHBondContact O-CB 3.46Å; G883-A887 PolarHBondContact O-N 2.88Å; Q884-A887 PolarHBondContact O-N 3Å; A887-R891 WeakPolarHBondContact O-CB 3.38Å; A887-R891 PolarHBondContact O-N 3.02Å |
| 888 | L | 72.1 | Confident | 68.5 | Low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.9 | -41.5 | 174.7 | -75.5 | 168.8 | 0 | 0 | 0 | 111.8 | Q884 R891 I892 | Q884-L888 WeakPolarHBondContact O-CB 3.49Å; Q884-L888 WeakPolarHBondContact O-CG 3.39Å; Q884-L888 PolarHBondContact O-N 3.48Å; L888-R891 PolarHBondContact O-N 3.33Å; L888-I892 WeakPolarHBondContact O-CB 3.42Å; L888-I892 VanDerWaalsContact O-CG1 3.25Å; L888-I892 WeakPolarHBondContact O-CG1 3.35Å; L888-I892 PolarHBondContact O-N 2.91Å |
| 889 | Q | 73.9 | Confident | 70.5 | Confident | 120 Ų | 120 | 100 Ų | 100 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 174.8 | -79.7 | 179.1 | -12 | 0 | 0 | 112.3 | Q885 V886 I892 G893 | Q885-Q889 WeakPolarHBondContact O-CB 3.44Å; Q885-Q889 WeakPolarHBondContact O-CG 3.46Å; Q885-Q889 PolarHBondContact O-N 3.3Å; V886-Q889 PolarHBondContact O-N 3Å; Q889-I892 PolarHBondContact O-N 3.45Å; Q889-G893 PolarHBondContact O-N 3.09Å |
| 890 | N | 76.8 | Confident | 72.5 | Confident | 102 Ų | 102 | 96.7 Ų | 96.7 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 174.1 | -77.5 | -18.4 | 0 | 0 | 0 | 112 | V886 G893 I894 | V886-N890 WeakPolarHBondContact O-CB 3.47Å; V886-N890 PolarHBondContact O-N 2.86Å; N890-G893 PolarHBondContact O-N 3.36Å; N890-I894 WeakPolarHBondContact O-CG1 3.45Å; N890-I894 PolarHBondContact O-N 2.97Å |
| 891 | R | 77.7 | Confident | 74.1 | Confident | 161 Ų | 161 | 96 Ų | 96 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 176.6 | -168.3 | 70.1 | 175.1 | -179.6 | 1.3 | 111.7 | A887 L888 I894 L895 | A887-R891 WeakPolarHBondContact O-CB 3.38Å; A887-R891 PolarHBondContact O-N 3.02Å; L888-R891 PolarHBondContact O-N 3.33Å; R891-I894 PolarHBondContact O-N 3.43Å; R891-L895 HydrophobicContact CG-CD1 4.24Å; R891-L895 WeakPolarHBondContact O-CB 3.16Å; R891-L895 VanDerWaalsContact O-CG 3.3Å; R891-L895 WeakPolarHBondContact O-CG 3.38Å; R891-L895 PolarHBondContact O-N 3.35Å |
| 892 | I | 78 | Confident | 75.5 | Confident | 104 Ų | 104 | 99.4 Ų | 99.4 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.3 | -69.4 | 165.7 | 0 | 0 | 0 | 109.7 | L888 Q889 I894 L895 T896 | L888-I892 WeakPolarHBondContact O-CB 3.42Å; L888-I892 VanDerWaalsContact O-CG1 3.25Å; L888-I892 WeakPolarHBondContact O-CG1 3.35Å; L888-I892 PolarHBondContact O-N 2.91Å; Q889-I892 PolarHBondContact O-N 3.45Å; I892-I894 PolarHBondContact O-N 3.22Å; I892-L895 PolarHBondContact O-N 3.4Å; I892-T896 WeakPolarHBondContact O-CB 3.49Å; I892-T896 PolarHBondContact O-N 3.3Å; I892-T896 PolarHBondContact O-OG1 3.28Å |
| 893 | G | 85.1 | Confident | 76.7 | Confident | 39 Ų | 39 | 99.5 Ų | 99.5 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q889 N890 T896 Q897 | Q889-G893 PolarHBondContact O-N 3.09Å; N890-G893 PolarHBondContact O-N 3.36Å; G893-T896 PolarHBondContact O-N 3.5Å; G893-Q897 WeakPolarHBondContact O-CB 3.28Å; G893-Q897 PolarHBondContact O-N 3.09Å |
| 894 | I | 83.8 | Confident | 77.8 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.4 | -67.2 | 165.2 | 0 | 0 | 0 | 110.9 | N890 R891 I892 Q897 Q898 | N890-I894 WeakPolarHBondContact O-CG1 3.45Å; N890-I894 PolarHBondContact O-N 2.97Å; R891-I894 PolarHBondContact O-N 3.43Å; I892-I894 PolarHBondContact O-N 3.22Å; I894-Q897 PolarHBondContact O-N 3.12Å; I894-Q898 HydrophobicContact CG2-CG 4.48Å; I894-Q898 WeakPolarHBondContact O-CB 3.37Å; I894-Q898 WeakPolarHBondContact O-CG 3.21Å; I894-Q898 PolarHBondContact O-N 2.92Å |
| 895 | L | 77.8 | Confident | 78.8 | Confident | 83 Ų | 83 | 103.5 Ų | 103.5 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 179 | -73.3 | 170.3 | 0 | 0 | 0 | 111.6 | R891 I892 Q897 Q898 L899 | R891-L895 HydrophobicContact CG-CD1 4.24Å; R891-L895 WeakPolarHBondContact O-CB 3.16Å; R891-L895 VanDerWaalsContact O-CG 3.3Å; R891-L895 WeakPolarHBondContact O-CG 3.38Å; R891-L895 PolarHBondContact O-N 3.35Å; I892-L895 PolarHBondContact O-N 3.4Å; L895-Q897 VanDerWaalsContact C-N 3.34Å; L895-Q897 PolarHBondContact O-N 3.06Å; L895-Q898 PolarHBondContact O-N 2.82Å; L895-L899 WeakPolarHBondContact O-CB 3.46Å; L895-L899 PolarHBondContact O-N 3.15Å |
| 896 | T | 80.9 | Confident | 79.5 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | I892 G893 L899 Q900 | I892-T896 WeakPolarHBondContact O-CB 3.49Å; I892-T896 PolarHBondContact O-N 3.3Å; I892-T896 PolarHBondContact O-OG1 3.28Å; G893-T896 PolarHBondContact O-N 3.5Å; T896-L899 PolarHBondContact O-N 3.14Å; T896-Q900 WeakPolarHBondContact O-CG 3.45Å; T896-Q900 PolarHBondContact O-N 3.43Å |
| 897 | Q | 86.2 | Confident | 80 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 176.8 | -170.5 | 160.2 | 6.9 | 0 | 0 | 111.9 | G893 I894 L895 L899 Q900 D901 | G893-Q897 WeakPolarHBondContact O-CB 3.28Å; G893-Q897 PolarHBondContact O-N 3.09Å; I894-Q897 PolarHBondContact O-N 3.12Å; L895-Q897 VanDerWaalsContact C-N 3.34Å; L895-Q897 PolarHBondContact O-N 3.06Å; Q897-L899 VanDerWaalsContact C-N 3.3Å; Q897-L899 PolarHBondContact O-N 3.16Å; Q897-Q900 PolarHBondContact O-N 3Å; Q897-D901 PolarHBondContact O-N 3.19Å |
| 898 | Q | 80.4 | Confident | 80.4 | Confident | 97 Ų | 97 | 109.2 Ų | 109.2 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60 | -41 | 172.7 | -74.7 | 178.4 | -11.5 | 0 | 0 | 111.7 | I894 L895 D901 W902 | I894-Q898 HydrophobicContact CG2-CG 4.48Å; I894-Q898 WeakPolarHBondContact O-CB 3.37Å; I894-Q898 WeakPolarHBondContact O-CG 3.21Å; I894-Q898 PolarHBondContact O-N 2.92Å; L895-Q898 PolarHBondContact O-N 2.82Å; Q898-D901 PolarHBondContact O-N 3.22Å; Q898-W902 WeakPolarHBondContact O-CB 3.32Å; Q898-W902 PolarHBondContact O-N 2.84Å |
| 899 | L | 82.7 | Confident | 80.5 | Confident | 121 Ų | 121 | 108.2 Ų | 108.2 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -40.9 | 179.2 | -139.8 | 148.5 | 0 | 0 | 0 | 111.4 | L895 T896 Q897 W902 E903 | L895-L899 WeakPolarHBondContact O-CB 3.46Å; L895-L899 PolarHBondContact O-N 3.15Å; T896-L899 PolarHBondContact O-N 3.14Å; Q897-L899 VanDerWaalsContact C-N 3.3Å; Q897-L899 PolarHBondContact O-N 3.16Å; L899-W902 PolarHBondContact O-N 2.88Å; L899-E903 WeakPolarHBondContact O-CB 3.25Å; L899-E903 PolarHBondContact O-N 3.37Å |
| 900 | Q | 82.9 | Confident | 80.7 | Confident | 104 Ų | 104 | 105 Ų | 105 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 173.6 | -73.6 | -178.1 | -1.1 | 0 | 0 | 113 | T896 Q897 E903 R904 | T896-Q900 WeakPolarHBondContact O-CG 3.45Å; T896-Q900 PolarHBondContact O-N 3.43Å; Q897-Q900 PolarHBondContact O-N 3Å; Q900-E903 PolarHBondContact O-N 3.15Å; Q900-R904 WeakPolarHBondContact O-CB 3.3Å; Q900-R904 PolarHBondContact O-N 3.13Å |
| 901 | D | 82.8 | Confident | 80.7 | Confident | 57 Ų | 57 | 103 Ų | 103 | 31% | 0.305 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 175.6 | -72.8 | -17.2 | 0 | 0 | 0 | 111.4 | Q897 Q898 R904 K905 | Q897-D901 PolarHBondContact O-N 3.19Å; Q898-D901 PolarHBondContact O-N 3.22Å; D901-R904 PolarHBondContact O-N 2.89Å; D901-R904 IonicContact OD1-CZ 2.84Å; D901-R904 IonicContact OD1-NH1 2.87Å; D901-R904 PolarHBondContact OD1-NH1 2.97Å; D901-R904 IonicContact OD1-NH2 2.75Å; D901-R904 PolarHBondContact OD1-NH2 3.35Å; D901-K905 WeakPolarHBondContact O-CG 3.39Å; D901-K905 PolarHBondContact O-N 3.21Å |
| 902 | W | 80.2 | Confident | 80.4 | Confident | 178 Ų | 178 | 98.8 Ų | 98.8 | 67% | 0.674 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 172.5 | -85.7 | 110.8 | 0 | 0 | 0 | 112.2 | Q898 L899 K905 H906 | Q898-W902 WeakPolarHBondContact O-CB 3.32Å; Q898-W902 PolarHBondContact O-N 2.84Å; L899-W902 PolarHBondContact O-N 2.88Å; W902-K905 PolarHBondContact O-N 3.41Å; W902-H906 VanDerWaalsContact O-CB 3.29Å; W902-H906 WeakPolarHBondContact O-CB 3.38Å; W902-H906 PolarHBondContact O-N 3.43Å |
| 903 | E | 82.4 | Confident | 80 | Confident | 94 Ų | 94 | 101.6 Ų | 101.6 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 176.9 | -157.6 | -171.1 | 156.9 | 0 | 0 | 111.5 | L899 Q900 H906 K907 | L899-E903 WeakPolarHBondContact O-CB 3.25Å; L899-E903 PolarHBondContact O-N 3.37Å; Q900-E903 PolarHBondContact O-N 3.15Å; E903-H906 PolarHBondContact O-N 3.3Å; E903-K907 WeakPolarHBondContact O-CB 3.26Å; E903-K907 VanDerWaalsContact O-CG 3.3Å; E903-K907 WeakPolarHBondContact O-CG 3.41Å; E903-K907 PolarHBondContact O-N 2.82Å; E903-K907 VanDerWaalsContact OE1-CE 3.29Å; E903-K907 WeakPolarHBondContact OE1-CE 3.46Å; E903-K907 IonicContact OE1-NZ 3.17Å; E903-K907 PolarHBondContact OE1-NZ 3.23Å |
| 904 | R | 84.2 | Confident | 79.6 | Confident | 140 Ų | 140 | 108.2 Ų | 108.2 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -48 | 172.1 | -92.5 | -175.2 | -93.7 | 111.7 | 5.8 | 111.8 | Q900 D901 H906 K907 Q908 | Q900-R904 WeakPolarHBondContact O-CB 3.3Å; Q900-R904 PolarHBondContact O-N 3.13Å; D901-R904 PolarHBondContact O-N 2.89Å; D901-R904 IonicContact OD1-CZ 2.84Å; D901-R904 IonicContact OD1-NH1 2.87Å; D901-R904 PolarHBondContact OD1-NH1 2.97Å; D901-R904 IonicContact OD1-NH2 2.75Å; D901-R904 PolarHBondContact OD1-NH2 3.35Å; R904-H906 VanDerWaalsContact C-N 3.34Å; R904-H906 PolarHBondContact O-N 3.38Å; R904-K907 PolarHBondContact O-N 3.17Å; R904-Q908 WeakPolarHBondContact O-CB 3.25Å; R904-Q908 PolarHBondContact O-N 2.93Å |
| 905 | K | 80.6 | Confident | 79 | Confident | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 176.2 | -74.8 | 175.9 | -178.6 | 178.7 | 0 | 111.7 | D901 W902 Q908 V909 | D901-K905 WeakPolarHBondContact O-CG 3.39Å; D901-K905 PolarHBondContact O-N 3.21Å; W902-K905 PolarHBondContact O-N 3.41Å; K905-Q908 WeakPolarHBondContact O-CB 3.36Å; K905-Q908 PolarHBondContact O-N 3.48Å; K905-V909 WeakPolarHBondContact O-CG2 3.33Å; K905-V909 PolarHBondContact O-N 2.83Å |
| 906 | H | 78.8 | Confident | 78.4 | Confident | 122 Ų | 122 | 105.6 Ų | 105.6 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 178.6 | -172.5 | 68.4 | 0 | 0 | 0 | 111.8 | W902 E903 R904 Q908 V909 V910 | W902-H906 VanDerWaalsContact O-CB 3.29Å; W902-H906 WeakPolarHBondContact O-CB 3.38Å; W902-H906 PolarHBondContact O-N 3.43Å; E903-H906 PolarHBondContact O-N 3.3Å; R904-H906 VanDerWaalsContact C-N 3.34Å; R904-H906 PolarHBondContact O-N 3.38Å; H906-Q908 VanDerWaalsContact C-N 3.25Å; H906-Q908 PolarHBondContact O-N 3.06Å; H906-V909 PolarHBondContact O-N 2.87Å; H906-V910 VanDerWaalsContact O-CG2 3.29Å; H906-V910 WeakPolarHBondContact O-CG2 3.45Å; H906-V910 PolarHBondContact O-N 2.84Å |
| 907 | K | 80.5 | Confident | 77.7 | Confident | 125 Ų | 125 | 107 Ų | 107 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 173.8 | -76.5 | 173.6 | -175.7 | 165.4 | 0 | 112.2 | E903 R904 A911 | E903-K907 WeakPolarHBondContact O-CB 3.26Å; E903-K907 VanDerWaalsContact O-CG 3.3Å; E903-K907 WeakPolarHBondContact O-CG 3.41Å; E903-K907 PolarHBondContact O-N 2.82Å; E903-K907 VanDerWaalsContact OE1-CE 3.29Å; E903-K907 WeakPolarHBondContact OE1-CE 3.46Å; E903-K907 IonicContact OE1-NZ 3.17Å; E903-K907 PolarHBondContact OE1-NZ 3.23Å; R904-K907 PolarHBondContact O-N 3.17Å; K907-A911 WeakPolarHBondContact O-CB 3.46Å; K907-A911 PolarHBondContact O-N 2.84Å |
| 908 | Q | 79.6 | Confident | 76.8 | Confident | 135 Ų | 135 | 106.3 Ų | 106.3 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.2 | -44.2 | 177.8 | -151.3 | 167 | 14 | 0 | 0 | 111.6 | R904 K905 H906 A911 V912 | R904-Q908 WeakPolarHBondContact O-CB 3.25Å; R904-Q908 PolarHBondContact O-N 2.93Å; K905-Q908 WeakPolarHBondContact O-CB 3.36Å; K905-Q908 PolarHBondContact O-N 3.48Å; H906-Q908 VanDerWaalsContact C-N 3.25Å; H906-Q908 PolarHBondContact O-N 3.06Å; Q908-A911 PolarHBondContact O-N 2.93Å; Q908-V912 WeakPolarHBondContact O-CG2 3.49Å; Q908-V912 PolarHBondContact O-N 3.48Å |
| 909 | V | 75.5 | Confident | 75.9 | Confident | 92 Ų | 92 | 102.4 Ų | 102.4 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 174.3 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | K905 H906 A911 V912 Y913 | K905-V909 WeakPolarHBondContact O-CG2 3.33Å; K905-V909 PolarHBondContact O-N 2.83Å; H906-V909 PolarHBondContact O-N 2.87Å; V909-A911 VanDerWaalsContact C-N 3.32Å; V909-A911 PolarHBondContact O-N 3.33Å; V909-V912 PolarHBondContact O-N 3.06Å; V909-Y913 WeakPolarHBondContact O-CB 3.46Å; V909-Y913 PolarHBondContact O-N 3.25Å |
| 910 | V | 77.8 | Confident | 74.8 | Confident | 52 Ų | 52 | 99.9 Ų | 99.9 | 32% | 0.315 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | H906 Y913 R914 | H906-V910 VanDerWaalsContact O-CG2 3.29Å; H906-V910 WeakPolarHBondContact O-CG2 3.45Å; H906-V910 PolarHBondContact O-N 2.84Å; V910-Y913 PolarHBondContact O-N 3.37Å; V910-R914 WeakPolarHBondContact O-CB 3.37Å; V910-R914 WeakPolarHBondContact O-CG 3.46Å; V910-R914 PolarHBondContact O-N 2.85Å |
| 911 | A | 76.9 | Confident | 73.7 | Confident | 59 Ų | 59 | 100.7 Ų | 100.7 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | K907 Q908 V909 R914 S915 | K907-A911 WeakPolarHBondContact O-CB 3.46Å; K907-A911 PolarHBondContact O-N 2.84Å; Q908-A911 PolarHBondContact O-N 2.93Å; V909-A911 VanDerWaalsContact C-N 3.32Å; V909-A911 PolarHBondContact O-N 3.33Å; A911-R914 PolarHBondContact O-N 2.93Å; A911-S915 PolarHBondContact O-N 3.44Å |
| 912 | V | 71.3 | Confident | 72.7 | Confident | 73 Ų | 73 | 104.5 Ų | 104.5 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 110 | Q908 V909 R914 S915 H916 | Q908-V912 WeakPolarHBondContact O-CG2 3.49Å; Q908-V912 PolarHBondContact O-N 3.48Å; V909-V912 PolarHBondContact O-N 3.06Å; V912-R914 VanDerWaalsContact C-N 3.34Å; V912-R914 PolarHBondContact O-N 3.41Å; V912-S915 PolarHBondContact O-N 3.45Å; V912-S915 VanDerWaalsContact O-N 3.12Å; V912-S915 PolarHBondContact O-OG 2.91Å; V912-H916 PolarHBondContact O-N 2.93Å; V912-H916 PolarHBondContact O-ND1 2.97Å |
| 913 | Y | 70.4 | Confident | 71.8 | Confident | 163 Ų | 163 | 99.3 Ų | 99.3 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 179.5 | -142.4 | -94.8 | 0 | 0 | 0 | 112.8 | V909 V910 H916 L917 | V909-Y913 WeakPolarHBondContact O-CB 3.46Å; V909-Y913 PolarHBondContact O-N 3.25Å; V910-Y913 PolarHBondContact O-N 3.37Å; Y913-H916 PolarHBondContact O-N 2.85Å; Y913-L917 HydrophobicContact CD1-CD1 3.67Å; Y913-L917 HydrophobicContact CE1-CD1 3.71Å; Y913-L917 WeakPolarHBondContact O-CB 3.19Å; Y913-L917 PolarHBondContact O-N 2.86Å |
| 914 | R | 76 | Confident | 70.6 | Confident | 178 Ų | 178 | 103.7 Ų | 103.7 | 67% | 0.672 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 173.9 | -83.9 | -179.6 | 171 | 163.5 | -1.7 | 112.7 | V910 A911 V912 L917 L918 | V910-R914 WeakPolarHBondContact O-CB 3.37Å; V910-R914 WeakPolarHBondContact O-CG 3.46Å; V910-R914 PolarHBondContact O-N 2.85Å; A911-R914 PolarHBondContact O-N 2.93Å; V912-R914 VanDerWaalsContact C-N 3.34Å; V912-R914 PolarHBondContact O-N 3.41Å; R914-L917 PolarHBondContact O-N 3.04Å; R914-L918 WeakPolarHBondContact O-CB 3.34Å; R914-L918 WeakPolarHBondContact O-CG 3.48Å; R914-L918 PolarHBondContact O-N 2.96Å |
| 915 | S | 70.3 | Confident | 69.5 | Low | 59 Ų | 59 | 103 Ų | 103 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | A911 V912 L918 A919 | A911-S915 PolarHBondContact O-N 3.44Å; V912-S915 PolarHBondContact O-N 3.45Å; V912-S915 VanDerWaalsContact O-N 3.12Å; V912-S915 PolarHBondContact O-OG 2.91Å; S915-L918 PolarHBondContact O-N 3.33Å; S915-A919 WeakPolarHBondContact O-CB 3.17Å; S915-A919 PolarHBondContact O-N 3.06Å |
| 916 | H | 67 | Low | 68.7 | Low | 54 Ų | 54 | 100.9 Ų | 100.9 | 25% | 0.25 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 178.7 | -74.5 | 46.1 | 0 | 0 | 0 | 112 | V912 Y913 A919 A920 V929 | V912-H916 PolarHBondContact O-N 2.93Å; V912-H916 PolarHBondContact O-ND1 2.97Å; Y913-H916 PolarHBondContact O-N 2.85Å; H916-A919 PolarHBondContact O-N 3.28Å; H916-A920 WeakPolarHBondContact O-CB 3.32Å; H916-A920 PolarHBondContact O-N 3.19Å; H916-V929 VanDerWaalsContact CD2-CG2 3.49Å; H916-V929 WeakPolarHBondContact CD2-CG2 3.49Å |
| 917 | L | 65.9 | Low | 67.9 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 174 | -114.8 | 119.5 | 0 | 0 | 0 | 112.1 | Y913 R914 A920 V921 | Y913-L917 HydrophobicContact CD1-CD1 3.67Å; Y913-L917 HydrophobicContact CE1-CD1 3.71Å; Y913-L917 WeakPolarHBondContact O-CB 3.19Å; Y913-L917 PolarHBondContact O-N 2.86Å; R914-L917 PolarHBondContact O-N 3.04Å; L917-A920 PolarHBondContact O-N 3.41Å; L917-V921 VanDerWaalsContact O-CG2 3.26Å; L917-V921 WeakPolarHBondContact O-CG2 3.34Å; L917-V921 PolarHBondContact O-N 3.49Å |
| 918 | L | 67.4 | Low | 66.8 | Low | 104 Ų | 104 | 103.5 Ų | 103.5 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 176.3 | -82.5 | 162.7 | 0 | 0 | 0 | 112.1 | R914 S915 V921 Q922 | R914-L918 WeakPolarHBondContact O-CB 3.34Å; R914-L918 WeakPolarHBondContact O-CG 3.48Å; R914-L918 PolarHBondContact O-N 2.96Å; S915-L918 PolarHBondContact O-N 3.33Å; L918-V921 PolarHBondContact O-N 3.05Å; L918-Q922 WeakPolarHBondContact O-CB 3.33Å; L918-Q922 VanDerWaalsContact O-CG 3.25Å; L918-Q922 WeakPolarHBondContact O-CG 3.31Å; L918-Q922 PolarHBondContact O-N 3.24Å |
| 919 | A | 61.3 | Low | 66.1 | Low | 15 Ų | 15 | 99.2 Ų | 99.2 | 12% | 0.124 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S915 H916 Q922 G923 R924 | S915-A919 WeakPolarHBondContact O-CB 3.17Å; S915-A919 PolarHBondContact O-N 3.06Å; H916-A919 PolarHBondContact O-N 3.28Å; A919-Q922 CarbonylContact O-C 3.59Å; A919-Q922 PolarHBondContact O-N 2.97Å; A919-G923 PolarHBondContact O-N 3.18Å; A919-R924 CarbonylContact C-O 3.58Å; A919-R924 PolarHBondContact O-N 3.39Å; A919-R924 VanDerWaalsContact O-N 3.16Å |
| 920 | A | 59.6 | Low | 65.5 | Low | 68 Ų | 68 | 99.2 Ų | 99.2 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H916 L917 Q922 G923 | H916-A920 WeakPolarHBondContact O-CB 3.32Å; H916-A920 PolarHBondContact O-N 3.19Å; L917-A920 PolarHBondContact O-N 3.41Å; A920-Q922 PolarHBondContact O-N 3.42Å; A920-G923 PolarHBondContact O-N 2.96Å; A920-G923 VanDerWaalsContact O-N 3.17Å |
| 921 | V | 59.5 | Low | 64.8 | Low | 121 Ų | 121 | 100.5 Ų | 100.5 | 73% | 0.733 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.3 | -26.4 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | L917 L918 G923 | L917-V921 VanDerWaalsContact O-CG2 3.26Å; L917-V921 WeakPolarHBondContact O-CG2 3.34Å; L917-V921 PolarHBondContact O-N 3.49Å; L918-V921 PolarHBondContact O-N 3.05Å; V921-G923 VanDerWaalsContact C-N 3.33Å |
| 922 | Q | 61.8 | Low | 64 | Low | 137 Ų | 137 | 102.7 Ų | 102.7 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 3.4 | 175.7 | -69.9 | 176.5 | 4.2 | 0 | 0 | 113.8 | L918 A919 A920 R924 | L918-Q922 WeakPolarHBondContact O-CB 3.33Å; L918-Q922 VanDerWaalsContact O-CG 3.25Å; L918-Q922 WeakPolarHBondContact O-CG 3.31Å; L918-Q922 PolarHBondContact O-N 3.24Å; A919-Q922 CarbonylContact O-C 3.59Å; A919-Q922 PolarHBondContact O-N 2.97Å; A920-Q922 PolarHBondContact O-N 3.42Å; Q922-R924 VanDerWaalsContact C-N 3.29Å; Q922-R924 PolarHBondContact O-N 2.95Å |
| 923 | G | 60.1 | Low | 63.6 | Low | 70 Ų | 70 | 103.5 Ų | 103.5 | 72% | 0.722 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 16.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | A919 A920 V921 | A919-G923 PolarHBondContact O-N 3.18Å; A920-G923 PolarHBondContact O-N 2.96Å; A920-G923 VanDerWaalsContact O-N 3.17Å; V921-G923 VanDerWaalsContact C-N 3.33Å |
| 924 | R | 58.5 | Low | 63.4 | Low | 186 Ų | 186 | 100.2 Ų | 100.2 | 70% | 0.702 | 53% | 0.528 | S | S | * | . | trans | -108.7 | 104.8 | 173.5 | -60.4 | -174.5 | -168 | 177.9 | 3.7 | 108.1 | A919 Q922 D926 | A919-R924 CarbonylContact C-O 3.58Å; A919-R924 PolarHBondContact O-N 3.39Å; A919-R924 VanDerWaalsContact O-N 3.16Å; Q922-R924 VanDerWaalsContact C-N 3.29Å; Q922-R924 PolarHBondContact O-N 2.95Å; R924-D926 PolarHBondContact O-N 3.48Å | ||
| 925 | M | 61.4 | Low | 62.9 | Low | 124 Ų | 124 | 97.8 Ų | 97.8 | 61% | 0.611 | 53% | 0.525 | S | S | * | . | trans | -77.8 | 117.4 | 168.2 | -88.5 | -146.5 | -65.9 | 0 | 0 | 108.9 | Q930 | M925-Q930 HydrophobicContact CE-CG 4.33Š| ||
| 926 | D | 63.9 | Low | 62.7 | Low | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 53% | 0.531 | S | S | . | . | trans | -71.8 | 147.6 | 175.5 | -72.6 | -32.9 | 0 | 0 | 0 | 111.8 | R924 E928 V929 Q930 | R924-D926 PolarHBondContact O-N 3.48Å; D926-E928 PolarHBondContact O-N 2.9Å; D926-E928 VanDerWaalsContact O-N 3.17Å; D926-V929 WeakPolarHBondContact O-CB 3.22Å; D926-V929 PolarHBondContact O-N 3.43Å; D926-Q930 PolarHBondContact O-N 2.89Å | ||
| 927 | E | 61.9 | Low | 62.6 | Low | 162 Ų | 162 | 102.1 Ų | 102.1 | 76% | 0.757 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.1 | -31.8 | -179.1 | -72.6 | -178.2 | 160.6 | 0 | 0 | 112.8 | V929 Q930 C931 | E927-V929 VanDerWaalsContact C-N 3.32Å; E927-V929 PolarHBondContact O-N 2.93Å; E927-Q930 PolarHBondContact O-N 3.45Å; E927-C931 WeakPolarHBondContact O-CB 3.32Å; E927-C931 PolarHBondContact O-N 3.4Å; E927-C931 PolarHBondContact O-SG 3.42Å; E927-C931 VanDerWaalsContact O-SG 3.38Å |
| 928 | E | 57.7 | Low | 62.5 | Low | 139 Ų | 139 | 105.5 Ų | 105.5 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.3 | -34.8 | 178 | -62.9 | -171.1 | 170.8 | 0 | 0 | 112.5 | D926 C931 L932 | D926-E928 PolarHBondContact O-N 2.9Å; D926-E928 VanDerWaalsContact O-N 3.17Å; E928-C931 PolarHBondContact O-N 2.89Å; E928-L932 PolarHBondContact O-N 3.41Å |
| 929 | V | 63.2 | Low | 62.3 | Low | 45 Ų | 45 | 107.1 Ų | 107.1 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.2 | -38.2 | 177 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | H916 D926 E927 L932 L933 | H916-V929 VanDerWaalsContact CD2-CG2 3.49Å; H916-V929 WeakPolarHBondContact CD2-CG2 3.49Å; D926-V929 WeakPolarHBondContact O-CB 3.22Å; D926-V929 PolarHBondContact O-N 3.43Å; E927-V929 VanDerWaalsContact C-N 3.32Å; E927-V929 PolarHBondContact O-N 2.93Å; V929-L932 PolarHBondContact O-N 3.33Å; V929-L933 HydrophobicContact CG1-CD1 4.13Å; V929-L933 WeakPolarHBondContact O-CB 3.25Å; V929-L933 PolarHBondContact O-N 3.06Å |
| 930 | Q | 63.8 | Low | 62.1 | Low | 92 Ų | 92 | 109.7 Ų | 109.7 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -41.1 | 173.3 | -69.5 | -175.3 | -8.2 | 0 | 0 | 111.7 | M925 D926 E927 L933 L934 | M925-Q930 HydrophobicContact CE-CG 4.33Å; D926-Q930 PolarHBondContact O-N 2.89Å; E927-Q930 PolarHBondContact O-N 3.45Å; Q930-L933 PolarHBondContact O-N 2.95Å; Q930-L934 VanDerWaalsContact O-CB 3.31Å; Q930-L934 WeakPolarHBondContact O-CB 3.28Å; Q930-L934 WeakPolarHBondContact O-CG 3.21Å; Q930-L934 PolarHBondContact O-N 3.25Å |
| 931 | C | 63 | Low | 61.9 | Low | 79 Ų | 79 | 113.7 Ų | 113.7 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.1 | -41 | 175.4 | -75.2 | 0 | 0 | 0 | 0 | 112.4 | E927 E928 L934 Q935 | E927-C931 WeakPolarHBondContact O-CB 3.32Å; E927-C931 PolarHBondContact O-N 3.4Å; E927-C931 PolarHBondContact O-SG 3.42Å; E927-C931 VanDerWaalsContact O-SG 3.38Å; E928-C931 PolarHBondContact O-N 2.89Å; C931-L934 PolarHBondContact O-N 3.48Å; C931-Q935 WeakPolarHBondContact O-CB 3.37Å; C931-Q935 PolarHBondContact O-N 2.9Å |
| 932 | L | 60.7 | Low | 61.4 | Low | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66 | -43.2 | 176.2 | -106.2 | 146.8 | 0 | 0 | 0 | 112.4 | E928 V929 Q935 I936 | E928-L932 PolarHBondContact O-N 3.41Å; V929-L932 PolarHBondContact O-N 3.33Å; L932-Q935 PolarHBondContact O-N 3.05Å; L932-I936 VanDerWaalsContact O-CG1 3.32Å; L932-I936 WeakPolarHBondContact O-CG1 3.44Å; L932-I936 PolarHBondContact O-N 2.97Å |
| 933 | L | 63.4 | Low | 60.9 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 174 | -87.4 | 157.1 | 0 | 0 | 0 | 112 | V929 Q930 Q935 I936 L937 | V929-L933 HydrophobicContact CG1-CD1 4.13Å; V929-L933 WeakPolarHBondContact O-CB 3.25Å; V929-L933 PolarHBondContact O-N 3.06Å; Q930-L933 PolarHBondContact O-N 2.95Å; L933-Q935 VanDerWaalsContact C-N 3.32Å; L933-Q935 PolarHBondContact O-N 3.44Å; L933-I936 PolarHBondContact O-N 2.98Å; L933-L937 WeakPolarHBondContact O-CB 3.18Å; L933-L937 WeakPolarHBondContact O-CG 3.24Å; L933-L937 PolarHBondContact O-N 3.38Å |
| 934 | L | 65.6 | Low | 60.2 | Low | 93 Ų | 93 | 120.7 Ų | 120.7 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.5 | -35.8 | 174.3 | -85 | 162.6 | 0 | 0 | 0 | 112.5 | Q930 C931 R938 | Q930-L934 VanDerWaalsContact O-CB 3.31Å; Q930-L934 WeakPolarHBondContact O-CB 3.28Å; Q930-L934 WeakPolarHBondContact O-CG 3.21Å; Q930-L934 PolarHBondContact O-N 3.25Å; C931-L934 PolarHBondContact O-N 3.48Å; L934-R938 WeakPolarHBondContact O-CG 3.2Å; L934-R938 PolarHBondContact O-N 3.13Å |
| 935 | Q | 66 | Low | 60.2 | Low | 128 Ų | 128 | 117.5 Ų | 117.5 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.8 | -39 | 177.3 | -171.8 | 158.7 | -16.1 | 0 | 0 | 111.7 | C931 L932 L933 R938 M939 | C931-Q935 WeakPolarHBondContact O-CB 3.37Å; C931-Q935 PolarHBondContact O-N 2.9Å; L932-Q935 PolarHBondContact O-N 3.05Å; L933-Q935 VanDerWaalsContact C-N 3.32Å; L933-Q935 PolarHBondContact O-N 3.44Å; Q935-R938 PolarHBondContact O-N 3.23Å; Q935-M939 WeakPolarHBondContact O-CG 3.44Å; Q935-M939 PolarHBondContact O-N 3.42Å |
| 936 | I | 65.4 | Low | 60.2 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 54% | 0.544 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.8 | -42.6 | 173.4 | -67.4 | 165.9 | 0 | 0 | 0 | 110.7 | L932 L933 R938 M939 S940 | L932-I936 VanDerWaalsContact O-CG1 3.32Å; L932-I936 WeakPolarHBondContact O-CG1 3.44Å; L932-I936 PolarHBondContact O-N 2.97Å; L933-I936 PolarHBondContact O-N 2.98Å; I936-R938 PolarHBondContact O-N 2.79Å; I936-M939 PolarHBondContact O-N 3.41Å; I936-S940 PolarHBondContact O-N 2.89Å |
| 937 | L | 64.8 | Low | 60 | Low | 97 Ų | 97 | 119.2 Ų | 119.2 | 51% | 0.508 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.7 | -35.3 | 176.5 | -77.8 | 165 | 0 | 0 | 0 | 113.2 | L933 S940 Q941 | L933-L937 WeakPolarHBondContact O-CB 3.18Å; L933-L937 WeakPolarHBondContact O-CG 3.24Å; L933-L937 PolarHBondContact O-N 3.38Å; L937-S940 PolarHBondContact O-N 3.35Å; L937-S940 PolarHBondContact O-OG 3.46Å; L937-Q941 PolarHBondContact O-N 2.75Å |
| 938 | R | 63.3 | Low | 59.9 | Low | 173 Ų | 173 | 116.6 Ų | 116.6 | 65% | 0.653 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.3 | -38.9 | 172.4 | -80.7 | -175.2 | -158.7 | 169.9 | 7.6 | 112.2 | L934 Q935 I936 S940 Q941 Q942 | L934-R938 WeakPolarHBondContact O-CG 3.2Å; L934-R938 PolarHBondContact O-N 3.13Å; Q935-R938 PolarHBondContact O-N 3.23Å; I936-R938 PolarHBondContact O-N 2.79Å; R938-S940 VanDerWaalsContact C-N 3.31Å; R938-Q941 PolarHBondContact O-N 3.38Å; R938-Q942 PolarHBondContact O-N 3.47Å |
| 939 | M | 64.5 | Low | 60 | Low | 138 Ų | 138 | 115.3 Ų | 115.3 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.1 | -33.1 | 176.6 | -73.5 | -170.8 | 67.8 | 0 | 0 | 112.2 | Q935 I936 | Q935-M939 WeakPolarHBondContact O-CG 3.44Å; Q935-M939 PolarHBondContact O-N 3.42Å; I936-M939 PolarHBondContact O-N 3.41Å |
| 940 | S | 55.8 | Low | 59.8 | Low | 69 Ų | 69 | 119.9 Ų | 119.9 | 48% | 0.483 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.8 | -27 | 175.3 | 67 | 0 | 0 | 0 | 0 | 113.6 | I936 L937 R938 | I936-S940 PolarHBondContact O-N 2.89Å; L937-S940 PolarHBondContact O-N 3.35Å; L937-S940 PolarHBondContact O-OG 3.46Å; R938-S940 VanDerWaalsContact C-N 3.31Å |
| 941 | Q | 55.2 | Low | 59.5 | Low | 152 Ų | 152 | 121.9 Ų | 121.9 | 71% | 0.71 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81 | -21.1 | 177.5 | -78 | -176.8 | -0.5 | 0 | 0 | 114.3 | L937 R938 G943 | L937-Q941 PolarHBondContact O-N 2.75Å; R938-Q941 PolarHBondContact O-N 3.38Å; Q941-G943 VanDerWaalsContact C-N 3.31Å |
| 942 | Q | 50.3 | Low | 59.2 | Low | 171 Ų | 171 | 125.2 Ų | 125.2 | 80% | 0.799 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 3.4 | 176.4 | -71.5 | -176.4 | -21.1 | 0 | 0 | 113.7 | R938 | R938-Q942 PolarHBondContact O-N 3.47Š|
| 943 | G | 51.6 | Low | 59.1 | Low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 19.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q941 | Q941-G943 VanDerWaalsContact C-N 3.31Š|
| 944 | H | 43.3 | Very low | 58.7 | Low | 241 Ų | 241 | 130.2 Ų | 130.2 | 100% | 1.116 | 66% | 0.658 | S | S | * | * | trans | -114.5 | 0 | 172 | -81 | -54.7 | 0 | 0 | 0 | 111.6 |
Retrieved 944 of 944 residues in 1092.4 ms
(Link to these results)