| 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 | 43.9 | Very low | 40.8 | Very low | 241 Ų | 241 | 145 Ų | 145 | 100% | 1.187 | 84% | 0.837 | S | S | * | * | 0 | 121.3 | 0 | -65.9 | 164.8 | 76.2 | 0 | 0 | 106.2 | |||||
| 2 | S | 34.9 | Very low | 41 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -139.1 | 120.1 | -174.6 | -51.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | A | 39 | Very low | 40.6 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -82.9 | 130 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | A | 40.9 | Very low | 41 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -76.8 | 137.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | H6 | A4-H6 PolarHBondContact O-N 2.66Š| ||
| 5 | T | 40.5 | Very low | 40.9 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -70.6 | 110.6 | 175.6 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | S7 | T5-S7 PolarHBondContact O-N 2.76Š| ||
| 6 | H | 40.2 | Very low | 41.4 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -88.3 | 98.4 | 176.2 | -179.7 | -81.2 | 0 | 0 | 0 | 110.8 | A4 | A4-H6 PolarHBondContact O-N 2.66Š| ||
| 7 | S | 39 | Very low | 42 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -62.6 | 123.8 | 172.8 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | T5 M9 | T5-S7 PolarHBondContact O-N 2.76Å; S7-M9 PolarHBondContact O-N 3.27Å | ||
| 8 | P | 41.6 | Very low | 42.8 | Very low | 89 Ų | 89 | 128 Ų | 128 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | trans | -69.4 | 117.2 | 173.2 | 28.4 | -32.7 | 0 | 0 | 0 | 109.4 | M10 | P8-M10 HydrophobicContact CB-CE 4.31Å; P8-M10 HydrophobicContact CB-SD 4.47Å; P8-M10 HydrophobicContact CG-CE 3.98Å; P8-M10 PolarHBondContact O-N 2.93Å | ||
| 9 | M | 43.9 | Very low | 43.6 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 93.7 | 173.6 | -166.8 | 171.3 | -162 | 0 | 0 | 108.6 | S7 Q11 | S7-M9 PolarHBondContact O-N 3.27Å; M9-Q11 PolarHBondContact O-N 3.37Å | ||
| 10 | M | 46.9 | Very low | 45 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -63.7 | 103.2 | -177.8 | -66 | -58.4 | -169.8 | 0 | 0 | 110 | P8 V12 | P8-M10 HydrophobicContact CB-CE 4.31Å; P8-M10 HydrophobicContact CB-SD 4.47Å; P8-M10 HydrophobicContact CG-CE 3.98Å; P8-M10 PolarHBondContact O-N 2.93Å; M10-V12 PolarHBondContact O-N 3.34Å | ||
| 11 | Q | 38.5 | Very low | 46.6 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -66.9 | 101.5 | -175.1 | -174.6 | 174.3 | 10.8 | 0 | 0 | 109.8 | M9 A13 | M9-Q11 PolarHBondContact O-N 3.37Å; Q11-A13 PolarHBondContact O-N 2.79Å | ||
| 12 | V | 42.9 | Very low | 48.5 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -61.1 | 109.2 | 177.7 | -72.9 | 0 | 0 | 0 | 0 | 110.2 | M10 S14 | M10-V12 PolarHBondContact O-N 3.34Å; V12-S14 PolarHBondContact O-N 2.6Å | ||
| 13 | A | 35.2 | Very low | 50.9 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | trans | -72.2 | 95.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q11 G15 | Q11-A13 PolarHBondContact O-N 2.79Å; A13-G15 VanDerWaalsContact C-N 3.25Å; A13-G15 PolarHBondContact O-N 3.09Å | ||
| 14 | S | 46.6 | Very low | 53.1 | Low | 102 Ų | 102 | 118.1 Ų | 118.1 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | -66.4 | 79.6 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 112 | V12 N16 | V12-S14 PolarHBondContact O-N 2.6Å; S14-N16 PolarHBondContact O-N 3.09Å | ||
| 15 | G | 40.3 | Very low | 55.3 | Low | 73 Ų | 73 | 115 Ų | 115 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | trans | -73.9 | 55.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A13 G17 | A13-G15 VanDerWaalsContact C-N 3.25Å; A13-G15 PolarHBondContact O-N 3.09Å; G15-G17 PolarHBondContact O-N 3.44Å | ||
| 16 | N | 47.7 | Very low | 57.8 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 47.4 | 1 | 163.9 | -73.6 | -27.7 | 0 | 0 | 0 | 120.9 | S14 | S14-N16 PolarHBondContact O-N 3.09Š|
| 17 | G | 52.8 | Low | 60.3 | Low | 29 Ų | 29 | 106.8 Ų | 106.8 | 30% | 0.299 | 62% | 0.621 | S | S | . | * | trans | -83.5 | -29.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G15 R19 R53 | G15-G17 PolarHBondContact O-N 3.44Å; G17-R19 PolarHBondContact O-N 3.31Å; G17-R53 PolarHBondContact O-NH1 3.48Å; G17-R53 PolarHBondContact O-NH2 3.06Å | ||
| 18 | D | 55.5 | Low | 62.8 | Low | 145 Ų | 145 | 104.4 Ų | 104.4 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 7.4 | -177.6 | -85.2 | -65.5 | 0 | 0 | 0 | 115.4 | ||
| 19 | R | 58.1 | Low | 65.2 | Low | 214 Ų | 214 | 104.1 Ų | 104.1 | 81% | 0.808 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -23.1 | -173.7 | -52.9 | -153.3 | 75.7 | -149.3 | -0.2 | 114.4 | G17 | G17-R19 PolarHBondContact O-N 3.31Š|
| 20 | D | 71.9 | Confident | 67.5 | Low | 112 Ų | 112 | 100.8 Ų | 100.8 | 60% | 0.599 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -93.5 | 127.8 | 173.2 | -68.9 | -52.9 | 0 | 0 | 0 | 109.8 | L22 R53 | D20-L22 PolarHBondContact O-N 3.18Å; D20-R53 PolarHBondContact O-NH1 3.44Å |
| 21 | P | 77.9 | Confident | 69.6 | Low | 116 Ų | 116 | 94.8 Ų | 94.8 | 75% | 0.753 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 138.1 | -178.5 | 26.4 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 22 | L | 84.1 | Confident | 71.9 | Confident | 42 Ų | 42 | 92.1 Ų | 92.1 | 22% | 0.22 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 151.7 | 169.6 | -68.6 | 165.7 | 0 | 0 | 0 | 110.6 | D20 W26 I28 F39 P52 | D20-L22 PolarHBondContact O-N 3.18Å; L22-W26 HydrophobicContact CB-CB 3.97Å; L22-W26 WeakPolarHBondContact CD1-O 3.23Å; L22-I28 HydrophobicContact CD1-CB 4.3Å; L22-I28 HydrophobicContact CD1-CD1 3.92Å; L22-I28 HydrophobicContact CD1-CG1 3.75Å; L22-I28 HydrophobicContact CD2-CD1 3.96Å; L22-I28 HydrophobicContact CD2-CG1 4.03Å; L22-I28 HydrophobicContact CG-CD1 4.19Å; L22-I28 HydrophobicContact CG-CG1 4.39Å; L22-F39 HydrophobicContact CD2-CD1 3.97Å; L22-F39 HydrophobicContact CD2-CE1 4.17Å; L22-P52 HydrophobicContact CD2-CG 4.12Å |
| 23 | P | 85.4 | Confident | 73.7 | Confident | 46 Ų | 46 | 94.7 Ų | 94.7 | 30% | 0.299 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 151.9 | 173.5 | -22.7 | 34.4 | 0 | 0 | 0 | 111.6 | G25 W26 P52 | P23-G25 PolarHBondContact O-N 3.34Å; P23-W26 HydrophobicContact CB-CG 4.42Å; P23-W26 WeakPolarHBondContact O-CB 3.42Å; P23-W26 PolarHBondContact O-N 3.29Å; P23-P52 HydrophobicContact CG-CB 4.14Å; P23-P52 HydrophobicContact CG-CG 4.28Å |
| 24 | P | 84.4 | Confident | 76.4 | Confident | 117 Ų | 117 | 93.5 Ų | 93.5 | 76% | 0.76 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 127.7 | -177.2 | -28.7 | 36.1 | 0 | 0 | 0 | 113 | N43 | P24-N43 PolarHBondContact O-ND2 3.39Š|
| 25 | G | 87.7 | Confident | 78.5 | Confident | 33 Ų | 33 | 91 Ų | 91 | 34% | 0.34 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P23 H42 | P23-G25 PolarHBondContact O-N 3.34Å; G25-H42 VanDerWaalsContact O-CB 3.25Å; G25-H42 WeakPolarHBondContact O-CB 3.46Å; G25-H42 PolarHBondContact O-N 2.81Å; G25-H42 PolarHBondContact O-ND1 3.05Å |
| 26 | W | 93.1 | Very high | 80.9 | Confident | 64 Ų | 64 | 96.1 Ų | 96.1 | 24% | 0.242 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 138.8 | 175.3 | -70.8 | 72.8 | 0 | 0 | 0 | 112.7 | L22 P23 F39 V40 D41 T48 P52 | L22-W26 HydrophobicContact CB-CB 3.97Å; L22-W26 WeakPolarHBondContact CD1-O 3.23Å; P23-W26 HydrophobicContact CB-CG 4.42Å; P23-W26 WeakPolarHBondContact O-CB 3.42Å; P23-W26 PolarHBondContact O-N 3.29Å; W26-F39 HydrophobicContact CE3-CB 3.9Å; W26-F39 HydrophobicContact CZ3-CB 3.9Å; W26-V40 CarbonylContact C-O 3.55Å; W26-V40 VanDerWaalsContact CA-O 3.27Å; W26-V40 WeakPolarHBondContact CA-O 3.47Å; W26-D41 HydrophobicContact CD2-CB 3.84Å; W26-D41 HydrophobicContact CE3-CB 4.05Å; W26-D41 HydrophobicContact CG-CB 4.48Å; W26-D41 HydrophobicContact CH2-CB 4Å; W26-D41 HydrophobicContact CZ2-CB 3.74Å; W26-D41 HydrophobicContact CZ3-CB 4.14Å; W26-T48 HydrophobicContact CH2-CG2 3.93Å; W26-T48 HydrophobicContact CZ3-CG2 3.57Å; W26-P52 HydrophobicContact CD2-CB 3.83Å; W26-P52 HydrophobicContact CD2-CG 3.69Å; W26-P52 HydrophobicContact CE3-CB 3.81Å; W26-P52 HydrophobicContact CE3-CG 3.48Å; W26-P52 VanDerWaalsContact CE3-CG 3.48Å; W26-P52 HydrophobicContact CG-CG 4.2Å; W26-P52 HydrophobicContact CH2-CB 3.82Å; W26-P52 HydrophobicContact CH2-CG 4.37Å; W26-P52 HydrophobicContact CZ2-CB 3.87Å; W26-P52 HydrophobicContact CZ3-CB 3.79Å; W26-P52 HydrophobicContact CZ3-CG 3.83Å |
| 27 | E | 92.1 | Very high | 83 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 34% | 0.336 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136 | 176.1 | -168.7 | -171.4 | 141 | 0 | 0 | 110.7 | K29 F39 V40 H42 | E27-K29 HydrophobicContact CG-CG 4.24Å; E27-K29 WeakPolarHBondContact OE1-CG 3.18Å; E27-K29 IonicContact OE1-NZ 2.89Å; E27-K29 PolarHBondContact OE1-NZ 3.03Å; E27-K29 IonicContact OE2-NZ 2.69Å; E27-K29 PolarHBondContact OE2-NZ 2.93Å; E27-F39 CarbonylContact O-C 3.54Å; E27-F39 WeakPolarHBondContact O-CA 3.26Å; E27-V40 PolarHBondContact N-O 3Å; E27-V40 PolarHBondContact O-N 3Å; E27-H42 IonicContact OE2-CE1 3.29Å; E27-H42 PolarHBondContact OE2-CE1 3.02Å; E27-H42 VanDerWaalsContact OE2-CE1 3.27Å; E27-H42 IonicContact OE2-NE2 3.71Å |
| 28 | I | 92.5 | Very high | 84.8 | Confident | 48 Ų | 48 | 93.3 Ų | 93.3 | 25% | 0.246 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.1 | 164.5 | -72.6 | 155.7 | 0 | 0 | 0 | 108.5 | L22 P37 F39 | L22-I28 HydrophobicContact CD1-CB 4.3Å; L22-I28 HydrophobicContact CD1-CD1 3.92Å; L22-I28 HydrophobicContact CD1-CG1 3.75Å; L22-I28 HydrophobicContact CD2-CD1 3.96Å; L22-I28 HydrophobicContact CD2-CG1 4.03Å; L22-I28 HydrophobicContact CG-CD1 4.19Å; L22-I28 HydrophobicContact CG-CG1 4.39Å; I28-P37 HydrophobicContact CG2-CB 4.19Å; I28-F39 HydrophobicContact CD1-CD1 4.35Å; I28-F39 HydrophobicContact CD1-CE1 3.83Å; I28-F39 HydrophobicContact CG1-CD1 3.52Å; I28-F39 HydrophobicContact CG1-CE1 3.42Å; I28-F39 VanDerWaalsContact CG1-CE1 3.42Å; I28-F39 HydrophobicContact CG1-CZ 4.34Å |
| 29 | K | 91.6 | Very high | 86.7 | Confident | 84 Ų | 84 | 87.1 Ų | 87.1 | 37% | 0.365 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.8 | 170.5 | -58.5 | -176.1 | 97.7 | 76 | 0 | 108.8 | E27 P37 F38 V40 | E27-K29 HydrophobicContact CG-CG 4.24Å; E27-K29 WeakPolarHBondContact OE1-CG 3.18Å; E27-K29 IonicContact OE1-NZ 2.89Å; E27-K29 PolarHBondContact OE1-NZ 3.03Å; E27-K29 IonicContact OE2-NZ 2.69Å; E27-K29 PolarHBondContact OE2-NZ 2.93Å; K29-P37 CarbonylContact O-C 3.58Å; K29-P37 WeakPolarHBondContact O-CA 2.89Å; K29-F38 HydrophobicContact CB-CD1 4.11Å; K29-F38 HydrophobicContact CB-CD2 4.36Å; K29-F38 HydrophobicContact CB-CE1 3.6Å; K29-F38 HydrophobicContact CB-CE2 3.89Å; K29-F38 HydrophobicContact CB-CG 4.48Å; K29-F38 HydrophobicContact CB-CZ 3.49Å; K29-F38 VanDerWaalsContact CB-CZ 3.49Å; K29-F38 HydrophobicContact CD-CE2 4.09Å; K29-F38 HydrophobicContact CD-CZ 4.03Å; K29-F38 HydrophobicContact CG-CE2 4.44Å; K29-F38 HydrophobicContact CG-CZ 4.33Å; K29-F38 PolarHBondContact N-O 2.89Å; K29-F38 WeakPolarHBondContact O-CD1 3.18Å; K29-F38 PolarHBondContact O-N 2.9Å; K29-V40 HydrophobicContact CD-CG2 3.55Å; K29-V40 HydrophobicContact CG-CG2 4.01Å |
| 30 | I | 91.6 | Very high | 88.3 | Confident | 117 Ų | 117 | 77.8 Ų | 77.8 | 60% | 0.6 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.2 | 171.8 | -60.8 | 176.3 | 0 | 0 | 0 | 107.3 | W36 | I30-W36 WeakPolarHBondContact CA-O 3.34Å |
| 31 | D | 91.1 | Very high | 89.3 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 15% | 0.15 | 41% | 0.406 | C | S | . | . | trans | -69.7 | 122.4 | 174.3 | 164.3 | 31.2 | 0 | 0 | 0 | 109.9 | Q33 T34 G35 W36 F38 W49 | D31-Q33 PolarHBondContact O-N 3.1Å; D31-Q33 PolarHBondContact OD1-N 2.97Å; D31-T34 WeakPolarHBondContact OD2-CB 3.49Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.33Å; D31-T34 PolarHBondContact OD2-N 3.15Å; D31-T34 PolarHBondContact OD2-OG1 3.31Å; D31-G35 VanDerWaalsContact O-CA 3.26Å; D31-G35 WeakPolarHBondContact O-CA 3.27Å; D31-G35 PolarHBondContact O-N 2.85Å; D31-W36 PolarHBondContact N-O 3.47Å; D31-F38 HydrophobicContact CB-CD1 4.07Å; D31-F38 HydrophobicContact CB-CE1 4.05Å; D31-W49 HydrophobicContact CB-CH2 4.06Å; D31-W49 HydrophobicContact CB-CZ3 4.48Å | ||
| 32 | P | 86.5 | Confident | 89.9 | Confident | 132 Ų | 132 | 72.6 Ų | 72.6 | 86% | 0.857 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.2 | 179.3 | 29.3 | -37 | 0 | 0 | 0 | 114.1 | ||
| 33 | Q | 82.6 | Confident | 90.2 | Very high | 178 Ų | 178 | 76 Ų | 76 | 83% | 0.832 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -45.9 | 179.2 | -171.4 | 173.8 | 31.1 | 0 | 0 | 112.4 | D31 | D31-Q33 PolarHBondContact O-N 3.1Å; D31-Q33 PolarHBondContact OD1-N 2.97Å |
| 34 | T | 90.2 | Very high | 90.4 | Very high | 76 Ų | 76 | 76.9 Ų | 76.9 | 47% | 0.466 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -23.4 | -176.8 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | D31 W36 | D31-T34 WeakPolarHBondContact OD2-CB 3.49Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.33Å; D31-T34 PolarHBondContact OD2-N 3.15Å; D31-T34 PolarHBondContact OD2-OG1 3.31Å; T34-W36 VanDerWaalsContact C-N 3.32Å; T34-W36 VanDerWaalsContact O-CD1 3.31Å; T34-W36 PolarHBondContact OG1-N 3.12Å |
| 35 | G | 90.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 82.1 Ų | 82.1 | 52% | 0.515 | 42% | 0.423 | S | S | . | . | trans | 79 | 7.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | D31 | D31-G35 VanDerWaalsContact O-CA 3.26Å; D31-G35 WeakPolarHBondContact O-CA 3.27Å; D31-G35 PolarHBondContact O-N 2.85Å | ||
| 36 | W | 91.1 | Very high | 90.7 | Very high | 180 Ų | 180 | 84 Ų | 84 | 68% | 0.682 | 43% | 0.428 | S | S | * | . | trans | -87.4 | 145.9 | -178.8 | -70.2 | 65.2 | 0 | 0 | 0 | 111.9 | I30 D31 T34 W49 | I30-W36 WeakPolarHBondContact CA-O 3.34Å; D31-W36 PolarHBondContact N-O 3.47Å; T34-W36 VanDerWaalsContact C-N 3.32Å; T34-W36 VanDerWaalsContact O-CD1 3.31Å; T34-W36 PolarHBondContact OG1-N 3.12Å; W36-W49 HydrophobicContact CB-CE3 4.43Å; W36-W49 HydrophobicContact CB-CZ3 3.88Å | ||
| 37 | P | 91.5 | Very high | 90.7 | Very high | 65 Ų | 65 | 85.6 Ų | 85.6 | 42% | 0.422 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.2 | 170.6 | 30.7 | -33.5 | 0 | 0 | 0 | 110.7 | I28 K29 | I28-P37 HydrophobicContact CG2-CB 4.19Å; K29-P37 CarbonylContact O-C 3.58Å; K29-P37 WeakPolarHBondContact O-CA 2.89Å |
| 38 | F | 91.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 84.4 Ų | 84.4 | 18% | 0.18 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.4 | 168.2 | 69.1 | -84.6 | 0 | 0 | 0 | 110.3 | K29 D31 V40 T47 W49 | K29-F38 HydrophobicContact CB-CD1 4.11Å; K29-F38 HydrophobicContact CB-CD2 4.36Å; K29-F38 HydrophobicContact CB-CE1 3.6Å; K29-F38 HydrophobicContact CB-CE2 3.89Å; K29-F38 HydrophobicContact CB-CG 4.48Å; K29-F38 HydrophobicContact CB-CZ 3.49Å; K29-F38 VanDerWaalsContact CB-CZ 3.49Å; K29-F38 HydrophobicContact CD-CE2 4.09Å; K29-F38 HydrophobicContact CD-CZ 4.03Å; K29-F38 HydrophobicContact CG-CE2 4.44Å; K29-F38 HydrophobicContact CG-CZ 4.33Å; K29-F38 PolarHBondContact N-O 2.89Å; K29-F38 WeakPolarHBondContact O-CD1 3.18Å; K29-F38 PolarHBondContact O-N 2.9Å; D31-F38 HydrophobicContact CB-CD1 4.07Å; D31-F38 HydrophobicContact CB-CE1 4.05Å; F38-V40 HydrophobicContact CD2-CG2 3.8Å; F38-V40 HydrophobicContact CE2-CG2 3.54Å; F38-T47 HydrophobicContact CD2-CG2 4.49Å; F38-T47 HydrophobicContact CE2-CG2 4.38Å; F38-W49 HydrophobicContact CB-CD2 4.2Å; F38-W49 HydrophobicContact CB-CE3 3.7Å; F38-W49 HydrophobicContact CB-CH2 4.3Å; F38-W49 HydrophobicContact CB-CZ3 3.75Å; F38-W49 HydrophobicContact CD1-CZ3 4.4Å; F38-W49 HydrophobicContact CG-CZ3 4.47Å |
| 39 | F | 94.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 90 Ų | 90 | 7% | 0.066 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.3 | -172.8 | -54.6 | -96.8 | 0 | 0 | 0 | 109 | L22 W26 E27 I28 T47 T48 N50 D51 P52 | L22-F39 HydrophobicContact CD2-CD1 3.97Å; L22-F39 HydrophobicContact CD2-CE1 4.17Å; W26-F39 HydrophobicContact CE3-CB 3.9Å; W26-F39 HydrophobicContact CZ3-CB 3.9Å; E27-F39 CarbonylContact O-C 3.54Å; E27-F39 WeakPolarHBondContact O-CA 3.26Å; I28-F39 HydrophobicContact CD1-CD1 4.35Å; I28-F39 HydrophobicContact CD1-CE1 3.83Å; I28-F39 HydrophobicContact CG1-CD1 3.52Å; I28-F39 HydrophobicContact CG1-CE1 3.42Å; I28-F39 VanDerWaalsContact CG1-CE1 3.42Å; I28-F39 HydrophobicContact CG1-CZ 4.34Å; F39-T47 CarbonylContact O-C 3.6Å; F39-T47 WeakPolarHBondContact O-CA 3.3Å; F39-T48 HydrophobicContact CB-CG2 4.12Å; F39-T48 PolarHBondContact N-O 2.97Å; F39-T48 PolarHBondContact O-N 3.34Å; F39-N50 WeakPolarHBondContact CD2-O 3.24Å; F39-D51 HydrophobicContact CE1-CB 3.79Å; F39-D51 WeakPolarHBondContact CE1-OD2 3.05Å; F39-D51 HydrophobicContact CE2-CB 3.78Å; F39-D51 HydrophobicContact CZ-CB 3.37Å; F39-D51 WeakPolarHBondContact CZ-OD2 3.42Å; F39-P52 VanDerWaalsContact CD1-CD 3.45Å; F39-P52 HydrophobicContact CD1-CG 4.35Å |
| 40 | V | 93.2 | Very high | 90.5 | Very high | 18 Ų | 18 | 90.1 Ų | 90.1 | 11% | 0.109 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.6 | 179.5 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | W26 E27 K29 F38 T47 | W26-V40 CarbonylContact C-O 3.55Å; W26-V40 VanDerWaalsContact CA-O 3.27Å; W26-V40 WeakPolarHBondContact CA-O 3.47Å; E27-V40 PolarHBondContact N-O 3Å; E27-V40 PolarHBondContact O-N 3Å; K29-V40 HydrophobicContact CD-CG2 3.55Å; K29-V40 HydrophobicContact CG-CG2 4.01Å; F38-V40 HydrophobicContact CD2-CG2 3.8Å; F38-V40 HydrophobicContact CE2-CG2 3.54Å; V40-T47 HydrophobicContact CG1-CG2 4.2Å; V40-T47 HydrophobicContact CG2-CG2 4.05Å |
| 41 | D | 91.9 | Very high | 90.2 | Very high | 15 Ų | 15 | 86 Ų | 86 | 8% | 0.08 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 107.3 | 171.9 | 176.8 | 25.3 | 0 | 0 | 0 | 110.1 | W26 N43 S44 R45 T46 | W26-D41 HydrophobicContact CD2-CB 3.84Å; W26-D41 HydrophobicContact CE3-CB 4.05Å; W26-D41 HydrophobicContact CG-CB 4.48Å; W26-D41 HydrophobicContact CH2-CB 4Å; W26-D41 HydrophobicContact CZ2-CB 3.74Å; W26-D41 HydrophobicContact CZ3-CB 4.14Å; D41-N43 PolarHBondContact O-N 3.01Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.3Å; D41-N43 PolarHBondContact OD1-N 3.33Å; D41-N43 PolarHBondContact OD1-ND2 3.02Å; D41-S44 WeakPolarHBondContact OD2-CB 3.13Å; D41-S44 PolarHBondContact OD2-N 3.34Å; D41-S44 PolarHBondContact OD2-OG 2.94Å; D41-R45 WeakPolarHBondContact O-CA 3.25Å; D41-R45 PolarHBondContact O-N 3.21Å; D41-T46 PolarHBondContact N-O 3.01Å; D41-T46 PolarHBondContact O-N 2.86Å |
| 42 | H | 91.3 | Very high | 89.6 | Confident | 103 Ų | 103 | 86.6 Ų | 86.6 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.7 | 176.6 | -59.5 | 150.1 | 0 | 0 | 0 | 113.4 | G25 E27 | G25-H42 VanDerWaalsContact O-CB 3.25Å; G25-H42 WeakPolarHBondContact O-CB 3.46Å; G25-H42 PolarHBondContact O-N 2.81Å; G25-H42 PolarHBondContact O-ND1 3.05Å; E27-H42 IonicContact OE2-CE1 3.29Å; E27-H42 PolarHBondContact OE2-CE1 3.02Å; E27-H42 VanDerWaalsContact OE2-CE1 3.27Å; E27-H42 IonicContact OE2-NE2 3.71Å |
| 43 | N | 88.8 | Confident | 89.2 | Confident | 115 Ų | 115 | 83.3 Ų | 83.3 | 62% | 0.615 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -48.8 | 176 | -52.8 | -78.7 | 0 | 0 | 0 | 111.2 | P24 D41 | P24-N43 PolarHBondContact O-ND2 3.39Å; D41-N43 PolarHBondContact O-N 3.01Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.3Å; D41-N43 PolarHBondContact OD1-N 3.33Å; D41-N43 PolarHBondContact OD1-ND2 3.02Å |
| 44 | S | 91.1 | Very high | 88.9 | Confident | 63 Ų | 63 | 78.5 Ų | 78.5 | 44% | 0.441 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -11.4 | 176.7 | 64.1 | 0 | 0 | 0 | 0 | 114.7 | D41 T46 | D41-S44 WeakPolarHBondContact OD2-CB 3.13Å; D41-S44 PolarHBondContact OD2-N 3.34Å; D41-S44 PolarHBondContact OD2-OG 2.94Å; S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 WeakPolarHBondContact OG-CG2 3.19Å; S44-T46 PolarHBondContact OG-N 2.91Å; S44-T46 PolarHBondContact OG-OG1 3.49Å |
| 45 | R | 92.3 | Very high | 87.5 | Confident | 227 Ų | 227 | 79.3 Ų | 79.3 | 86% | 0.857 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 33.1 | -169.8 | -52.8 | -179.5 | -178.7 | 174.9 | 0.4 | 113.5 | D41 | D41-R45 WeakPolarHBondContact O-CA 3.25Å; D41-R45 PolarHBondContact O-N 3.21Å |
| 46 | T | 86.5 | Confident | 85.7 | Confident | 72 Ų | 72 | 82 Ų | 82 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 159.5 | 178.3 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | D41 S44 | D41-T46 PolarHBondContact N-O 3.01Å; D41-T46 PolarHBondContact O-N 2.86Å; S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 WeakPolarHBondContact OG-CG2 3.19Å; S44-T46 PolarHBondContact OG-N 2.91Å; S44-T46 PolarHBondContact OG-OG1 3.49Å |
| 47 | T | 92.7 | Very high | 83.5 | Confident | 98 Ų | 98 | 81.1 Ų | 81.1 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.5 | 174.7 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | F38 F39 V40 | F38-T47 HydrophobicContact CD2-CG2 4.49Å; F38-T47 HydrophobicContact CE2-CG2 4.38Å; F39-T47 CarbonylContact O-C 3.6Å; F39-T47 WeakPolarHBondContact O-CA 3.3Å; V40-T47 HydrophobicContact CG1-CG2 4.2Å; V40-T47 HydrophobicContact CG2-CG2 4.05Å |
| 48 | T | 89.3 | Confident | 81.1 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149.9 | 179.6 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | W26 F39 N50 | W26-T48 HydrophobicContact CH2-CG2 3.93Å; W26-T48 HydrophobicContact CZ3-CG2 3.57Å; F39-T48 HydrophobicContact CB-CG2 4.12Å; F39-T48 PolarHBondContact N-O 2.97Å; F39-T48 PolarHBondContact O-N 3.34Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 WeakPolarHBondContact CG2-O 3.48Å; T48-N50 PolarHBondContact OG1-N 2.74Å; T48-N50 VanDerWaalsContact OG1-N 3.11Å |
| 49 | W | 92.4 | Very high | 78.7 | Confident | 165 Ų | 165 | 84.5 Ų | 84.5 | 63% | 0.625 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -87.5 | -5.9 | 174 | -60.1 | 100.3 | 0 | 0 | 0 | 112.9 | D31 W36 F38 | D31-W49 HydrophobicContact CB-CH2 4.06Å; D31-W49 HydrophobicContact CB-CZ3 4.48Å; W36-W49 HydrophobicContact CB-CE3 4.43Å; W36-W49 HydrophobicContact CB-CZ3 3.88Å; F38-W49 HydrophobicContact CB-CD2 4.2Å; F38-W49 HydrophobicContact CB-CE3 3.7Å; F38-W49 HydrophobicContact CB-CH2 4.3Å; F38-W49 HydrophobicContact CB-CZ3 3.75Å; F38-W49 HydrophobicContact CD1-CZ3 4.4Å; F38-W49 HydrophobicContact CG-CZ3 4.47Å |
| 50 | N | 88.9 | Confident | 76 | Confident | 87 Ų | 87 | 93.3 Ų | 93.3 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -100.5 | 137.1 | 178.3 | -164.1 | 12.9 | 0 | 0 | 0 | 111 | F39 T48 V54 | F39-N50 WeakPolarHBondContact CD2-O 3.24Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 WeakPolarHBondContact CG2-O 3.48Å; T48-N50 PolarHBondContact OG1-N 2.74Å; T48-N50 VanDerWaalsContact OG1-N 3.11Å; N50-V54 WeakPolarHBondContact OD1-CG2 3.2Å |
| 51 | D | 86.3 | Confident | 73.3 | Confident | 29 Ų | 29 | 101.5 Ų | 101.5 | 16% | 0.155 | 53% | 0.534 | C | S | . | . | trans | -73.8 | 124.9 | -174.4 | -169 | -36.5 | 0 | 0 | 0 | 110.8 | F39 R53 V54 | F39-D51 HydrophobicContact CE1-CB 3.79Å; F39-D51 WeakPolarHBondContact CE1-OD2 3.05Å; F39-D51 HydrophobicContact CE2-CB 3.78Å; F39-D51 HydrophobicContact CZ-CB 3.37Å; F39-D51 WeakPolarHBondContact CZ-OD2 3.42Å; D51-R53 PolarHBondContact O-N 2.69Å; D51-R53 WeakPolarHBondContact OD1-CB 3.46Å; D51-R53 WeakPolarHBondContact OD1-CG 3.25Å; D51-R53 IonicContact OD1-CZ 2.67Å; D51-R53 PolarHBondContact OD1-N 2.97Å; D51-R53 IonicContact OD1-NE 3.23Å; D51-R53 PolarHBondContact OD1-NE 2.92Å; D51-R53 IonicContact OD1-NH2 2.63Å; D51-R53 IonicContact OD2-CZ 2.73Å; D51-R53 IonicContact OD2-NE 2.75Å; D51-R53 PolarHBondContact OD2-NE 2.83Å; D51-R53 IonicContact OD2-NH2 3.47Å; D51-R53 PolarHBondContact OD2-NH2 3.25Å; D51-V54 HydrophobicContact CB-CG1 4.29Å; D51-V54 HydrophobicContact CB-CG2 4.14Å; D51-V54 WeakPolarHBondContact O-CG2 3.4Å; D51-V54 PolarHBondContact O-N 3.48Å; D51-V54 VanDerWaalsContact O-N 3.12Å | ||
| 52 | P | 77.7 | Confident | 70.6 | Confident | 41 Ų | 41 | 107 Ų | 107 | 27% | 0.266 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.2 | -13.1 | 178.9 | 31.7 | -40.9 | 0 | 0 | 0 | 113.7 | L22 P23 W26 F39 | L22-P52 HydrophobicContact CD2-CG 4.12Å; P23-P52 HydrophobicContact CG-CB 4.14Å; P23-P52 HydrophobicContact CG-CG 4.28Å; W26-P52 HydrophobicContact CD2-CB 3.83Å; W26-P52 HydrophobicContact CD2-CG 3.69Å; W26-P52 HydrophobicContact CE3-CB 3.81Å; W26-P52 HydrophobicContact CE3-CG 3.48Å; W26-P52 VanDerWaalsContact CE3-CG 3.48Å; W26-P52 HydrophobicContact CG-CG 4.2Å; W26-P52 HydrophobicContact CH2-CB 3.82Å; W26-P52 HydrophobicContact CH2-CG 4.37Å; W26-P52 HydrophobicContact CZ2-CB 3.87Å; W26-P52 HydrophobicContact CZ3-CB 3.79Å; W26-P52 HydrophobicContact CZ3-CG 3.83Å; F39-P52 VanDerWaalsContact CD1-CD 3.45Å; F39-P52 HydrophobicContact CD1-CG 4.35Å |
| 53 | R | 78.9 | Confident | 68.5 | Low | 63 Ų | 63 | 108.4 Ų | 108.4 | 24% | 0.238 | 59% | 0.587 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -20.3 | 177.8 | -57.4 | 167.2 | -67.6 | -178 | 9.4 | 112.7 | G17 D20 D51 | G17-R53 PolarHBondContact O-NH1 3.48Å; G17-R53 PolarHBondContact O-NH2 3.06Å; D20-R53 PolarHBondContact O-NH1 3.44Å; D51-R53 PolarHBondContact O-N 2.69Å; D51-R53 WeakPolarHBondContact OD1-CB 3.46Å; D51-R53 WeakPolarHBondContact OD1-CG 3.25Å; D51-R53 IonicContact OD1-CZ 2.67Å; D51-R53 PolarHBondContact OD1-N 2.97Å; D51-R53 IonicContact OD1-NE 3.23Å; D51-R53 PolarHBondContact OD1-NE 2.92Å; D51-R53 IonicContact OD1-NH2 2.63Å; D51-R53 IonicContact OD2-CZ 2.73Å; D51-R53 IonicContact OD2-NE 2.75Å; D51-R53 PolarHBondContact OD2-NE 2.83Å; D51-R53 IonicContact OD2-NH2 3.47Å; D51-R53 PolarHBondContact OD2-NH2 3.25Å |
| 54 | V | 77.1 | Confident | 65.9 | Low | 77 Ų | 77 | 107.9 Ų | 107.9 | 47% | 0.467 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -86 | 120.1 | 170.4 | -54.2 | 0 | 0 | 0 | 0 | 108.7 | N50 D51 S56 | N50-V54 WeakPolarHBondContact OD1-CG2 3.2Å; D51-V54 HydrophobicContact CB-CG1 4.29Å; D51-V54 HydrophobicContact CB-CG2 4.14Å; D51-V54 WeakPolarHBondContact O-CG2 3.4Å; D51-V54 PolarHBondContact O-N 3.48Å; D51-V54 VanDerWaalsContact O-N 3.12Å; V54-S56 PolarHBondContact O-N 3.27Å |
| 55 | P | 59.5 | Low | 63.3 | Low | 94 Ų | 94 | 110.2 Ų | 110.2 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | trans | -62.5 | 132.6 | 169.2 | 27.7 | -32.8 | 0 | 0 | 0 | 108 | E57 | P55-E57 PolarHBondContact O-N 2.61Š| ||
| 56 | S | 53.8 | Low | 60.9 | Low | 107 Ų | 107 | 104 Ų | 104 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | trans | -63.1 | 106.8 | 168.7 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | V54 G58 | V54-S56 PolarHBondContact O-N 3.27Å; S56-G58 PolarHBondContact O-N 3.49Å | ||
| 57 | E | 44.2 | Very low | 58.4 | Low | 161 Ų | 161 | 108.9 Ų | 108.9 | 75% | 0.752 | 63% | 0.628 | S | S | * | * | trans | -67.6 | 71.7 | -177 | -77.4 | -65.9 | 143.5 | 0 | 0 | 112.1 | P55 | P55-E57 PolarHBondContact O-N 2.61Š| ||
| 58 | G | 41.7 | Very low | 55.7 | Low | 46 Ų | 46 | 107.2 Ų | 107.2 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 121.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S56 K60 | S56-G58 PolarHBondContact O-N 3.49Å; G58-K60 PolarHBondContact O-N 2.93Å; G58-K60 VanDerWaalsContact O-N 3.12Å |
| 59 | P | 40.7 | Very low | 53.9 | Low | 131 Ų | 131 | 111 Ų | 111 | 85% | 0.851 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.3 | -174.4 | -28.3 | 35.7 | 0 | 0 | 0 | 113.1 | ||
| 60 | K | 37.7 | Very low | 50.9 | Low | 200 Ų | 200 | 108.9 Ų | 108.9 | 87% | 0.87 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 122.1 | 171.9 | -76.7 | 176.9 | 179 | 167 | 0 | 110.3 | G58 | G58-K60 PolarHBondContact O-N 2.93Å; G58-K60 VanDerWaalsContact O-N 3.12Å |
| 61 | E | 37.4 | Very low | 48.6 | Very low | 190 Ų | 190 | 115.6 Ų | 115.6 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 132.8 | 177.9 | -59.1 | -177.2 | 113.6 | 0 | 0 | 111.6 | P63 | E61-P63 WeakPolarHBondContact O-CD 3.44Š|
| 62 | T | 34.8 | Very low | 46 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -95.1 | 113.8 | 173 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | S64 | T62-S64 PolarHBondContact O-N 3.33Š| ||
| 63 | P | 47.6 | Very low | 43.9 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -80.8 | 112.7 | -178.8 | 30.8 | -33.3 | 0 | 0 | 0 | 111.3 | E61 | E61-P63 WeakPolarHBondContact O-CD 3.44Š| ||
| 64 | S | 34.1 | Very low | 41.9 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -151.2 | 118 | 164 | -169.2 | 0 | 0 | 0 | 0 | 114.4 | T62 | T62-S64 PolarHBondContact O-N 3.33Š| ||
| 65 | S | 37 | Very low | 39.6 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 49.7 | 100.8 | 143 | -53.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 66 | A | 41.8 | Very low | 38.8 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -46.6 | 140.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 67 | N | 33 | Very low | 38.1 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -161 | 145.3 | 143.9 | -109.2 | -42.2 | 0 | 0 | 0 | 112.4 | ||||
| 68 | G | 35.3 | Very low | 37.9 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | trans | 167 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 69 | P | 52 | Low | 37.8 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | cis | -113.8 | -171.5 | -1.6 | 41.5 | -30.8 | 0 | 0 | 0 | 111.9 | ||||
| 70 | S | 29.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -142.6 | 152.8 | 149.3 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 71 | R | 41.4 | Very low | 37.8 | Very low | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -119.8 | 121.3 | -178.6 | -74.5 | 179.3 | 166.9 | -152.3 | -0.1 | 109.7 | ||||
| 72 | E | 31.6 | Very low | 38.1 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -164.6 | 141.2 | 157.1 | -152.4 | 63.9 | -90.6 | 0 | 0 | 107.7 | ||||
| 73 | G | 32.5 | Very low | 38.4 | Very low | 56 Ų | 56 | 137.8 Ų | 137.8 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | cis | -158.9 | 163.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | S | 37.4 | Very low | 38.5 | Very low | 134 Ų | 134 | 136 Ų | 136 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 127.4 | -167.9 | -59.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 75 | R | 29.5 | Very low | 39.2 | Very low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 119.1 | 159.4 | -150.3 | 175 | -146.7 | -124.3 | 2.8 | 112.7 | ||||
| 76 | L | 41.6 | Very low | 40 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 131.2 | 174.2 | -70.9 | 164.9 | 0 | 0 | 0 | 111 | ||
| 77 | P | 40.5 | Very low | 41.1 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 159.5 | 153.5 | 34.7 | -28.3 | 0 | 0 | 0 | 111.1 | ||
| 78 | P | 39 | Very low | 42.8 | Very low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 160 | -173 | 32.8 | -36.5 | 0 | 0 | 0 | 113.5 | ||
| 79 | A | 40.2 | Very low | 44.3 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 128.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 80 | R | 39.8 | Very low | 44.9 | Very low | 205 Ų | 205 | 148.9 Ų | 148.9 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | -152.2 | 147.3 | 160.5 | -160.4 | 164 | 176.1 | 111.5 | 28 | 112.2 | ||||
| 81 | E | 38 | Very low | 46.6 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -2.1 | 121.9 | 171.4 | -67.5 | 145.8 | 161 | 0 | 0 | 118 | H83 | E81-H83 PolarHBondContact O-N 2.84Š| ||
| 82 | G | 44.5 | Very low | 47.8 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 94% | 0.938 | 79% | 0.792 | S | S | * | * | trans | -72.4 | 120.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 83 | H | 39.9 | Very low | 49.7 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | trans | -114.7 | 134.6 | 166.4 | -163.3 | -70.9 | 0 | 0 | 0 | 108.5 | E81 V85 | E81-H83 PolarHBondContact O-N 2.84Å; H83-V85 PolarHBondContact O-N 3.28Å | ||
| 84 | P | 51 | Low | 51.1 | Low | 95 Ų | 95 | 146.3 Ų | 146.3 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | trans | -64.6 | 121.3 | 172.5 | 26.6 | -32.8 | 0 | 0 | 0 | 109.2 | ||||
| 85 | V | 47.3 | Very low | 52.2 | Low | 131 Ų | 131 | 144.6 Ų | 144.6 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -98.7 | 103 | 173.9 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | H83 | H83-V85 PolarHBondContact O-N 3.28Š| ||
| 86 | Y | 55.2 | Low | 53.6 | Low | 201 Ų | 201 | 140.3 Ų | 140.3 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -70.4 | 136.4 | 167.1 | -79 | -88 | 0 | 0 | 0 | 109.4 | Q88 | Y86-Q88 PolarHBondContact O-N 3.49Š| ||
| 87 | P | 64.7 | Low | 54.4 | Low | 105 Ų | 105 | 137.4 Ų | 137.4 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -65.1 | 121.3 | 175.5 | 27.1 | -33.4 | 0 | 0 | 0 | 109.4 | L89 | P87-L89 PolarHBondContact O-N 2.8Å; P87-L89 VanDerWaalsContact O-N 3.09Å | ||
| 88 | Q | 67.3 | Low | 55.1 | Low | 196 Ų | 196 | 138 Ų | 138 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 108.6 | -175.8 | -166.9 | 157.3 | 9.8 | 0 | 0 | 110.4 | Y86 | Y86-Q88 PolarHBondContact O-N 3.49Š| ||
| 89 | L | 67.8 | Low | 55.8 | Low | 96 Ų | 96 | 139.6 Ų | 139.6 | 50% | 0.503 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 155.5 | -178.5 | -58.4 | 179.1 | 0 | 0 | 0 | 111.3 | P87 Y93 | P87-L89 PolarHBondContact O-N 2.8Å; P87-L89 VanDerWaalsContact O-N 3.09Å; L89-Y93 HydrophobicContact CD1-CD1 4.18Å; L89-Y93 HydrophobicContact CD1-CG 4.41Å |
| 90 | R | 63.6 | Low | 56.1 | Low | 217 Ų | 217 | 142.2 Ų | 142.2 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 146.1 | 176.5 | -72.6 | -176.9 | 174.2 | 176 | -1.6 | 110.7 | G92 Y93 | R90-G92 PolarHBondContact O-N 3.39Å; R90-Y93 PolarHBondContact O-N 2.83Å; R90-Y93 VanDerWaalsContact O-N 3.15Å |
| 91 | P | 65.7 | Low | 56.8 | Low | 140 Ų | 140 | 142.2 Ų | 142.2 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 128.8 | 173.2 | -26.9 | 35.1 | 0 | 0 | 0 | 111.4 | ||
| 92 | G | 67.4 | Low | 57.2 | Low | 83 Ų | 83 | 138.8 Ų | 138.8 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.2 | -14 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R90 | R90-G92 PolarHBondContact O-N 3.39Š|
| 93 | Y | 70.7 | Confident | 57 | Low | 179 Ų | 179 | 138.9 Ų | 138.9 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 128.3 | 171.8 | -111.2 | -95.2 | 0 | 0 | 0 | 112.2 | L89 R90 | L89-Y93 HydrophobicContact CD1-CD1 4.18Å; L89-Y93 HydrophobicContact CD1-CG 4.41Å; R90-Y93 PolarHBondContact O-N 2.83Å; R90-Y93 VanDerWaalsContact O-N 3.15Å |
| 94 | I | 63 | Low | 56.9 | Low | 144 Ų | 144 | 140.2 Ų | 140.2 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 128.4 | 171.8 | -57.7 | 175.8 | 0 | 0 | 0 | 108.2 | I96 | I94-I96 PolarHBondContact O-N 2.75Š|
| 95 | P | 59.2 | Low | 56.5 | Low | 98 Ų | 98 | 142.5 Ų | 142.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 127.6 | 175.6 | 29.5 | -33.3 | 0 | 0 | 0 | 110.8 | P97 | P95-P97 WeakPolarHBondContact O-CD 3.35Š|
| 96 | I | 59.8 | Low | 56.2 | Low | 151 Ų | 151 | 147.9 Ų | 147.9 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 123.5 | 172.2 | -58.5 | 175.9 | 0 | 0 | 0 | 108.2 | I94 V98 | I94-I96 PolarHBondContact O-N 2.75Å; I96-V98 PolarHBondContact O-N 2.67Å |
| 97 | P | 59 | Low | 55.6 | Low | 110 Ų | 110 | 147.3 Ų | 147.3 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -68.3 | 115.1 | 177.6 | -19.8 | 33.2 | 0 | 0 | 0 | 111.7 | P95 L99 | P95-P97 WeakPolarHBondContact O-CD 3.35Å; P97-L99 PolarHBondContact O-N 3.3Å | ||
| 98 | V | 54 | Low | 54.2 | Low | 119 Ų | 119 | 146.7 Ų | 146.7 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -84.4 | 90.1 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | I96 H100 | I96-V98 PolarHBondContact O-N 2.67Å; V98-H100 PolarHBondContact O-N 3.06Å | ||
| 99 | L | 53.2 | Low | 52.6 | Low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -69.9 | 116.4 | 169.5 | -70.7 | 164.3 | 0 | 0 | 0 | 109.4 | P97 E101 | P97-L99 PolarHBondContact O-N 3.3Å; L99-E101 PolarHBondContact O-N 2.91Å | ||
| 100 | H | 46.9 | Very low | 51.4 | Low | 162 Ų | 162 | 147.2 Ų | 147.2 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -81.4 | 97.5 | 164.9 | -86.6 | 59.3 | 0 | 0 | 0 | 108.9 | V98 G102 | V98-H100 PolarHBondContact O-N 3.06Å; H100-G102 PolarHBondContact O-N 2.88Å | ||
| 101 | E | 54.2 | Low | 49.8 | Very low | 205 Ų | 205 | 146 Ų | 146 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 94.8 | 172.8 | -169.3 | 172.2 | 162.4 | 0 | 0 | 109.3 | L99 | L99-E101 PolarHBondContact O-N 2.91Š|
| 102 | G | 46 | Very low | 48.5 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.5 | -9.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116 | H100 E104 | H100-G102 PolarHBondContact O-N 2.88Å; G102-E104 PolarHBondContact O-N 3.46Å |
| 103 | A | 41.1 | Very low | 46.6 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -90.2 | 96.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N105 | A103-N105 PolarHBondContact O-N 2.97Š| ||
| 104 | E | 37.2 | Very low | 45.2 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -72.9 | 116.7 | -176.7 | 52.4 | -176.9 | 113.9 | 0 | 0 | 114.3 | G102 | G102-E104 PolarHBondContact O-N 3.46Š| ||
| 105 | N | 44 | Very low | 44.2 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 38.5 | 83.9 | 150.6 | -156.7 | 4.2 | 0 | 0 | 0 | 118.9 | A103 | A103-N105 PolarHBondContact O-N 2.97Š| ||
| 106 | R | 40.2 | Very low | 43.1 | Very low | 244 Ų | 244 | 151.1 Ų | 151.1 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -125.1 | 128.2 | 144.7 | -82.8 | -165.1 | 171.7 | -161.7 | -2.2 | 111.2 | A108 | R106-A108 PolarHBondContact O-N 3.35Š| ||
| 107 | Q | 42.2 | Very low | 42.4 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -65 | 129.8 | 177.2 | -63.1 | 166 | -60 | 0 | 0 | 110.7 | ||||
| 108 | A | 36.7 | Very low | 41.4 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -137 | 116.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R106 | R106-A108 PolarHBondContact O-N 3.35Š| ||
| 109 | H | 32.4 | Very low | 40.8 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 133.4 | 177 | -71.9 | -61.6 | 0 | 0 | 0 | 111 | F111 | H109-F111 PolarHBondContact O-N 2.65Å; H109-F111 VanDerWaalsContact O-N 3.14Å | ||
| 110 | P | 42.8 | Very low | 40.1 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -70 | 107 | 171.6 | -16.8 | 31.1 | 0 | 0 | 0 | 110.9 | H112 | P110-H112 PolarHBondContact O-N 2.73Š| ||
| 111 | F | 29.2 | Very low | 39.7 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -89.2 | 102.5 | 176 | -157.5 | -84.2 | 0 | 0 | 0 | 110.1 | H109 A113 | H109-F111 PolarHBondContact O-N 2.65Å; H109-F111 VanDerWaalsContact O-N 3.14Å; F111-A113 PolarHBondContact O-N 2.69Å; F111-A113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | H | 39.4 | Very low | 38.9 | Very low | 171 Ų | 171 | 154.1 Ų | 154.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -72.8 | 101.3 | 177.8 | -84.6 | -76.5 | 0 | 0 | 0 | 111.7 | P110 | P110-H112 PolarHBondContact O-N 2.73Š| ||
| 113 | A | 28.3 | Very low | 38.4 | Very low | 90 Ų | 90 | 161.4 Ų | 161.4 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -84.3 | 113.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | F111 | F111-A113 PolarHBondContact O-N 2.69Å; F111-A113 VanDerWaalsContact O-N 3.11Å | ||
| 114 | Y | 40.3 | Very low | 38 | Very low | 204 Ų | 204 | 162.2 Ų | 162.2 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -105.6 | 120.4 | -179.8 | -145.3 | -76.1 | 0 | 0 | 0 | 110.1 | Q116 | Y114-Q116 PolarHBondContact O-N 3.31Š| ||
| 115 | P | 41.9 | Very low | 37.6 | Very low | 114 Ų | 114 | 161.6 Ų | 161.6 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 120.5 | 178.6 | 29 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 116 | Q | 35.3 | Very low | 37 | Very low | 172 Ų | 172 | 159.3 Ų | 159.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91 | 130.1 | 173.7 | -95.5 | -82.9 | -26.9 | 0 | 0 | 110.8 | Y114 | Y114-Q116 PolarHBondContact O-N 3.31Š|
| 117 | P | 46 | Very low | 36.6 | Very low | 110 Ų | 110 | 152 Ų | 152 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 122.5 | 172.1 | 31.3 | -31.9 | 0 | 0 | 0 | 110.5 | ||
| 118 | G | 37.2 | Very low | 37 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 143.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 119 | M | 41.3 | Very low | 36.8 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -129.2 | 129.9 | 172.4 | -73 | -176.5 | 71.3 | 0 | 0 | 112.3 | ||||
| 120 | Q | 39 | Very low | 36.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | 43.9 | 126.4 | 148.3 | -59.9 | -85.1 | 16.2 | 0 | 0 | 119.7 | ||||
| 121 | R | 39.1 | Very low | 37.1 | Very low | 240 Ų | 240 | 145.1 Ų | 145.1 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -97.5 | 132.2 | 172.5 | -48.2 | 171.1 | -168.3 | 157.5 | 2.1 | 109.9 | ||||
| 122 | F | 36.2 | Very low | 37.2 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -133.2 | 163.6 | 157.8 | -82.5 | -81 | 0 | 0 | 0 | 110.8 | ||||
| 123 | R | 36.2 | Very low | 36.5 | Very low | 227 Ų | 227 | 146.1 Ų | 146.1 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -122.8 | 179.4 | -165.5 | -164.6 | -173.4 | -176.3 | -153.7 | 1.5 | 109.1 | ||||
| 124 | T | 33.1 | Very low | 36.7 | Very low | 111 Ų | 111 | 147 Ų | 147 | 68% | 0.681 | 80% | 0.797 | S | S | * | * | trans | 81.2 | 135.2 | 159 | -54.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 125 | E | 29.5 | Very low | 36.3 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | cis | -170.5 | 160.4 | -6.1 | 164.2 | 172.5 | 124.8 | 0 | 0 | 112.1 | ||||
| 126 | A | 30.4 | Very low | 35.9 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 54.6 | 157.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 127 | A | 32.4 | Very low | 36.3 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -105 | -162.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 128 | P | 51.2 | Low | 36 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | cis | -136.6 | 171.9 | -4.5 | 42.8 | -26.4 | 0 | 0 | 0 | 115.7 | ||||
| 129 | A | 32.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 153.9 Ų | 153.9 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -168.8 | 155.5 | 149.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 130 | A | 31.9 | Very low | 35.3 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -148.8 | -175.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 131 | P | 48.7 | Very low | 34.8 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | cis | -130.5 | -175.2 | -8.9 | 42.2 | -26.9 | 0 | 0 | 0 | 113 | ||||
| 132 | Q | 30.9 | Very low | 35.3 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -176.4 | 116.5 | 130.2 | -96.6 | -90.5 | -150.3 | 0 | 0 | 113.9 | ||||
| 133 | R | 26.5 | Very low | 35 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -62.5 | 139.3 | 176 | 166.9 | -167.2 | -169.7 | 159.1 | 2.9 | 116.4 | ||||
| 134 | S | 31.3 | Very low | 34.7 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -151.3 | 102.7 | 136.8 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 135 | Q | 33 | Very low | 34.6 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | 86.7 | 114.3 | 98.1 | -69.5 | -80.9 | 84.4 | 0 | 0 | 113.9 | |||||
| 136 | S | 32.7 | Very low | 34.7 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -105.1 | -153.8 | -176.3 | -34.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 137 | P | 44.4 | Very low | 35.5 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -138.6 | -179.4 | 9.5 | 43 | -22.8 | 0 | 0 | 0 | 117.8 | ||||
| 138 | L | 38.6 | Very low | 35.2 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -91.2 | 159.2 | 169.2 | -75.6 | 162.8 | 0 | 0 | 0 | 113 | ||||
| 139 | R | 35.2 | Very low | 34.6 | Very low | 254 Ų | 254 | 141 Ų | 141 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -147.2 | 144.8 | 146.9 | -89.9 | -166.6 | 175.8 | -143.7 | 2.2 | 108.2 | ||||
| 140 | G | 28.6 | Very low | 34.5 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -177.9 | 163.5 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 141 | M | 29 | Very low | 34.3 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -90.1 | 175.3 | 165.6 | -68.9 | -75.5 | -170.9 | 0 | 0 | 109.9 | ||||
| 142 | P | 49.8 | Very low | 33.4 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | -149 | 149.4 | 87.2 | 38.1 | -20.3 | 0 | 0 | 0 | 117.3 | |||||
| 143 | E | 29.3 | Very low | 33.3 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 65.4 | 159.2 | 137 | -67.8 | 178 | 58.4 | 0 | 0 | 121 | ||||
| 144 | T | 30.4 | Very low | 33.4 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -155 | 168.9 | -0.7 | -0.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 145 | T | 30.3 | Very low | 33.3 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | 71 | 135.8 | 150.4 | -62.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 146 | Q | 32 | Very low | 33.1 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | cis | -158.1 | 172.8 | -17.8 | -114.6 | -147.2 | -11.5 | 0 | 0 | 110.7 | ||||
| 147 | P | 47.1 | Very low | 32.9 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -85 | -169.4 | -179.7 | 40.1 | -38.1 | 0 | 0 | 0 | 112.7 | ||||
| 148 | D | 27 | Very low | 32.3 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -151.8 | -96.6 | 27.2 | -158.5 | -128.2 | 0 | 0 | 0 | 118.2 | ||||
| 149 | K | 38.7 | Very low | 31.9 | Very low | 166 Ų | 166 | 133 Ų | 133 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -149.1 | 173.1 | -156.9 | -64.4 | 173.9 | -163.1 | 77.7 | 0 | 115.1 | ||||
| 150 | Q | 30.1 | Very low | 31.6 | Very low | 188 Ų | 188 | 125.2 Ų | 125.2 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | 119.7 | 133.7 | 134.7 | -164.3 | 165.3 | -66 | 0 | 0 | 120.3 | ||||
| 151 | C | 27.7 | Very low | 31.9 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -18.2 | 144.6 | 162.2 | -169.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 152 | G | 29 | Very low | 33.3 | Very low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -159.2 | 148.2 | 162 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 153 | Q | 29.7 | Very low | 33.5 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -111.5 | -167.2 | 176.4 | -67.1 | -174.5 | -8.3 | 0 | 0 | 111.3 | ||||
| 154 | V | 27.1 | Very low | 33.6 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | 65 | 93.3 | 160.1 | -68.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 155 | A | 29.1 | Very low | 33.8 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 54.9 | 137.6 | 104.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 156 | A | 28.6 | Very low | 33.8 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 94.9 | 155.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 157 | V | 29 | Very low | 33.8 | Very low | 141 Ų | 141 | 122 Ų | 122 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | 53.1 | 100 | 164.6 | -67.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 158 | A | 31.2 | Very low | 33.9 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -106.5 | 144.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 159 | A | 30.5 | Very low | 34.2 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -136.3 | 149.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 160 | A | 30.5 | Very low | 33.9 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | 48.8 | 121.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 161 | Q | 33.6 | Very low | 34.2 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | 65.2 | 159.6 | 61.5 | -71.4 | -148.9 | -7.4 | 0 | 0 | 115 | |||||
| 162 | P | 59.6 | Low | 34.5 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | cis | -121.1 | -148.9 | -5.8 | 42.1 | -25.5 | 0 | 0 | 0 | 109.7 | ||||
| 163 | P | 53.6 | Low | 34.8 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -119.5 | 166.4 | -20.4 | 38.6 | -24 | 0 | 0 | 0 | 113.1 | ||||
| 164 | A | 32 | Very low | 36 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -162.6 | -161.2 | -14.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 165 | S | 32.8 | Very low | 36.2 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | cis | -155 | 177.3 | 15.5 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 166 | H | 31.7 | Very low | 36.4 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | trans | -112.7 | 167.6 | 169.3 | -52.8 | -95.9 | 0 | 0 | 0 | 109 | ||||
| 167 | G | 31.8 | Very low | 36.8 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | 174 | -162.6 | 5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 168 | P | 49.2 | Very low | 37.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | cis | -127.4 | -172.8 | 2.8 | 42.8 | -27.4 | 0 | 0 | 0 | 114.2 | ||||
| 169 | E | 33.6 | Very low | 37.2 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 160.3 | 175.1 | -69.1 | -175.2 | 66.8 | 0 | 0 | 115.2 | S171 | E169-S171 WeakPolarHBondContact OE1-CB 3.25Å; E169-S171 PolarHBondContact OE1-OG 3.12Å | ||
| 170 | R | 31.7 | Very low | 37.4 | Very low | 254 Ų | 254 | 129.4 Ų | 129.4 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | -146 | 139.6 | 110.8 | -155.6 | 175.4 | -176.3 | -151.6 | -1.8 | 111.4 | |||||
| 171 | S | 35.9 | Very low | 37.5 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 54% | 0.538 | 79% | 0.792 | S | S | . | * | trans | -107.8 | 161.1 | -160.4 | 19 | 0 | 0 | 0 | 0 | 114.9 | E169 | E169-S171 WeakPolarHBondContact OE1-CB 3.25Å; E169-S171 PolarHBondContact OE1-OG 3.12Å | ||
| 172 | Q | 34.7 | Very low | 37.5 | Very low | 199 Ų | 199 | 126.6 Ų | 126.6 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -157.8 | 148.7 | 161.6 | -112.8 | 163.9 | 109.2 | 0 | 0 | 110.6 | ||||
| 173 | S | 34.5 | Very low | 36.3 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -124.7 | -167.7 | -161.2 | -22.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 174 | P | 55.4 | Low | 35.2 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | cis | -108.8 | -156.8 | -5.3 | 43.4 | -30.9 | 0 | 0 | 0 | 111.9 | ||||
| 175 | A | 31.3 | Very low | 35.4 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | cis | -151.4 | 168.8 | 3.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 176 | A | 33.3 | Very low | 35.7 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | cis | 80.4 | 135.2 | 18.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 177 | S | 37.8 | Very low | 35.7 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | cis | -164.9 | 169.7 | -10.6 | -98 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 178 | D | 41.7 | Very low | 35.9 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -67.8 | 169.7 | -174.5 | -51 | -95.1 | 0 | 0 | 0 | 116.8 | ||||
| 179 | C | 26 | Very low | 35.8 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -141.1 | 157.7 | 171 | 69.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 180 | S | 35.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -161.2 | 148.4 | 172.5 | -82.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 181 | S | 32.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 72 | 104.8 | 156.3 | -59.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 182 | S | 32.6 | Very low | 35.8 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | 85.6 | 95.3 | 121.6 | -56 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 183 | S | 33.7 | Very low | 35.8 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | 82.7 | 140.3 | 120.9 | -56.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 184 | S | 31.7 | Very low | 36 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 97.7 | 94.8 | 148.6 | -57.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 185 | S | 35.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | 58.9 | 118.3 | 129 | 63.6 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 186 | A | 38.9 | Very low | 35.4 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 82.5 | 111.4 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 187 | S | 31.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 123 Ų | 123 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -159.8 | 163.5 | 139.4 | -83.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | L | 37 | Very low | 36.2 | Very low | 167 Ų | 167 | 123.1 Ų | 123.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -124.8 | 175.2 | -172.5 | -80.7 | 171.7 | 0 | 0 | 0 | 109.3 | ||||
| 189 | P | 47.9 | Very low | 36.5 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | cis | -150.9 | 172 | 25.3 | 44.8 | -24.1 | 0 | 0 | 0 | 121.1 | ||||
| 190 | S | 31.2 | Very low | 38.1 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 78 | 145.2 | 143.8 | -151.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 191 | S | 34.7 | Very low | 39 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 71 | 110.3 | 154.3 | -53.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 192 | G | 33.9 | Very low | 40.4 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 116.9 | 91.2 | -10 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 193 | R | 34.9 | Very low | 41.1 | Very low | 253 Ų | 253 | 133.1 Ų | 133.1 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | trans | -142 | 148.1 | 156.8 | -65.9 | -169.5 | 75.3 | -156.1 | 1.7 | 109 | ||||
| 194 | S | 38.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -130.9 | 152.7 | -153.8 | -46.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 195 | S | 33 | Very low | 43.3 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -149.4 | 95.5 | 153.6 | -165.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 196 | L | 41.6 | Very low | 44.3 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | 65.6 | 113.8 | 90.9 | -72.8 | 168.2 | 0 | 0 | 0 | 113.6 | |||||
| 197 | G | 43.6 | Very low | 44.6 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 128.3 | -4.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 198 | S | 43.8 | Very low | 45.8 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -105.4 | 112.7 | -179.6 | -169.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 199 | H | 49.7 | Very low | 46.4 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 116 | 170.3 | -77.4 | -103.3 | 0 | 0 | 0 | 109.9 | L201 | H199-L201 PolarHBondContact O-N 2.98Š| ||
| 200 | Q | 58.8 | Low | 46.9 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -68.7 | 103.1 | 169 | -73.3 | -169.8 | 86.8 | 0 | 0 | 109.8 | ||||
| 201 | L | 55.6 | Low | 47.7 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 53% | 0.534 | 78% | 0.781 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 151.5 | 174 | -62.6 | 177.9 | 0 | 0 | 0 | 111 | H199 Y205 | H199-L201 PolarHBondContact O-N 2.98Å; L201-Y205 HydrophobicContact CB-CG 4.4Å; L201-Y205 HydrophobicContact CD1-CG 4.41Å |
| 202 | P | 60.3 | Low | 48.2 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 59% | 0.591 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 151 | 175.8 | -24.5 | 35 | 0 | 0 | 0 | 113 | G204 Y205 | P202-G204 PolarHBondContact O-N 3Å; P202-G204 VanDerWaalsContact O-N 3.14Å; P202-Y205 PolarHBondContact O-N 2.97Å |
| 203 | R | 48.2 | Very low | 49.3 | Very low | 265 Ų | 265 | 145.7 Ų | 145.7 | 100% | 1 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 120.3 | 173.3 | -94.5 | -173.1 | 168.8 | -160.9 | -4 | 110.3 | ||
| 204 | G | 57.7 | Low | 50 | Low | 79 Ų | 79 | 141.7 Ų | 141.7 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.1 | -19.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P202 | P202-G204 PolarHBondContact O-N 3Å; P202-G204 VanDerWaalsContact O-N 3.14Å |
| 205 | Y | 54.2 | Low | 49.9 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -91.8 | 141.8 | 173.8 | -70.8 | -95.7 | 0 | 0 | 0 | 111.6 | L201 P202 | L201-Y205 HydrophobicContact CB-CG 4.4Å; L201-Y205 HydrophobicContact CD1-CG 4.41Å; P202-Y205 PolarHBondContact O-N 2.97Å | ||
| 206 | I | 55.9 | Low | 50.1 | Low | 155 Ų | 155 | 144.4 Ų | 144.4 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | trans | -105.5 | 127.6 | 172.5 | -61.3 | 174.3 | 0 | 0 | 0 | 107.9 | I208 | I206-I208 PolarHBondContact O-N 3.33Š| ||
| 207 | S | 45.9 | Very low | 49.9 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -77.5 | 113.4 | 176.6 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 208 | I | 55.7 | Low | 49.5 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | -79.6 | 123.9 | 168 | -56 | 177.4 | 0 | 0 | 0 | 107.8 | I206 V210 | I206-I208 PolarHBondContact O-N 3.33Å; I208-V210 PolarHBondContact O-N 3.49Å | ||
| 209 | P | 50.3 | Low | 49.3 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -71.8 | 124.6 | 177 | 28.8 | -33.1 | 0 | 0 | 0 | 110.6 | I211 | P209-I211 PolarHBondContact O-N 2.89Š| ||
| 210 | V | 57.7 | Low | 48.6 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -78.8 | 101.8 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | I208 H212 | I208-V210 PolarHBondContact O-N 3.49Å; V210-H212 PolarHBondContact O-N 3.18Å | ||
| 211 | I | 47.4 | Very low | 47.5 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -66.2 | 110.5 | 168 | 30.9 | 174.1 | 0 | 0 | 0 | 109.6 | P209 | P209-I211 PolarHBondContact O-N 2.89Š| ||
| 212 | H | 46.9 | Very low | 46.9 | Very low | 167 Ų | 167 | 146 Ų | 146 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -90.2 | 101.9 | 165.6 | -93.6 | 65.3 | 0 | 0 | 0 | 108.8 | V210 Q214 | V210-H212 PolarHBondContact O-N 3.18Å; H212-Q214 PolarHBondContact O-N 3.37Å | ||
| 213 | E | 56.3 | Low | 46.4 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -79.4 | 33.6 | -173.7 | 62.4 | -171.6 | 89.7 | 0 | 0 | 115 | ||||
| 214 | Q | 49.6 | Very low | 45.6 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -148.7 | 114.7 | 172.9 | -160.4 | 164.1 | 65.4 | 0 | 0 | 113.7 | H212 | H212-Q214 PolarHBondContact O-N 3.37Š| ||
| 215 | N | 35.8 | Very low | 44.8 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -147.7 | 62.8 | 163.3 | -145.7 | -2.2 | 0 | 0 | 0 | 111.1 | ||||
| 216 | V | 37.3 | Very low | 44.2 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -83.8 | 112.6 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | R218 | V216-R218 PolarHBondContact O-N 3.05Å; V216-R218 VanDerWaalsContact O-N 3.12Å | ||
| 217 | T | 36.8 | Very low | 43.4 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -59.8 | 112.5 | -176.7 | -54.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 218 | R | 35.2 | Very low | 43 | Very low | 229 Ų | 229 | 145.5 Ų | 145.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -106.2 | 112.8 | 175.7 | -170.2 | -176.7 | -165.3 | -177.4 | 8.1 | 110.9 | V216 | V216-R218 PolarHBondContact O-N 3.05Å; V216-R218 VanDerWaalsContact O-N 3.12Å | ||
| 219 | P | 40.1 | Very low | 42.3 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 138.1 | 166.1 | 29.7 | -32.7 | 0 | 0 | 0 | 109.7 | ||||
| 220 | A | 35.7 | Very low | 41.8 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -105.7 | 130.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 221 | A | 35.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -144.4 | 141.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 222 | Q | 41.9 | Very low | 40.5 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -153.4 | 162.2 | -177.8 | -81.4 | -76.6 | -5.9 | 0 | 0 | 107 | ||||
| 223 | P | 50.1 | Low | 40 | Very low | 96 Ų | 96 | 156 Ų | 156 | 62% | 0.623 | 82% | 0.82 | S | S | * | * | cis | -123.7 | 176.4 | -14.2 | 39.7 | -26.2 | 0 | 0 | 0 | 112.5 | ||||
| 224 | S | 32.1 | Very low | 39.8 | Very low | 115 Ų | 115 | 151.9 Ų | 151.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -159.3 | 139.8 | 154.1 | -84.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 225 | F | 40.7 | Very low | 39.1 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -92.8 | 117.7 | 179 | -75.7 | -105 | 0 | 0 | 0 | 110.9 | ||||
| 226 | H | 42.2 | Very low | 39.4 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -140.5 | 102.4 | 158.4 | -82 | -66.1 | 0 | 0 | 0 | 113.1 | ||||
| 227 | Q | 38.8 | Very low | 39.4 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 13.8 | 109.4 | 140.1 | -169.2 | 172.7 | 43.8 | 0 | 0 | 117.4 | ||||
| 228 | A | 37.7 | Very low | 39.5 | Very low | 98 Ų | 98 | 149.4 Ų | 149.4 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -66.1 | 132.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 229 | Q | 39.4 | Very low | 39.7 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 152.9 | 165.1 | -69.2 | -153.9 | -7.3 | 0 | 0 | 111.4 | ||||
| 230 | K | 40.2 | Very low | 39.5 | Very low | 203 Ų | 203 | 153 Ų | 153 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -116.2 | 84.3 | -161.4 | -169.3 | 175.3 | -177.2 | 178.5 | 0 | 110.7 | H232 | K230-H232 PolarHBondContact O-N 3.14Š| ||
| 231 | T | 39.5 | Very low | 39.5 | Very low | 146 Ų | 146 | 155.2 Ų | 155.2 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 113.8 | 176.5 | 28.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 232 | H | 38.9 | Very low | 39.5 | Very low | 165 Ų | 165 | 156.6 Ų | 156.6 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 118.6 | -177.3 | -179.1 | -75.1 | 0 | 0 | 0 | 110 | K230 | K230-H232 PolarHBondContact O-N 3.14Š|
| 233 | Y | 37.1 | Very low | 39.5 | Very low | 219 Ų | 219 | 155 Ų | 155 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 133.5 | 170.9 | -117.9 | -91.8 | 0 | 0 | 0 | 110 | ||
| 234 | P | 50.8 | Low | 39.1 | Very low | 102 Ų | 102 | 158.3 Ų | 158.3 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 134.4 | -176.5 | 29.9 | -34.4 | 0 | 0 | 0 | 111.9 | ||
| 235 | A | 36 | Very low | 40 | Very low | 94 Ų | 94 | 157.6 Ų | 157.6 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 126.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 236 | Q | 41.5 | Very low | 40 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 131 | 164.8 | -75.8 | -75.7 | 29.7 | 0 | 0 | 109.4 | ||
| 237 | Q | 37.1 | Very low | 40 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 134.4 | 167.4 | -69.1 | -169.1 | -43.9 | 0 | 0 | 109.7 | ||
| 238 | G | 39.9 | Very low | 40.3 | Very low | 62 Ų | 62 | 155.5 Ų | 155.5 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -145.4 | 110.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y240 | G238-Y240 PolarHBondContact O-N 3.18Š| ||
| 239 | E | 38 | Very low | 40.3 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 108.4 | -172.6 | -65.7 | 163.9 | 113.2 | 0 | 0 | 111 | ||||
| 240 | Y | 36.3 | Very low | 40.5 | Very low | 228 Ų | 228 | 159 Ų | 159 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -92.7 | 100.3 | 171 | -93.4 | -88.4 | 0 | 0 | 0 | 111.2 | G238 | G238-Y240 PolarHBondContact O-N 3.18Š| ||
| 241 | Q | 37 | Very low | 40 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -73.5 | 123.7 | 173.1 | -177.2 | 175.4 | 70 | 0 | 0 | 110.6 | H243 | Q241-H243 PolarHBondContact O-CD2 3.46Å; Q241-H243 PolarHBondContact O-N 3.01Å; Q241-H243 PolarHBondContact OE1-NE2 3.06Å | ||
| 242 | T | 34.8 | Very low | 39.9 | Very low | 129 Ų | 129 | 153 Ų | 153 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -70 | 100.5 | 179 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 243 | H | 41.6 | Very low | 39.6 | Very low | 146 Ų | 146 | 152.3 Ų | 152.3 | 68% | 0.676 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 125 | 170 | -80.7 | -86.7 | 0 | 0 | 0 | 111.2 | Q241 | Q241-H243 PolarHBondContact O-CD2 3.46Å; Q241-H243 PolarHBondContact O-N 3.01Å; Q241-H243 PolarHBondContact OE1-NE2 3.06Å |
| 244 | Q | 40.6 | Very low | 39.5 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 121.9 | 175.5 | -74.6 | -80.1 | 9.5 | 0 | 0 | 110.3 | V246 | Q244-V246 PolarHBondContact O-N 3.46Š|
| 245 | P | 52.5 | Low | 38.7 | Very low | 101 Ų | 101 | 155.2 Ų | 155.2 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 121.2 | 173.2 | 29.5 | -32.3 | 0 | 0 | 0 | 111.2 | Y247 | P245-Y247 PolarHBondContact O-N 3.09Š|
| 246 | V | 40.9 | Very low | 38.8 | Very low | 116 Ų | 116 | 158.8 Ų | 158.8 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | trans | -78 | 111 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | Q244 H248 | Q244-V246 PolarHBondContact O-N 3.46Å; V246-H248 PolarHBondContact O-N 3.37Å; V246-H248 VanDerWaalsContact O-N 3.09Å; V246-H248 PolarHBondContact O-ND1 2.83Å; V246-H248 VanDerWaalsContact O-ND1 3.09Å | ||
| 247 | Y | 40.4 | Very low | 39 | Very low | 224 Ų | 224 | 155.2 Ų | 155.2 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -62.8 | 108.3 | 172.5 | -85.1 | -89 | 0 | 0 | 0 | 111.6 | P245 | P245-Y247 PolarHBondContact O-N 3.09Š| ||
| 248 | H | 46.2 | Very low | 38.8 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | trans | -79 | 122.3 | 166.6 | -73.4 | 63 | 0 | 0 | 0 | 109.2 | V246 I250 | V246-H248 PolarHBondContact O-N 3.37Å; V246-H248 VanDerWaalsContact O-N 3.09Å; V246-H248 PolarHBondContact O-ND1 2.83Å; V246-H248 VanDerWaalsContact O-ND1 3.09Å; H248-I250 PolarHBondContact O-N 2.85Å | ||
| 249 | K | 38.5 | Very low | 39 | Very low | 183 Ų | 183 | 159.5 Ų | 159.5 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -69.9 | 107.3 | 170.7 | -88.3 | 175 | 160.3 | -75.2 | 0 | 109.5 | Q251 | K249-Q251 PolarHBondContact O-N 3.37Š| ||
| 250 | I | 42.4 | Very low | 38.7 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -80 | 109.3 | 154.3 | -59.8 | 178.5 | 0 | 0 | 0 | 106.1 | H248 | H248-I250 PolarHBondContact O-N 2.85Š| ||
| 251 | Q | 30.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 128.7 | 174.8 | -178.2 | 162.6 | -28.5 | 0 | 0 | 107.4 | K249 | K249-Q251 PolarHBondContact O-N 3.37Š|
| 252 | G | 36.7 | Very low | 38.3 | Very low | 69 Ų | 69 | 155.2 Ų | 155.2 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 138.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 253 | D | 33.4 | Very low | 38.2 | Very low | 150 Ų | 150 | 153.8 Ų | 153.8 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 130.5 | 173.3 | -75.9 | -92.6 | 0 | 0 | 0 | 111.7 | ||
| 254 | D | 34 | Very low | 37.6 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 125.7 | 175.5 | -174.5 | -129.3 | 0 | 0 | 0 | 108.3 | ||
| 255 | W | 34.2 | Very low | 38.3 | Very low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -107.9 | 141.3 | 178.5 | -84.8 | 94.8 | 0 | 0 | 0 | 111.6 | ||||
| 256 | E | 38.3 | Very low | 37.4 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 87.2 | 150.2 | 171.4 | -65.7 | -128 | 66.7 | 0 | 0 | 118.9 | ||||
| 257 | P | 44.5 | Very low | 37.2 | Very low | 110 Ų | 110 | 158.8 Ų | 158.8 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | trans | -113.2 | 165.2 | -140.8 | 40.8 | -34.4 | 0 | 0 | 0 | 116.7 | ||||
| 258 | R | 32.8 | Very low | 37 | Very low | 232 Ų | 232 | 152.8 Ų | 152.8 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -80.9 | 154.2 | 163.5 | -120.3 | -175.4 | -74.2 | -156.1 | -6.4 | 110.6 | ||||
| 259 | P | 44.8 | Very low | 37.7 | Very low | 110 Ų | 110 | 150.3 Ų | 150.3 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -135.9 | 162.2 | 60.3 | 33.7 | -13.8 | 0 | 0 | 0 | 114.2 | |||||
| 260 | L | 32.9 | Very low | 37.5 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | -171.3 | -171.8 | 78.9 | -96.4 | 170.9 | 0 | 0 | 0 | 113.1 | |||||
| 261 | R | 31.4 | Very low | 37.2 | Very low | 235 Ų | 235 | 147.3 Ų | 147.3 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -106.2 | 136.8 | -171.5 | -67.1 | 174.4 | -81.6 | 158.6 | -7 | 114.5 | ||||
| 262 | A | 33.1 | Very low | 37.2 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -166.2 | 129.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 263 | A | 31.6 | Very low | 37 | Very low | 100 Ų | 100 | 146 Ų | 146 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | cis | 94.4 | 95.4 | 48 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 264 | S | 29.4 | Very low | 37.1 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -31.8 | -179.3 | 149.8 | -101.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 265 | P | 55.8 | Low | 37.1 | Very low | 94 Ų | 94 | 142 Ų | 142 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | cis | -143.3 | -176.9 | -21 | 31 | -8 | 0 | 0 | 0 | 115.8 | ||||
| 266 | F | 33.6 | Very low | 37.6 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | 65 | 166.6 | 167.9 | -67.2 | -76.7 | 0 | 0 | 0 | 116.6 | ||||
| 267 | R | 35.6 | Very low | 37.3 | Very low | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | cis | -146.3 | 159.3 | 8 | -157.8 | -170.1 | -74.7 | -118.4 | -1.6 | 111.6 | ||||
| 268 | S | 37.3 | Very low | 36.8 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -89.7 | -166.9 | 164.6 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 269 | P | 60.1 | Low | 37.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -134.7 | -163.9 | -6.7 | 40.9 | -21.3 | 0 | 0 | 0 | 113.8 | ||||
| 270 | V | 34.3 | Very low | 37.8 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 167.9 | 133.8 | 125.7 | 156.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 271 | Q | 37.3 | Very low | 37.8 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | 4 | 152 | 151.8 | -66.6 | 161.2 | -21.1 | 0 | 0 | 120.4 | ||||
| 272 | S | 29.4 | Very low | 38.1 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | -174.6 | 177.4 | 5.9 | -104.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 273 | A | 33.9 | Very low | 38.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | cis | 179.2 | -163.3 | -27.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 274 | S | 35.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 80.9 | 139.7 | 169.7 | -165.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 275 | S | 34.1 | Very low | 38.4 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | -168.6 | 167.1 | -26.4 | -168 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 276 | R | 43.5 | Very low | 38 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 71.4 | 115.4 | 172.7 | -54.3 | -155.6 | 108.3 | 155.4 | 5.4 | 115.7 | ||||
| 277 | E | 33.1 | Very low | 38 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | 76.1 | 123.1 | 70.2 | -70.4 | 176.7 | 98.6 | 0 | 0 | 112.6 | |||||
| 278 | G | 33.5 | Very low | 37.8 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | cis | -172.7 | -169.6 | 0.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 279 | S | 42.3 | Very low | 37.6 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -123.7 | 172.8 | 177.8 | -48.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 280 | P | 55.6 | Low | 37.1 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | -145.3 | 170.5 | 100.5 | 37.4 | -22 | 0 | 0 | 0 | 115.2 | |||||
| 281 | A | 33.7 | Very low | 37.1 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -104.5 | 169.1 | -169 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 282 | R | 38.9 | Very low | 37.7 | Very low | 233 Ų | 233 | 129.1 Ų | 129.1 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -142 | 112.2 | 154.2 | -81.6 | -167.2 | 167.8 | -167.2 | -6.2 | 107.1 | ||||
| 283 | S | 32.4 | Very low | 38 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | 66.3 | 128.6 | 78.1 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 284 | S | 31.7 | Very low | 38.3 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | cis | -161.8 | 177 | -4.4 | -82.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 285 | T | 35.9 | Very low | 38.2 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -94.6 | -159.1 | -178 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 286 | P | 46.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | -121.5 | -179.5 | -104.5 | 38.7 | -20.2 | 0 | 0 | 0 | 114.9 | |||||
| 287 | L | 33.6 | Very low | 37.8 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -136.7 | 172.6 | 171.4 | -78.8 | 178.4 | 0 | 0 | 0 | 113.7 | ||||
| 288 | H | 31.8 | Very low | 37.7 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -84.2 | 166.7 | -152 | -116 | 146.5 | 0 | 0 | 0 | 118.1 | ||||
| 289 | S | 33.4 | Very low | 37.8 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -64.5 | -178.3 | 161.9 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 290 | P | 49.2 | Very low | 37.2 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | cis | -146 | -161.8 | 22 | 44.4 | -21.7 | 0 | 0 | 0 | 117.9 | ||||
| 291 | S | 34.9 | Very low | 36.3 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -87.9 | 175.7 | -168.3 | -44.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 292 | P | 49.8 | Very low | 37.1 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -97.3 | 178.1 | -159 | 39.1 | -37.4 | 0 | 0 | 0 | 117.4 | ||||
| 293 | I | 36.3 | Very low | 36.8 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 92% | 0.923 | 76% | 0.762 | S | S | * | * | trans | -123.2 | 166.8 | -174.6 | -82.6 | 175.6 | 0 | 0 | 0 | 112.7 | ||||
| 294 | R | 38.4 | Very low | 36.9 | Very low | 193 Ų | 193 | 139 Ų | 139 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -125.8 | 141.7 | -161 | 162.2 | -149.2 | -81.4 | -114.9 | 0.9 | 114 | H296 | R294-H296 PolarHBondContact NH1-NE2 2.86Š| ||
| 295 | V | 33.7 | Very low | 37.8 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -151 | 145 | 148.1 | -74.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 296 | H | 34.5 | Very low | 37.7 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 60% | 0.597 | 76% | 0.756 | S | S | * | * | cis | 77.9 | 139.6 | 35.5 | -75 | -74.9 | 0 | 0 | 0 | 115.7 | R294 | R294-H296 PolarHBondContact NH1-NE2 2.86Š| ||
| 297 | T | 34.3 | Very low | 37 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -179.5 | 152.5 | -32.1 | 17.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 298 | V | 32.1 | Very low | 36.9 | Very low | 143 Ų | 143 | 138 Ų | 138 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -178.2 | 160.1 | 163.4 | 126.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 299 | V | 35 | Very low | 36.8 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | cis | -118.5 | 139.5 | 13.6 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 300 | D | 29.6 | Very low | 36.6 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 56.8 | 165.8 | 93.5 | -134.3 | -92.6 | 0 | 0 | 0 | 120.4 | |||||
| 301 | R | 36.3 | Very low | 35.7 | Very low | 169 Ų | 169 | 144 Ų | 144 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | trans | -122.5 | -132.7 | -139.9 | -139.7 | 176.4 | 49.2 | 92 | 4 | 113.5 | ||||
| 302 | P | 52.1 | Low | 35.6 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | cis | -138.7 | 155.1 | -5.5 | 44.6 | -25.4 | 0 | 0 | 0 | 119.1 | ||||
| 303 | Q | 31.9 | Very low | 35.4 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | trans | 63.8 | 150.7 | 164.1 | -39.1 | -62.9 | 40.3 | 0 | 0 | 120.6 | ||||
| 304 | Q | 33.6 | Very low | 35 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | 80.1 | 156.6 | 14.5 | -67.2 | -84.2 | -21.1 | 0 | 0 | 116.6 | ||||
| 305 | P | 52.1 | Low | 35.4 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | cis | -143.2 | -179.2 | 9.6 | 44.9 | -26.5 | 0 | 0 | 0 | 119.6 | ||||
| 306 | M | 32.4 | Very low | 35.2 | Very low | 155 Ų | 155 | 139 Ų | 139 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 172.6 | 154.1 | -76.6 | -69.3 | 167.6 | 0 | 0 | 118.4 | ||||
| 307 | T | 31.2 | Very low | 36 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | cis | -137.7 | -137 | 14.7 | -34.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 308 | H | 32.7 | Very low | 35.9 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | -157.3 | 171.6 | -166.1 | 54.3 | -134.3 | 0 | 0 | 0 | 117 | ||||
| 309 | R | 29.7 | Very low | 35.8 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | 102 | 166.1 | 145.5 | -153.8 | 162 | -173.1 | 171.8 | 2.8 | 120.4 | ||||
| 310 | E | 28.5 | Very low | 36.1 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | trans | -139.7 | 143.9 | -143.9 | 157.1 | -163.7 | 68.8 | 0 | 0 | 111.9 | ||||
| 311 | S | 30.1 | Very low | 37.1 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | 155.3 | 153.8 | 145.8 | -72.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 312 | A | 32.8 | Very low | 36.9 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | trans | -116.9 | 178.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 313 | P | 45.8 | Very low | 36 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | -153.9 | 173.6 | 50.8 | 44.3 | -22.7 | 0 | 0 | 0 | 119.5 | |||||
| 314 | V | 29.3 | Very low | 36.6 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | 41.1 | 134.2 | 135 | 172.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 315 | P | 46.2 | Very low | 37.3 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | cis | -144.4 | -174.2 | 48.4 | 33.4 | -9 | 0 | 0 | 0 | 119.2 | ||||
| 316 | Q | 30 | Very low | 36.1 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -103 | -178 | 171.2 | -68.2 | -167.4 | -27.2 | 0 | 0 | 113.1 | ||||
| 317 | P | 51.8 | Low | 36.9 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | -149.2 | 162.1 | 98.1 | 40.5 | -24.8 | 0 | 0 | 0 | 118.2 | |||||
| 318 | E | 30.3 | Very low | 37 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 61 | 151.7 | 148.6 | -72.4 | 173.8 | 91.9 | 0 | 0 | 121.2 | ||||
| 319 | N | 30.6 | Very low | 37.1 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | cis | -147.9 | 173.3 | 1.1 | -135.6 | -42.9 | 0 | 0 | 0 | 113.7 | ||||
| 320 | K | 41.3 | Very low | 37.9 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | trans | -91.4 | -175.1 | 178.3 | -112.8 | -163.2 | 62.5 | 176.8 | 0 | 111.9 | E322 | K320-E322 VanDerWaalsContact CE-OE1 3.23Å; K320-E322 WeakPolarHBondContact CE-OE1 3.25Å; K320-E322 WeakPolarHBondContact CE-OE2 3.15Å; K320-E322 IonicContact NZ-OE1 2.66Å; K320-E322 PolarHBondContact NZ-OE1 3.42Å; K320-E322 IonicContact NZ-OE2 2.76Å; K320-E322 PolarHBondContact NZ-OE2 3.29Å | ||
| 321 | P | 51.8 | Low | 38 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -119 | -170.8 | 3.3 | 47.2 | -34.1 | 0 | 0 | 0 | 112.5 | ||||
| 322 | E | 31.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | cis | -148 | -162.8 | 0.2 | -148.6 | 31.2 | 99.5 | 0 | 0 | 106.5 | K320 | K320-E322 VanDerWaalsContact CE-OE1 3.23Å; K320-E322 WeakPolarHBondContact CE-OE1 3.25Å; K320-E322 WeakPolarHBondContact CE-OE2 3.15Å; K320-E322 IonicContact NZ-OE1 2.66Å; K320-E322 PolarHBondContact NZ-OE1 3.42Å; K320-E322 IonicContact NZ-OE2 2.76Å; K320-E322 PolarHBondContact NZ-OE2 3.29Å | ||
| 323 | S | 32.8 | Very low | 39.1 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | -148.7 | -170.7 | 10.7 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 324 | K | 44.5 | Very low | 39 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -149.1 | 172.3 | -178.9 | -78.2 | -170.9 | 177.3 | -178.7 | 0 | 112.1 | ||||
| 325 | P | 47.2 | Very low | 39.2 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | cis | -125.8 | 177.7 | -1 | 34.5 | -15.6 | 0 | 0 | 0 | 115.5 | ||||
| 326 | G | 28.5 | Very low | 38.7 | Very low | 69 Ų | 69 | 129.6 Ų | 129.6 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -93.9 | -149.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 327 | P | 47.6 | Very low | 39 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | cis | -132.8 | 168.1 | 15.3 | 42.2 | -26.7 | 0 | 0 | 0 | 116.8 | ||||
| 328 | V | 33.8 | Very low | 38.4 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -135 | 140.2 | 156.3 | 166.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 329 | G | 35.9 | Very low | 39 | Very low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -93 | 166.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 330 | P | 46.5 | Very low | 39.2 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -105.6 | 179.6 | -173.3 | 42.4 | -37.1 | 0 | 0 | 0 | 114.9 | ||||
| 331 | E | 29.6 | Very low | 39 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | 75 | 110.5 | 157.8 | -70.9 | -165.2 | 85 | 0 | 0 | 122.7 | ||||
| 332 | L | 39.9 | Very low | 38.4 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 76.3 | 149.5 | 129.8 | -62.4 | -179.9 | 0 | 0 | 0 | 122.1 | |||||
| 333 | P | 46.7 | Very low | 38.5 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -110.5 | 156.5 | -170.7 | 41.3 | -33.1 | 0 | 0 | 0 | 115.4 | ||||
| 334 | P | 42.9 | Very low | 38.6 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -137.6 | 160.4 | 148.4 | 38.2 | -24.8 | 0 | 0 | 0 | 114.4 | ||||
| 335 | G | 33.3 | Very low | 38 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 92.9 | 112.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 336 | H | 36.7 | Very low | 37.5 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | cis | 66.4 | 97.2 | 45.9 | -154.4 | 85 | 0 | 0 | 0 | 112.7 | ||||
| 337 | V | 36.3 | Very low | 37.5 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -120 | 114.7 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 338 | P | 38.9 | Very low | 36.8 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | trans | -80.9 | 149.3 | -179.7 | 31.8 | -34.2 | 0 | 0 | 0 | 112.5 | Q340 | P338-Q340 PolarHBondContact O-N 2.79Š| ||
| 339 | I | 43 | Very low | 36.7 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -68.7 | 121.1 | 175.8 | -61.3 | 171.2 | 0 | 0 | 0 | 109.3 | V341 | I339-V341 PolarHBondContact O-N 2.73Š| ||
| 340 | Q | 33.9 | Very low | 36.9 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -78 | 108.2 | 178.6 | -69.4 | -168 | 60.9 | 0 | 0 | 111.4 | P338 I342 | P338-Q340 PolarHBondContact O-N 2.79Å; Q340-I342 PolarHBondContact O-N 3.34Å | ||
| 341 | V | 37.8 | Very low | 36 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -80.3 | 104.7 | 170.3 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | I339 R343 | I339-V341 PolarHBondContact O-N 2.73Å; V341-R343 HydrophobicContact CG1-CG 4.24Å; V341-R343 PolarHBondContact O-N 2.97Å | ||
| 342 | I | 38.5 | Very low | 36.2 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -72.9 | 90.9 | 177.1 | -55.4 | 177.2 | 0 | 0 | 0 | 109.5 | Q340 | Q340-I342 PolarHBondContact O-N 3.34Š| ||
| 343 | R | 35.3 | Very low | 35.8 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 131.8 | 160.9 | -62.4 | -172.6 | -178.5 | -167.5 | 1.5 | 108.8 | V341 | V341-R343 HydrophobicContact CG1-CG 4.24Å; V341-R343 PolarHBondContact O-N 2.97Å | ||
| 344 | K | 34.9 | Very low | 34.9 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -124.1 | 83 | 173.6 | -167.8 | 169.8 | -175.7 | 174.8 | 0 | 109.9 | ||||
| 345 | E | 30.6 | Very low | 34.7 | Very low | 169 Ų | 169 | 146 Ų | 146 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -84.5 | 171.2 | 170.2 | -68.2 | -175.5 | 74.5 | 0 | 0 | 110.7 | ||||
| 346 | A | 37.2 | Very low | 35.4 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -124.3 | 157.5 | -161.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 347 | D | 29.6 | Very low | 35.6 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -150.7 | 139.9 | 176.4 | -175.8 | -99.9 | 0 | 0 | 0 | 108 | ||||
| 348 | S | 31.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | cis | -149.1 | 174.6 | -15.5 | -114.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 349 | K | 32 | Very low | 36 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -84.1 | 174 | -176.1 | -80.6 | 171.2 | -177.6 | 168.3 | 0 | 112.8 | ||||
| 350 | P | 39.1 | Very low | 35.4 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | cis | -128.1 | -172.4 | 17.8 | 40 | -19.2 | 0 | 0 | 0 | 114.1 | ||||
| 351 | V | 28.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | cis | -162.9 | 163.1 | 34.1 | 75.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 352 | S | 32.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 69.6 | 165.4 | 162.6 | -71.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 353 | Q | 31.9 | Very low | 35.1 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -144.4 | 151.9 | -159.5 | -55 | 175.5 | 0 | 0 | 0 | 112.9 | ||||
| 354 | K | 28.4 | Very low | 35 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | 39.3 | 135.8 | 135.9 | -165 | 174 | -176.9 | 177.9 | 0 | 119.3 | ||||
| 355 | P | 38.1 | Very low | 34.9 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | cis | -136.7 | 178.6 | 33.5 | 27.3 | -3 | 0 | 0 | 0 | 116.8 | ||||
| 356 | P | 49.3 | Very low | 35.1 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -93.6 | 136.9 | 169.5 | 35.9 | -32.5 | 0 | 0 | 0 | 113.8 | ||||
| 357 | P | 40.2 | Very low | 36 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -144.3 | -169.4 | 143 | 39.6 | -22.9 | 0 | 0 | 0 | 111.6 | ||||
| 358 | P | 41.5 | Very low | 37.1 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -124.6 | -172.9 | -65.5 | 39.9 | -25.8 | 0 | 0 | 0 | 111.8 | |||||
| 359 | S | 41 | Very low | 37 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 144.1 | 167.7 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 360 | E | 31.8 | Very low | 36.9 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -91.3 | 152.7 | 174.5 | -166.6 | 165.5 | 114.2 | 0 | 0 | 112.6 | ||||
| 361 | K | 34.4 | Very low | 36.8 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | -118.7 | 147.8 | -176 | -67.6 | 167.9 | 65.4 | -159.3 | 0 | 112 | E363 | K361-E363 VanDerWaalsContact CE-OE2 3.26Å; K361-E363 WeakPolarHBondContact CE-OE2 3.32Å; K361-E363 IonicContact NZ-OE2 2.6Å; K361-E363 PolarHBondContact NZ-OE2 2.99Å | ||
| 362 | V | 36 | Very low | 37.3 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -140.6 | 101.5 | 144.8 | 179.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 363 | E | 33.3 | Very low | 37.2 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | cis | 64 | 120.9 | 47.4 | -165.5 | 132.5 | 123.8 | 0 | 0 | 111.6 | K361 | K361-E363 VanDerWaalsContact CE-OE2 3.26Å; K361-E363 WeakPolarHBondContact CE-OE2 3.32Å; K361-E363 IonicContact NZ-OE2 2.6Å; K361-E363 PolarHBondContact NZ-OE2 2.99Å | ||
| 364 | V | 33.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | cis | -133.8 | 156 | 21.5 | -161.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 365 | K | 31.9 | Very low | 38.2 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | 177.9 | 156.1 | 71.1 | -161.8 | 153.8 | -177.3 | 173.8 | 0 | 110.7 | |||||
| 366 | V | 35.9 | Very low | 38.3 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -111.1 | 155.3 | -159.6 | -109.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 367 | P | 55.6 | Low | 37.8 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -112.1 | 172.2 | -176.5 | 43.2 | -36.1 | 0 | 0 | 0 | 114.8 | ||||
| 368 | P | 52.8 | Low | 38.1 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -78.5 | -173.6 | 154.2 | 35.1 | -31.6 | 0 | 0 | 0 | 111.6 | ||||
| 369 | A | 30.2 | Very low | 37.7 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -128.9 | 165.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 370 | S | 29.5 | Very low | 38.3 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 171 | 150.5 | 121.2 | -73.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 371 | V | 36 | Very low | 38.3 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -94.7 | 167.9 | 163.4 | -88.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 372 | P | 39.3 | Very low | 38.2 | Very low | 123 Ų | 123 | 121 Ų | 121 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | cis | -140.1 | -165.9 | 22.1 | 42.3 | -21.2 | 0 | 0 | 0 | 116.6 | ||||
| 373 | C | 30.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -59 | 161.2 | 165.2 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 374 | P | 43.7 | Very low | 39.2 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | -147 | -166.9 | 46.5 | 42.9 | -21.5 | 0 | 0 | 0 | 117 | ||||
| 375 | S | 37.8 | Very low | 39.1 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -72.6 | 154.4 | 171.7 | -164.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 376 | P | 40.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 116 Ų | 116 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | -149.4 | 163.8 | 96.2 | 40.9 | -25.5 | 0 | 0 | 0 | 116.3 | |||||
| 377 | S | 39.7 | Very low | 40.2 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -74.6 | 153.6 | 156.4 | -48.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 378 | P | 45.6 | Very low | 39.1 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -155.3 | 168.1 | 95.4 | 40.3 | -23.3 | 0 | 0 | 0 | 116.4 | |||||
| 379 | G | 33 | Very low | 38.1 | Very low | 69 Ų | 69 | 120.4 Ų | 120.4 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 108 | 161.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 380 | P | 54.8 | Low | 38.3 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -139.6 | 177.9 | -135.4 | 41.3 | -23.1 | 0 | 0 | 0 | 117.1 | ||||
| 381 | S | 31.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 76.5 | 117.9 | 150.6 | -160.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 382 | A | 30.6 | Very low | 38.5 | Very low | 95 Ų | 95 | 118.4 Ų | 118.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | -173.3 | 113.2 | 123.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 383 | V | 39.7 | Very low | 38.1 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -101 | 171.5 | 148.8 | -68.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 384 | P | 52.2 | Low | 38.1 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -133.1 | -174.9 | 3.7 | 42.8 | -26.7 | 0 | 0 | 0 | 114.2 | ||||
| 385 | S | 29.6 | Very low | 37.6 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 171.4 | 133.1 | 118.9 | -74.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 386 | S | 34.7 | Very low | 37.4 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -105.1 | -163.9 | 160.4 | -38.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 387 | P | 56 | Low | 37.3 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | -132.6 | 178.1 | -22.3 | 40.5 | -25.9 | 0 | 0 | 0 | 113.3 | ||||
| 388 | K | 32.8 | Very low | 37.6 | Very low | 206 Ų | 206 | 125.3 Ų | 125.3 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -163.8 | 155.1 | 130.5 | -120.9 | 172.5 | -178.5 | 175.2 | 0 | 114.1 | ||||
| 389 | N | 32.8 | Very low | 36.9 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -114.3 | 157.8 | -175.9 | -38.3 | -72.2 | 0 | 0 | 0 | 111.5 | ||||
| 390 | V | 34.1 | Very low | 36.9 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -141.8 | 138.8 | 149.8 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 391 | A | 32.8 | Very low | 36 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | -118.3 | 173.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 392 | A | 36.2 | Very low | 36.4 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | cis | -150.2 | -159.3 | 13.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 393 | E | 31.6 | Very low | 36.8 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | cis | -146.5 | -159.2 | -1.7 | -143.3 | 103 | 57.7 | 0 | 0 | 106.1 | ||||
| 394 | E | 30.5 | Very low | 36.5 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 66% | 0.659 | 79% | 0.791 | S | S | * | * | cis | -142 | 162.7 | 4.4 | -147.5 | -147.5 | 155.9 | 0 | 0 | 110.8 | ||||
| 395 | R | 33.6 | Very low | 35.7 | Very low | 208 Ų | 208 | 130.6 Ų | 130.6 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 8.7 | 138.5 | 141.8 | -170.3 | -178.1 | -173.8 | -174.1 | 3.9 | 119.7 | ||||
| 396 | A | 33 | Very low | 36.4 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | cis | -164.3 | 159.4 | -15.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 397 | A | 37.8 | Very low | 36.8 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -91 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 398 | P | 45.7 | Very low | 36.2 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -141.5 | 132.3 | 85.3 | 36.7 | -21.4 | 0 | 0 | 0 | 116.9 | |||||
| 399 | S | 31.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 28.5 | 111.7 | 138.3 | 179.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 400 | T | 32.3 | Very low | 37 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -126 | 167.2 | 136.9 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 401 | A | 36.7 | Very low | 37 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 164.1 | -157.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 402 | P | 40.3 | Very low | 37.7 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 152.9 | -177.9 | -17.6 | 31.9 | 0 | 0 | 0 | 114.2 | ||
| 403 | V | 38.9 | Very low | 38 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 131.3 | 167.4 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 404 | E | 33.9 | Very low | 39 | Very low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.5 | 176.2 | -166.5 | 162.3 | 104.4 | 0 | 0 | 111.5 | ||
| 405 | A | 35.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 132.2 | -155.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P407 | A405-P407 WeakPolarHBondContact O-CD 3.31Š|
| 406 | T | 43.2 | Very low | 42.2 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 120.2 | 162.6 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 407 | P | 43.5 | Very low | 44.4 | Very low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 140.1 | 169.4 | 32.8 | -32.7 | 0 | 0 | 0 | 111 | A405 | A405-P407 WeakPolarHBondContact O-CD 3.31Š|
| 408 | P | 43.2 | Very low | 46.6 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 140.1 | -177 | 31.9 | -34.7 | 0 | 0 | 0 | 113.7 | ||
| 409 | K | 37.6 | Very low | 48.7 | Very low | 188 Ų | 188 | 120.8 Ų | 120.8 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 151.9 | 142.7 | -105.5 | -171.8 | 173 | -176.4 | 0 | 107.6 | ||
| 410 | P | 43.9 | Very low | 51.6 | Low | 134 Ų | 134 | 119.3 Ų | 119.3 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | cis | -122.8 | 129.3 | 32.3 | 36 | -21.5 | 0 | 0 | 0 | 114.9 | ||||
| 411 | G | 35.6 | Very low | 54.5 | Low | 57 Ų | 57 | 112.6 Ų | 112.6 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | trans | -133.5 | 124.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | A413 | G411-A413 VanDerWaalsContact C-N 3.29Å; G411-A413 PolarHBondContact O-N 3.24Å | ||
| 412 | E | 46.8 | Very low | 57.2 | Low | 198 Ų | 198 | 109.5 Ų | 109.5 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | trans | -80.3 | 83.3 | 175.4 | -166.9 | 167.6 | 159.3 | 0 | 0 | 108.3 | E414 | E412-E414 VanDerWaalsContact C-N 3.33Å; E412-E414 PolarHBondContact O-N 2.87Å | ||
| 413 | A | 43 | Very low | 59.8 | Low | 95 Ų | 95 | 107.2 Ų | 107.2 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | -68.9 | 94.9 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | G411 A415 | G411-A413 VanDerWaalsContact C-N 3.29Å; G411-A413 PolarHBondContact O-N 3.24Å; A413-A415 PolarHBondContact O-N 2.87Å; A413-A415 VanDerWaalsContact O-N 3.15Å | ||
| 414 | E | 51.6 | Low | 62.6 | Low | 171 Ų | 171 | 106 Ų | 106 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | trans | -43.9 | 119.3 | 170.1 | -172.9 | -175.7 | 157.2 | 0 | 0 | 109.1 | E412 | E412-E414 VanDerWaalsContact C-N 3.33Å; E412-E414 PolarHBondContact O-N 2.87Å | ||
| 415 | A | 62.7 | Low | 65.6 | Low | 73 Ų | 73 | 96.9 Ų | 96.9 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | trans | -61 | 128.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | A413 | A413-A415 PolarHBondContact O-N 2.87Å; A413-A415 VanDerWaalsContact O-N 3.15Å | ||
| 416 | P | 69.3 | Low | 68.5 | Low | 112 Ų | 112 | 96.5 Ų | 96.5 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -55.4 | 132.7 | -172.1 | 21.7 | -33.4 | 0 | 0 | 0 | 109.8 | K418 | P416-K418 PolarHBondContact O-N 2.88Š| ||
| 417 | P | 79.4 | Confident | 71.1 | Confident | 113 Ų | 113 | 92.6 Ų | 92.6 | 73% | 0.734 | 54% | 0.541 | S | S | * | . | trans | -55 | 115.9 | -161.6 | 15.9 | -30.6 | 0 | 0 | 0 | 111.6 | ||||
| 418 | K | 84.3 | Confident | 73.6 | Confident | 107 Ų | 107 | 87.9 Ų | 87.9 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | trans | -54.8 | 139.9 | -178.8 | -70.3 | 177.9 | 173.6 | 178.4 | 0 | 109.9 | P416 L423 E426 | P416-K418 PolarHBondContact O-N 2.88Å; K418-L423 HydrophobicContact CB-CD1 4.21Å; K418-L423 HydrophobicContact CB-CD2 3.81Å; K418-L423 HydrophobicContact CB-CG 3.78Å; K418-L423 HydrophobicContact CD-CD2 3.67Å; K418-L423 HydrophobicContact CD-CG 4.5Å; K418-L423 HydrophobicContact CG-CD2 4.42Å; K418-E426 WeakPolarHBondContact CD-OE2 3.4Å; K418-E426 WeakPolarHBondContact CE-OE2 3.27Å; K418-E426 IonicContact NZ-OE1 3.53Å; K418-E426 PolarHBondContact NZ-OE1 3.44Å; K418-E426 IonicContact NZ-OE2 3.19Å; K418-E426 PolarHBondContact NZ-OE2 2.93Å | ||
| 419 | H | 89.4 | Confident | 76.2 | Confident | 21 Ų | 21 | 84.3 Ų | 84.3 | 10% | 0.097 | 48% | 0.484 | C | S | . | . | trans | -62.1 | 142.4 | 179.7 | -157.3 | -126.5 | 0 | 0 | 0 | 111.1 | G421 V422 L423 E471 R473 V476 | H419-G421 PolarHBondContact ND1-N 2.76Å; H419-G421 PolarHBondContact O-N 2.87Å; H419-G421 VanDerWaalsContact O-N 3.15Å; H419-V422 HydrophobicContact CB-CB 4.13Å; H419-V422 HydrophobicContact CB-CG2 3.92Å; H419-V422 WeakPolarHBondContact O-CA 3.41Å; H419-V422 PolarHBondContact O-N 2.83Å; H419-L423 WeakPolarHBondContact O-CG 3.3Å; H419-L423 PolarHBondContact O-N 2.72Å; H419-E471 VanDerWaalsContact CE1-CD 3.49Å; H419-E471 IonicContact CE1-OE1 3.75Å; H419-E471 PolarHBondContact CE1-OE1 3.29Å; H419-E471 IonicContact CE1-OE2 2.71Å; H419-E471 PolarHBondContact CE1-OE2 2.89Å; H419-E471 IonicContact NE2-OE2 3.91Å; H419-R473 PolarHBondContact CD2-NH1 2.54Å; H419-R473 VanDerWaalsContact CG-CZ 3.47Å; H419-V476 HydrophobicContact CB-CG2 4.34Å; H419-V476 WeakPolarHBondContact ND1-CG2 3.4Å | ||
| 420 | P | 91.4 | Very high | 79.1 | Confident | 78 Ų | 78 | 82.1 Ų | 82.1 | 51% | 0.506 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -50 | -37.1 | 166.7 | 18.2 | -33.3 | 0 | 0 | 0 | 112.8 | K424 | P420-K424 VanDerWaalsContact O-CG 3.3Å; P420-K424 WeakPolarHBondContact O-CG 3.37Å; P420-K424 PolarHBondContact O-N 3Å |
| 421 | G | 93.5 | Very high | 81.6 | Confident | 1 Ų | 1 | 80.6 Ų | 80.6 | 1% | 0.01 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H419 V425 | H419-G421 PolarHBondContact ND1-N 2.76Å; H419-G421 PolarHBondContact O-N 2.87Å; H419-G421 VanDerWaalsContact O-N 3.15Å; G421-V425 WeakPolarHBondContact O-CG2 3.23Å; G421-V425 PolarHBondContact O-N 2.89Å |
| 422 | V | 95.1 | Very high | 84.6 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.6 | -42.7 | 175.7 | 174 | 0 | 0 | 0 | 0 | 110.3 | H419 K424 V425 E426 D475 V476 | H419-V422 HydrophobicContact CB-CB 4.13Å; H419-V422 HydrophobicContact CB-CG2 3.92Å; H419-V422 WeakPolarHBondContact O-CA 3.41Å; H419-V422 PolarHBondContact O-N 2.83Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 2.71Å; V422-V425 CarbonylContact O-C 3.58Å; V422-V425 PolarHBondContact O-N 3.3Å; V422-V425 VanDerWaalsContact O-N 3.11Å; V422-E426 WeakPolarHBondContact O-CB 3.48Å; V422-E426 PolarHBondContact O-N 2.9Å; V422-D475 HydrophobicContact CG2-CB 4.09Å; V422-D475 WeakPolarHBondContact CG2-OD2 3.15Å; V422-V476 HydrophobicContact CG2-CG2 3.87Å |
| 423 | L | 94.9 | Very high | 87.1 | Confident | 81 Ų | 81 | 73.2 Ų | 73.2 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -38 | 177.2 | -69.8 | 169.2 | 0 | 0 | 0 | 112.2 | K418 H419 E426 A427 | K418-L423 HydrophobicContact CB-CD1 4.21Å; K418-L423 HydrophobicContact CB-CD2 3.81Å; K418-L423 HydrophobicContact CB-CG 3.78Å; K418-L423 HydrophobicContact CD-CD2 3.67Å; K418-L423 HydrophobicContact CD-CG 4.5Å; K418-L423 HydrophobicContact CG-CD2 4.42Å; H419-L423 WeakPolarHBondContact O-CG 3.3Å; H419-L423 PolarHBondContact O-N 2.72Å; L423-E426 PolarHBondContact O-N 3.27Å; L423-A427 WeakPolarHBondContact O-CB 3.46Å; L423-A427 PolarHBondContact O-N 3.44Å |
| 424 | K | 96.2 | Very high | 89.7 | Confident | 117 Ų | 117 | 70.2 Ų | 70.2 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 170.1 | -77.2 | 172 | 179.6 | -179.4 | 0 | 111.3 | P420 V422 E426 A427 I428 V468 | P420-K424 VanDerWaalsContact O-CG 3.3Å; P420-K424 WeakPolarHBondContact O-CG 3.37Å; P420-K424 PolarHBondContact O-N 3Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 2.71Å; K424-E426 VanDerWaalsContact C-N 3.32Å; K424-E426 PolarHBondContact O-N 3.47Å; K424-A427 PolarHBondContact O-N 3.43Å; K424-I428 WeakPolarHBondContact O-CB 3.38Å; K424-I428 WeakPolarHBondContact O-CD1 3.46Å; K424-I428 WeakPolarHBondContact O-CG1 3.45Å; K424-I428 PolarHBondContact O-N 3.3Å; K424-V468 HydrophobicContact CB-CG1 4.28Å; K424-V468 HydrophobicContact CB-CG2 4.23Å; K424-V468 HydrophobicContact CD-CG1 4.38Å |
| 425 | V | 97.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 177.8 | 175.8 | 0 | 0 | 0 | 0 | 112 | G421 V422 I428 L429 L465 V468 A479 R480 | G421-V425 WeakPolarHBondContact O-CG2 3.23Å; G421-V425 PolarHBondContact O-N 2.89Å; V422-V425 CarbonylContact O-C 3.58Å; V422-V425 PolarHBondContact O-N 3.3Å; V422-V425 VanDerWaalsContact O-N 3.11Å; V425-I428 WeakPolarHBondContact O-CB 3.41Å; V425-I428 PolarHBondContact O-N 2.95Å; V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 WeakPolarHBondContact O-CB 3.29Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.44Å; V425-L429 PolarHBondContact O-N 3.29Å; V425-L465 HydrophobicContact CG1-CD2 3.85Å; V425-L465 HydrophobicContact CG2-CD2 4.33Å; V425-V468 HydrophobicContact CG2-CB 4.19Å; V425-V468 HydrophobicContact CG2-CG1 4.01Å; V425-V468 HydrophobicContact CG2-CG2 4.04Å; V425-A479 HydrophobicContact CB-CB 4.24Å; V425-A479 HydrophobicContact CG1-CB 3.72Å; V425-R480 HydrophobicContact CG2-CB 4.46Å |
| 426 | E | 96.4 | Very high | 93.5 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 178 | -167.5 | 167.5 | -162.4 | 0 | 0 | 111.9 | K418 V422 L423 K424 I428 L429 E430 | K418-E426 WeakPolarHBondContact CD-OE2 3.4Å; K418-E426 WeakPolarHBondContact CE-OE2 3.27Å; K418-E426 IonicContact NZ-OE1 3.53Å; K418-E426 PolarHBondContact NZ-OE1 3.44Å; K418-E426 IonicContact NZ-OE2 3.19Å; K418-E426 PolarHBondContact NZ-OE2 2.93Å; V422-E426 WeakPolarHBondContact O-CB 3.48Å; V422-E426 PolarHBondContact O-N 2.9Å; L423-E426 PolarHBondContact O-N 3.27Å; K424-E426 VanDerWaalsContact C-N 3.32Å; K424-E426 PolarHBondContact O-N 3.47Å; E426-I428 VanDerWaalsContact C-N 3.28Å; E426-I428 PolarHBondContact O-N 3.36Å; E426-L429 WeakPolarHBondContact O-CB 3.41Å; E426-L429 PolarHBondContact O-N 3.4Å; E426-L429 VanDerWaalsContact O-N 3.14Å; E426-E430 PolarHBondContact O-N 2.97Å |
| 427 | A | 97.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -24.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L423 K424 | L423-A427 WeakPolarHBondContact O-CB 3.46Å; L423-A427 PolarHBondContact O-N 3.44Å; K424-A427 PolarHBondContact O-N 3.43Å |
| 428 | I | 97.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.9 | -49.9 | 166.9 | -73.4 | 164.5 | 0 | 0 | 0 | 109.8 | K424 V425 E426 E430 K431 V432 E461 A464 L465 V468 | K424-I428 WeakPolarHBondContact O-CB 3.38Å; K424-I428 WeakPolarHBondContact O-CD1 3.46Å; K424-I428 WeakPolarHBondContact O-CG1 3.45Å; K424-I428 PolarHBondContact O-N 3.3Å; V425-I428 WeakPolarHBondContact O-CB 3.41Å; V425-I428 PolarHBondContact O-N 2.95Å; E426-I428 VanDerWaalsContact C-N 3.28Å; E426-I428 PolarHBondContact O-N 3.36Å; I428-E430 PolarHBondContact O-N 3.12Å; I428-K431 WeakPolarHBondContact O-CB 3.36Å; I428-K431 PolarHBondContact O-N 3.22Å; I428-V432 HydrophobicContact CG2-CG2 4.34Å; I428-V432 WeakPolarHBondContact O-CG2 3.19Å; I428-V432 PolarHBondContact O-N 3.48Å; I428-E461 WeakPolarHBondContact CA-OE1 3.48Å; I428-E461 WeakPolarHBondContact CB-OE1 3.3Å; I428-E461 WeakPolarHBondContact CG1-OE1 3.48Å; I428-E461 HydrophobicContact CG2-CG 3.68Å; I428-E461 WeakPolarHBondContact CG2-OE1 3.34Å; I428-A464 HydrophobicContact CD1-CB 4.01Å; I428-A464 HydrophobicContact CG1-CB 4.23Å; I428-L465 HydrophobicContact CB-CD2 4.41Å; I428-L465 HydrophobicContact CD1-CD2 4.42Å; I428-L465 HydrophobicContact CG2-CD1 4.28Å; I428-L465 HydrophobicContact CG2-CD2 3.65Å; I428-L465 HydrophobicContact CG2-CG 3.59Å; I428-V468 HydrophobicContact CD1-CG2 3.69Å |
| 429 | L | 97.2 | Very high | 96.4 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -29.8 | -179 | -80 | 169.6 | 0 | 0 | 0 | 113.7 | V425 E426 V432 Q433 K486 | V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 WeakPolarHBondContact O-CB 3.29Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.44Å; V425-L429 PolarHBondContact O-N 3.29Å; E426-L429 WeakPolarHBondContact O-CB 3.41Å; E426-L429 PolarHBondContact O-N 3.4Å; E426-L429 VanDerWaalsContact O-N 3.14Å; L429-V432 WeakPolarHBondContact O-CB 3.43Å; L429-V432 PolarHBondContact O-N 2.96Å; L429-Q433 PolarHBondContact O-N 3.45Å; L429-K486 HydrophobicContact CD2-CD 4.22Å |
| 430 | E | 97.8 | Very high | 96.7 | Very high | 141 Ų | 141 | 55 Ų | 55 | 66% | 0.659 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 170.6 | -173 | 177.7 | -173.1 | 0 | 0 | 111.7 | E426 I428 Q433 G434 | E426-E430 PolarHBondContact O-N 2.97Å; I428-E430 PolarHBondContact O-N 3.12Å; E430-Q433 WeakPolarHBondContact O-CB 3.38Å; E430-Q433 PolarHBondContact O-N 2.94Å; E430-G434 PolarHBondContact O-N 3.02Å; E430-G434 VanDerWaalsContact O-N 3.14Å |
| 431 | K | 97.7 | Very high | 97 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 173.7 | -66.2 | -173.5 | -107 | 124 | 0 | 111.9 | I428 Q433 G434 L435 E461 | I428-K431 WeakPolarHBondContact O-CB 3.36Å; I428-K431 PolarHBondContact O-N 3.22Å; K431-Q433 PolarHBondContact O-N 2.85Å; K431-G434 PolarHBondContact O-N 3.14Å; K431-G434 VanDerWaalsContact O-N 3.12Å; K431-L435 WeakPolarHBondContact O-CG 3.27Å; K431-L435 PolarHBondContact O-N 3.01Å; K431-E461 VanDerWaalsContact NZ-CD 3.27Å; K431-E461 IonicContact NZ-OE1 3.48Å; K431-E461 PolarHBondContact NZ-OE1 3.39Å; K431-E461 IonicContact NZ-OE2 3.71Å; K431-E461 PolarHBondContact NZ-OE2 3.4Å |
| 432 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -36.6 | 173.3 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | I428 L429 L435 E436 E461 K486 V487 I490 | I428-V432 HydrophobicContact CG2-CG2 4.34Å; I428-V432 WeakPolarHBondContact O-CG2 3.19Å; I428-V432 PolarHBondContact O-N 3.48Å; L429-V432 WeakPolarHBondContact O-CB 3.43Å; L429-V432 PolarHBondContact O-N 2.96Å; V432-L435 PolarHBondContact O-N 3.35Å; V432-E436 VanDerWaalsContact O-CB 3.31Å; V432-E436 WeakPolarHBondContact O-CB 3.39Å; V432-E436 PolarHBondContact O-N 2.89Å; V432-E461 HydrophobicContact CG2-CB 4.35Å; V432-E461 HydrophobicContact CG2-CG 3.63Å; V432-K486 HydrophobicContact CG1-CD 4Å; V432-K486 HydrophobicContact CG1-CG 4.39Å; V432-V487 HydrophobicContact CB-CG2 4.2Å; V432-V487 HydrophobicContact CG1-CG2 3.61Å; V432-V487 HydrophobicContact CG2-CG2 3.43Å; V432-V487 VanDerWaalsContact CG2-CG2 3.43Å; V432-I490 HydrophobicContact CG1-CD1 3.37Å |
| 433 | Q | 98.3 | Very high | 97.1 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70 | -35.1 | 176.3 | -169.9 | 175.1 | 15.4 | 0 | 0 | 112.8 | L429 E430 K431 Q437 | L429-Q433 PolarHBondContact O-N 3.45Å; E430-Q433 WeakPolarHBondContact O-CB 3.38Å; E430-Q433 PolarHBondContact O-N 2.94Å; K431-Q433 PolarHBondContact O-N 2.85Å; Q433-Q437 WeakPolarHBondContact O-CG 3.44Å; Q433-Q437 PolarHBondContact O-N 3.27Å; Q433-Q437 VanDerWaalsContact O-N 3.09Å |
| 434 | G | 97.3 | Very high | 97 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E430 K431 Q437 A438 | E430-G434 PolarHBondContact O-N 3.02Å; E430-G434 VanDerWaalsContact O-N 3.14Å; K431-G434 PolarHBondContact O-N 3.14Å; K431-G434 VanDerWaalsContact O-N 3.12Å; G434-Q437 PolarHBondContact O-N 2.85Å; G434-A438 PolarHBondContact O-N 3.22Å |
| 435 | L | 97.5 | Very high | 97 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 176 | -64.1 | 169.1 | 0 | 0 | 0 | 112.2 | K431 V432 Q437 A438 V439 I454 Y457 L458 | K431-L435 WeakPolarHBondContact O-CG 3.27Å; K431-L435 PolarHBondContact O-N 3.01Å; V432-L435 PolarHBondContact O-N 3.35Å; L435-Q437 VanDerWaalsContact C-N 3.34Å; L435-Q437 PolarHBondContact O-N 3.38Å; L435-A438 CarbonylContact O-C 3.35Å; L435-A438 WeakPolarHBondContact O-CA 3.5Å; L435-A438 WeakPolarHBondContact O-CB 3.42Å; L435-A438 PolarHBondContact O-N 3.26Å; L435-V439 WeakPolarHBondContact O-CG2 3.15Å; L435-V439 PolarHBondContact O-N 3.24Å; L435-I454 HydrophobicContact CD2-CG2 4.44Å; L435-Y457 HydrophobicContact CD2-CD2 4.33Å; L435-Y457 HydrophobicContact CD2-CG 4.26Å; L435-L458 HydrophobicContact CB-CD2 3.73Å; L435-L458 HydrophobicContact CB-CG 4.22Å; L435-L458 HydrophobicContact CD1-CD2 3.88Å; L435-L458 HydrophobicContact CD1-CG 4.1Å; L435-L458 HydrophobicContact CG-CD2 4.43Å |
| 436 | E | 97.9 | Very high | 96.9 | Very high | 53 Ų | 53 | 62 Ų | 62 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 171.5 | -176.1 | 173.4 | -127.5 | 0 | 0 | 111.3 | V432 A438 V439 D440 K486 I490 | V432-E436 VanDerWaalsContact O-CB 3.31Å; V432-E436 WeakPolarHBondContact O-CB 3.39Å; V432-E436 PolarHBondContact O-N 2.89Å; E436-A438 VanDerWaalsContact C-N 3.33Å; E436-A438 PolarHBondContact O-N 2.88Å; E436-V439 PolarHBondContact O-N 3.18Å; E436-D440 WeakPolarHBondContact O-CB 3.45Å; E436-D440 PolarHBondContact O-N 2.95Å; E436-K486 VanDerWaalsContact CD-CE 3.4Å; E436-K486 WeakPolarHBondContact OE1-CE 3.45Å; E436-K486 IonicContact OE1-NZ 3.06Å; E436-K486 PolarHBondContact OE1-NZ 3.2Å; E436-K486 VanDerWaalsContact OE2-CE 3.23Å; E436-K486 WeakPolarHBondContact OE2-CE 3.47Å; E436-K486 IonicContact OE2-NZ 2.67Å; E436-K486 PolarHBondContact OE2-NZ 3.19Å; E436-I490 HydrophobicContact CB-CD1 3.75Å; E436-I490 HydrophobicContact CB-CG1 4.17Å; E436-I490 HydrophobicContact CG-CD1 4.09Å; E436-I490 HydrophobicContact CG-CG1 4.14Å |
| 437 | Q | 98.1 | Very high | 96.7 | Very high | 97 Ų | 97 | 62.6 Ų | 62.6 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -34.4 | 173.3 | -69.2 | 177.4 | 15.6 | 0 | 0 | 112.6 | Q433 G434 L435 D440 N441 | Q433-Q437 WeakPolarHBondContact O-CG 3.44Å; Q433-Q437 PolarHBondContact O-N 3.27Å; Q433-Q437 VanDerWaalsContact O-N 3.09Å; G434-Q437 PolarHBondContact O-N 2.85Å; L435-Q437 VanDerWaalsContact C-N 3.34Å; L435-Q437 PolarHBondContact O-N 3.38Å; Q437-D440 PolarHBondContact O-N 2.94Å; Q437-N441 WeakPolarHBondContact O-CB 3.46Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 PolarHBondContact O-ND2 2.91Å |
| 438 | A | 96.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.2 | -34.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G434 L435 E436 N441 F442 I454 | G434-A438 PolarHBondContact O-N 3.22Å; L435-A438 CarbonylContact O-C 3.35Å; L435-A438 WeakPolarHBondContact O-CA 3.5Å; L435-A438 WeakPolarHBondContact O-CB 3.42Å; L435-A438 PolarHBondContact O-N 3.26Å; E436-A438 VanDerWaalsContact C-N 3.33Å; E436-A438 PolarHBondContact O-N 2.88Å; A438-N441 CarbonylContact O-C 3.54Å; A438-F442 WeakPolarHBondContact O-CB 3.33Å; A438-F442 PolarHBondContact O-N 3.45Å; A438-I454 HydrophobicContact CB-CD1 3.89Å; A438-I454 HydrophobicContact CB-CG1 4.24Å |
| 439 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70 | -42.7 | 170.9 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L435 E436 N441 F442 I454 L458 I490 K493 L494 K497 | L435-V439 WeakPolarHBondContact O-CG2 3.15Å; L435-V439 PolarHBondContact O-N 3.24Å; E436-V439 PolarHBondContact O-N 3.18Å; V439-N441 PolarHBondContact O-N 3.44Å; V439-F442 WeakPolarHBondContact O-CB 3.38Å; V439-F442 PolarHBondContact O-N 2.67Å; V439-I454 HydrophobicContact CG2-CG2 3.63Å; V439-L458 HydrophobicContact CG2-CD1 4.21Å; V439-I490 HydrophobicContact CB-CG2 4.13Å; V439-I490 HydrophobicContact CG1-CG2 4.48Å; V439-I490 HydrophobicContact CG2-CG2 3.6Å; V439-K493 HydrophobicContact CG1-CB 4.18Å; V439-K493 HydrophobicContact CG1-CD 4.29Å; V439-K493 HydrophobicContact CG1-CG 4.06Å; V439-L494 HydrophobicContact CG1-CB 3.93Å; V439-L494 HydrophobicContact CG2-CB 3.83Å; V439-L494 HydrophobicContact CG2-CD1 4.17Å; V439-L494 HydrophobicContact CG2-CD2 4.31Å; V439-L494 HydrophobicContact CG2-CG 4.3Å; V439-K497 PolarHBondContact O-NZ 3.31Å |
| 440 | D | 96.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 72.4 Ų | 72.4 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.1 | -30.6 | 179.8 | -78.3 | 29.4 | 0 | 0 | 0 | 111.7 | E436 Q437 K493 K497 | E436-D440 WeakPolarHBondContact O-CB 3.45Å; E436-D440 PolarHBondContact O-N 2.95Å; Q437-D440 PolarHBondContact O-N 2.94Å; D440-K493 WeakPolarHBondContact OD1-CE 3.44Å; D440-K493 IonicContact OD1-NZ 3.71Å; D440-K493 PolarHBondContact OD1-NZ 2.93Å; D440-K493 IonicContact OD2-NZ 2.69Å; D440-K493 PolarHBondContact OD2-NZ 3.42Å; D440-K497 VanDerWaalsContact C-NZ 3.31Å; D440-K497 PolarHBondContact O-NZ 3.04Å |
| 441 | N | 96 | Very high | 96.5 | Very high | 122 Ų | 122 | 66.3 Ų | 66.3 | 65% | 0.652 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 18.2 | 168.5 | -61.2 | -78.9 | 0 | 0 | 0 | 113.4 | Q437 A438 V439 K450 | Q437-N441 WeakPolarHBondContact O-CB 3.46Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 PolarHBondContact O-ND2 2.91Å; A438-N441 CarbonylContact O-C 3.54Å; V439-N441 PolarHBondContact O-N 3.44Å; N441-K450 PolarHBondContact O-NZ 2.83Å |
| 442 | F | 96.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | trans | -82.9 | 136.4 | 170.4 | -176.2 | -94.1 | 0 | 0 | 0 | 111.1 | A438 V439 K450 Y451 I454 L494 K497 A498 | A438-F442 WeakPolarHBondContact O-CB 3.33Å; A438-F442 PolarHBondContact O-N 3.45Å; V439-F442 WeakPolarHBondContact O-CB 3.38Å; V439-F442 PolarHBondContact O-N 2.67Å; F442-K450 HydrophobicContact CD2-CB 4.42Å; F442-K450 HydrophobicContact CD2-CD 3.83Å; F442-K450 HydrophobicContact CD2-CG 3.84Å; F442-K450 HydrophobicContact CE2-CB 3.99Å; F442-K450 HydrophobicContact CE2-CD 4.09Å; F442-K450 HydrophobicContact CE2-CG 3.92Å; F442-Y451 HydrophobicContact CE1-CD2 4.43Å; F442-Y451 HydrophobicContact CZ-CD2 4.3Å; F442-I454 HydrophobicContact CD2-CD1 4.09Å; F442-L494 HydrophobicContact CB-CD1 4.21Å; F442-L494 HydrophobicContact CD1-CD1 3.86Å; F442-L494 HydrophobicContact CD2-CD1 4.16Å; F442-L494 HydrophobicContact CE1-CD1 4.35Å; F442-L494 HydrophobicContact CG-CD1 3.77Å; F442-K497 HydrophobicContact CD1-CB 4.45Å; F442-K497 VanDerWaalsContact O-CE 3.25Å; F442-K497 WeakPolarHBondContact O-CE 3.19Å; F442-K497 PolarHBondContact O-NZ 3.47Å; F442-A498 HydrophobicContact CE1-CB 3.88Å | ||
| 443 | E | 94.6 | Very high | 96.4 | Very high | 174 Ų | 174 | 68.8 Ų | 68.8 | 81% | 0.813 | 35% | 0.352 | S | S | * | . | trans | -148.9 | 136.8 | 167.8 | -175.4 | 170.1 | -149.1 | 0 | 0 | 106.2 | ||||
| 444 | G | 93.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | 144.2 | -158.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D448 I499 | G444-D448 VanDerWaalsContact CA-OD2 3.3Å; G444-D448 WeakPolarHBondContact CA-OD2 3.26Å; G444-I499 PolarHBondContact O-N 2.63Å |
| 445 | K | 95.1 | Very high | 96.3 | Very high | 88 Ų | 88 | 65.7 Ų | 65.7 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | trans | -126.7 | 161.6 | -175.4 | 51.9 | 172.9 | -174.2 | 160.2 | 0 | 110.9 | T447 D448 I499 | K445-T447 VanDerWaalsContact CD-OG1 3.27Å; K445-T447 WeakPolarHBondContact CD-OG1 3.47Å; K445-T447 WeakPolarHBondContact CE-OG1 3.47Å; K445-T447 PolarHBondContact NZ-OG1 3.25Å; K445-T447 PolarHBondContact O-N 2.75Å; K445-D448 WeakPolarHBondContact CE-OD1 3.45Å; K445-D448 VanDerWaalsContact CG-CG 3.47Å; K445-D448 WeakPolarHBondContact CG-OD2 3.3Å; K445-D448 PolarHBondContact N-OD2 3.11Å; K445-D448 IonicContact NZ-OD1 3.91Å; K445-D448 WeakPolarHBondContact O-CB 3.46Å; K445-D448 PolarHBondContact O-N 3.42Å; K445-I499 WeakPolarHBondContact CA-O 3.41Å; K445-I499 VanDerWaalsContact CB-O 3.25Å; K445-I499 WeakPolarHBondContact CB-O 3.4Å | ||
| 446 | K | 95 | Very high | 96.4 | Very high | 45 Ų | 45 | 70.7 Ų | 70.7 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.4 | -178.5 | -58.7 | -176.4 | -172.1 | 175.1 | 0 | 114.7 | Y451 E495 A498 D500 | K446-Y451 HydrophobicContact CB-CD1 4.27Å; K446-Y451 HydrophobicContact CB-CE1 4.11Å; K446-Y451 HydrophobicContact CB-CE2 4.38Å; K446-Y451 HydrophobicContact CG-CD2 4.45Å; K446-Y451 HydrophobicContact CG-CE1 4.43Å; K446-Y451 HydrophobicContact CG-CE2 3.95Å; K446-Y451 WeakPolarHBondContact O-CD1 3.5Å; K446-E495 HydrophobicContact CD-CG 4.35Å; K446-E495 VanDerWaalsContact NZ-CG 3.3Å; K446-E495 IonicContact NZ-OE1 3.27Å; K446-E495 PolarHBondContact NZ-OE1 2.75Å; K446-A498 HydrophobicContact CG-CB 3.63Å; K446-D500 HydrophobicContact CD-CB 4.3Å; K446-D500 VanDerWaalsContact CE-OD2 3.3Å; K446-D500 WeakPolarHBondContact CE-OD2 3.46Å; K446-D500 IonicContact NZ-OD2 2.61Å; K446-D500 PolarHBondContact NZ-OD2 3.44Å |
| 447 | T | 93.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 72.3 Ų | 72.3 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 1 | 176.3 | 51 | 0 | 0 | 0 | 0 | 114.5 | K445 | K445-T447 VanDerWaalsContact CD-OG1 3.27Å; K445-T447 WeakPolarHBondContact CD-OG1 3.47Å; K445-T447 WeakPolarHBondContact CE-OG1 3.47Å; K445-T447 PolarHBondContact NZ-OG1 3.25Å; K445-T447 PolarHBondContact O-N 2.75Å |
| 448 | D | 95.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 67.7 Ų | 67.7 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -79.3 | 141.3 | 177.2 | -68.9 | -34.2 | 0 | 0 | 0 | 111.8 | G444 K445 K450 Y451 L452 | G444-D448 VanDerWaalsContact CA-OD2 3.3Å; G444-D448 WeakPolarHBondContact CA-OD2 3.26Å; K445-D448 WeakPolarHBondContact CE-OD1 3.45Å; K445-D448 VanDerWaalsContact CG-CG 3.47Å; K445-D448 WeakPolarHBondContact CG-OD2 3.3Å; K445-D448 PolarHBondContact N-OD2 3.11Å; K445-D448 IonicContact NZ-OD1 3.91Å; K445-D448 WeakPolarHBondContact O-CB 3.46Å; K445-D448 PolarHBondContact O-N 3.42Å; D448-K450 PolarHBondContact O-N 2.82Å; D448-K450 VanDerWaalsContact O-N 3.1Å; D448-Y451 WeakPolarHBondContact O-CA 3.42Å; D448-Y451 WeakPolarHBondContact O-CB 3.4Å; D448-Y451 PolarHBondContact O-N 2.99Å; D448-L452 PolarHBondContact O-N 2.83Å; D448-L452 VanDerWaalsContact O-N 3.15Å |
| 449 | K | 95.9 | Very high | 96.4 | Very high | 177 Ų | 177 | 69.1 Ų | 69.1 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -55.9 | -31.5 | 176.7 | -174.7 | 174.6 | 179.1 | 179.2 | 0 | 112.8 | M453 | K449-M453 WeakPolarHBondContact O-CB 3.34Å; K449-M453 PolarHBondContact O-N 3.37Å |
| 450 | K | 95.9 | Very high | 96.4 | Very high | 94 Ų | 94 | 75.4 Ų | 75.4 | 41% | 0.409 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.9 | -35.2 | 175.2 | -174.4 | -175.1 | 172.6 | -178.3 | 0 | 112 | N441 F442 D448 I454 | N441-K450 PolarHBondContact O-NZ 2.83Å; F442-K450 HydrophobicContact CD2-CB 4.42Å; F442-K450 HydrophobicContact CD2-CD 3.83Å; F442-K450 HydrophobicContact CD2-CG 3.84Å; F442-K450 HydrophobicContact CE2-CB 3.99Å; F442-K450 HydrophobicContact CE2-CD 4.09Å; F442-K450 HydrophobicContact CE2-CG 3.92Å; D448-K450 PolarHBondContact O-N 2.82Å; D448-K450 VanDerWaalsContact O-N 3.1Å; K450-I454 HydrophobicContact CG-CD1 3.99Å; K450-I454 VanDerWaalsContact O-CD1 3.3Å; K450-I454 WeakPolarHBondContact O-CD1 3.09Å; K450-I454 WeakPolarHBondContact O-CG1 3.31Å; K450-I454 PolarHBondContact O-N 3.2Å |
| 451 | Y | 97 | Very high | 96.5 | Very high | 13 Ų | 13 | 72.6 Ų | 72.6 | 5% | 0.051 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.2 | -58.2 | 174.4 | 175.2 | -87.6 | 0 | 0 | 0 | 109.8 | F442 K446 D448 M453 I454 E455 L494 A498 | F442-Y451 HydrophobicContact CE1-CD2 4.43Å; F442-Y451 HydrophobicContact CZ-CD2 4.3Å; K446-Y451 HydrophobicContact CB-CD1 4.27Å; K446-Y451 HydrophobicContact CB-CE1 4.11Å; K446-Y451 HydrophobicContact CB-CE2 4.38Å; K446-Y451 HydrophobicContact CG-CD2 4.45Å; K446-Y451 HydrophobicContact CG-CE1 4.43Å; K446-Y451 HydrophobicContact CG-CE2 3.95Å; K446-Y451 WeakPolarHBondContact O-CD1 3.5Å; D448-Y451 WeakPolarHBondContact O-CA 3.42Å; D448-Y451 WeakPolarHBondContact O-CB 3.4Å; D448-Y451 PolarHBondContact O-N 2.99Å; Y451-M453 VanDerWaalsContact C-N 3.26Å; Y451-M453 PolarHBondContact O-N 3.12Å; Y451-I454 PolarHBondContact O-N 3.41Å; Y451-E455 HydrophobicContact CE1-CB 4.25Å; Y451-E455 HydrophobicContact CE1-CG 4.4Å; Y451-E455 WeakPolarHBondContact CE1-OE1 3.39Å; Y451-E455 WeakPolarHBondContact CE1-OE2 3.5Å; Y451-E455 VanDerWaalsContact CZ-OE1 3.24Å; Y451-E455 WeakPolarHBondContact O-CB 3.22Å; Y451-E455 PolarHBondContact O-N 2.57Å; Y451-E455 PolarHBondContact OH-OE1 3.16Å; Y451-L494 HydrophobicContact CD2-CD1 3.71Å; Y451-L494 HydrophobicContact CD2-CD2 4.22Å; Y451-L494 HydrophobicContact CD2-CG 3.75Å; Y451-L494 HydrophobicContact CE2-CD1 4.07Å; Y451-L494 HydrophobicContact CE2-CD2 4.16Å; Y451-L494 HydrophobicContact CE2-CG 3.61Å; Y451-A498 HydrophobicContact CD2-CB 3.39Å; Y451-A498 HydrophobicContact CE2-CB 3.45Å; Y451-A498 VanDerWaalsContact CE2-CB 3.45Å; Y451-A498 HydrophobicContact CG-CB 4.49Å |
| 452 | L | 96.6 | Very high | 96.6 | Very high | 88 Ų | 88 | 68.4 Ų | 68.4 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.6 | -39.8 | -175.7 | -62.9 | 169.9 | 0 | 0 | 0 | 112.1 | D448 E456 | D448-L452 PolarHBondContact O-N 2.83Å; D448-L452 VanDerWaalsContact O-N 3.15Å; L452-E456 VanDerWaalsContact O-CB 3.24Å; L452-E456 WeakPolarHBondContact O-CB 3.32Å; L452-E456 PolarHBondContact O-N 2.9Å |
| 453 | M | 97.5 | Very high | 96.7 | Very high | 66 Ų | 66 | 74 Ų | 74 | 33% | 0.325 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 176.9 | -176.9 | -174.8 | 78.3 | 0 | 0 | 112.9 | K449 Y451 Y457 | K449-M453 WeakPolarHBondContact O-CB 3.34Å; K449-M453 PolarHBondContact O-N 3.37Å; Y451-M453 VanDerWaalsContact C-N 3.26Å; Y451-M453 PolarHBondContact O-N 3.12Å; M453-Y457 HydrophobicContact CG-CD2 3.82Å; M453-Y457 HydrophobicContact CG-CE2 3.5Å; M453-Y457 VanDerWaalsContact CG-CE2 3.5Å; M453-Y457 WeakPolarHBondContact O-CD2 3.41Å; M453-Y457 PolarHBondContact O-N 3.23Å; M453-Y457 HydrophobicContact SD-CE2 4.15Å |
| 454 | I | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.9 | -39.7 | 178.6 | -61.7 | 165.7 | 0 | 0 | 0 | 109.9 | L435 A438 V439 F442 K450 Y451 Y457 L458 L494 | L435-I454 HydrophobicContact CD2-CG2 4.44Å; A438-I454 HydrophobicContact CB-CD1 3.89Å; A438-I454 HydrophobicContact CB-CG1 4.24Å; V439-I454 HydrophobicContact CG2-CG2 3.63Å; F442-I454 HydrophobicContact CD2-CD1 4.09Å; K450-I454 HydrophobicContact CG-CD1 3.99Å; K450-I454 VanDerWaalsContact O-CD1 3.3Å; K450-I454 WeakPolarHBondContact O-CD1 3.09Å; K450-I454 WeakPolarHBondContact O-CG1 3.31Å; K450-I454 PolarHBondContact O-N 3.2Å; Y451-I454 PolarHBondContact O-N 3.41Å; I454-Y457 PolarHBondContact O-N 3.45Å; I454-L458 HydrophobicContact CG2-CD1 3.8Å; I454-L458 HydrophobicContact CG2-CG 4.3Å; I454-L458 WeakPolarHBondContact O-CB 3.26Å; I454-L458 WeakPolarHBondContact O-CD1 3Å; I454-L458 VanDerWaalsContact O-CG 3.23Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.94Å; I454-L494 HydrophobicContact CB-CD2 4.02Å; I454-L494 HydrophobicContact CG2-CD2 3.85Å |
| 455 | E | 97.4 | Very high | 97 | Very high | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 173.6 | -175.7 | 177.8 | -110.5 | 0 | 0 | 112.1 | Y451 L458 T459 L491 L494 | Y451-E455 HydrophobicContact CE1-CB 4.25Å; Y451-E455 HydrophobicContact CE1-CG 4.4Å; Y451-E455 WeakPolarHBondContact CE1-OE1 3.39Å; Y451-E455 WeakPolarHBondContact CE1-OE2 3.5Å; Y451-E455 VanDerWaalsContact CZ-OE1 3.24Å; Y451-E455 WeakPolarHBondContact O-CB 3.22Å; Y451-E455 PolarHBondContact O-N 2.57Å; Y451-E455 PolarHBondContact OH-OE1 3.16Å; E455-L458 PolarHBondContact O-N 3.4Å; E455-T459 VanDerWaalsContact O-CB 3.31Å; E455-T459 WeakPolarHBondContact O-CB 3.2Å; E455-T459 PolarHBondContact O-N 2.68Å; E455-T459 PolarHBondContact O-OG1 3.15Å; E455-L491 HydrophobicContact CG-CD2 4.13Å; E455-L494 HydrophobicContact CB-CD2 4.18Å |
| 456 | E | 97.9 | Very high | 97 | Very high | 126 Ų | 126 | 66.6 Ų | 66.6 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.9 | -49.8 | 173 | 179.3 | -178.3 | -161.7 | 0 | 0 | 111.3 | L452 T459 K460 | L452-E456 VanDerWaalsContact O-CB 3.24Å; L452-E456 WeakPolarHBondContact O-CB 3.32Å; L452-E456 PolarHBondContact O-N 2.9Å; E456-T459 PolarHBondContact O-N 2.91Å; E456-K460 WeakPolarHBondContact O-CB 3.22Å; E456-K460 PolarHBondContact O-N 2.95Å |
| 457 | Y | 98.3 | Very high | 97.1 | Very high | 87 Ų | 87 | 68.7 Ų | 68.7 | 34% | 0.341 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 179.8 | -76.8 | -53.4 | 0 | 0 | 0 | 112.9 | L435 M453 I454 T459 K460 E461 | L435-Y457 HydrophobicContact CD2-CD2 4.33Å; L435-Y457 HydrophobicContact CD2-CG 4.26Å; M453-Y457 HydrophobicContact CG-CD2 3.82Å; M453-Y457 HydrophobicContact CG-CE2 3.5Å; M453-Y457 VanDerWaalsContact CG-CE2 3.5Å; M453-Y457 WeakPolarHBondContact O-CD2 3.41Å; M453-Y457 PolarHBondContact O-N 3.23Å; M453-Y457 HydrophobicContact SD-CE2 4.15Å; I454-Y457 PolarHBondContact O-N 3.45Å; Y457-T459 VanDerWaalsContact C-N 3.35Å; Y457-K460 HydrophobicContact CD1-CD 4.38Å; Y457-K460 PolarHBondContact O-N 3.25Å; Y457-E461 WeakPolarHBondContact O-CB 3.46Å; Y457-E461 PolarHBondContact O-N 2.82Å |
| 458 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.2 | -72.2 | 164.6 | 0 | 0 | 0 | 111.1 | L435 V439 I454 E455 E461 L462 V487 I490 L491 L494 | L435-L458 HydrophobicContact CB-CD2 3.73Å; L435-L458 HydrophobicContact CB-CG 4.22Å; L435-L458 HydrophobicContact CD1-CD2 3.88Å; L435-L458 HydrophobicContact CD1-CG 4.1Å; L435-L458 HydrophobicContact CG-CD2 4.43Å; V439-L458 HydrophobicContact CG2-CD1 4.21Å; I454-L458 HydrophobicContact CG2-CD1 3.8Å; I454-L458 HydrophobicContact CG2-CG 4.3Å; I454-L458 WeakPolarHBondContact O-CB 3.26Å; I454-L458 WeakPolarHBondContact O-CD1 3Å; I454-L458 VanDerWaalsContact O-CG 3.23Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.94Å; E455-L458 PolarHBondContact O-N 3.4Å; L458-E461 PolarHBondContact O-N 2.93Å; L458-L462 PolarHBondContact O-N 3.4Å; L458-V487 HydrophobicContact CB-CG1 4.02Å; L458-V487 HydrophobicContact CD2-CG1 3.96Å; L458-V487 WeakPolarHBondContact O-CG1 3.5Å; L458-I490 HydrophobicContact CD1-CG2 3.79Å; L458-I490 HydrophobicContact CD2-CB 4.15Å; L458-I490 HydrophobicContact CD2-CG2 3.65Å; L458-I490 HydrophobicContact CG-CG2 4.4Å; L458-L491 HydrophobicContact CB-CD1 4.34Å; L458-L491 HydrophobicContact CB-CD2 3.7Å; L458-L491 HydrophobicContact CB-CG 3.88Å; L458-L491 HydrophobicContact CD1-CD2 3.72Å; L458-L491 HydrophobicContact CD1-CG 3.97Å; L458-L491 HydrophobicContact CG-CD2 4.36Å; L458-L491 HydrophobicContact CG-CG 4.49Å; L458-L494 HydrophobicContact CD1-CD2 4.1Å |
| 459 | T | 97.9 | Very high | 97 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | E455 E456 Y457 E461 L462 L463 | E455-T459 VanDerWaalsContact O-CB 3.31Å; E455-T459 WeakPolarHBondContact O-CB 3.2Å; E455-T459 PolarHBondContact O-N 2.68Å; E455-T459 PolarHBondContact O-OG1 3.15Å; E456-T459 PolarHBondContact O-N 2.91Å; Y457-T459 VanDerWaalsContact C-N 3.35Å; T459-E461 VanDerWaalsContact C-N 3.27Å; T459-E461 PolarHBondContact O-N 3.27Å; T459-L462 WeakPolarHBondContact O-CB 3.29Å; T459-L462 PolarHBondContact O-N 3.35Å; T459-L463 WeakPolarHBondContact O-CD1 3.45Å; T459-L463 PolarHBondContact O-N 2.98Å; T459-L463 VanDerWaalsContact O-N 3.12Å |
| 460 | K | 98.1 | Very high | 96.7 | Very high | 131 Ų | 131 | 60.6 Ų | 60.6 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.5 | -37.5 | 173 | -177.1 | 177.5 | -177.5 | 175.1 | 0 | 111.8 | E456 Y457 L463 A464 | E456-K460 WeakPolarHBondContact O-CB 3.22Å; E456-K460 PolarHBondContact O-N 2.95Å; Y457-K460 HydrophobicContact CD1-CD 4.38Å; Y457-K460 PolarHBondContact O-N 3.25Å; K460-L463 PolarHBondContact O-N 3.48Å; K460-A464 PolarHBondContact O-N 2.85Å |
| 461 | E | 98.2 | Very high | 96.4 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.065 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.4 | -26.2 | -179.9 | -146.8 | 64.1 | -136.8 | 0 | 0 | 112.5 | I428 K431 V432 Y457 L458 T459 A464 L465 | I428-E461 WeakPolarHBondContact CA-OE1 3.48Å; I428-E461 WeakPolarHBondContact CB-OE1 3.3Å; I428-E461 WeakPolarHBondContact CG1-OE1 3.48Å; I428-E461 HydrophobicContact CG2-CG 3.68Å; I428-E461 WeakPolarHBondContact CG2-OE1 3.34Å; K431-E461 VanDerWaalsContact NZ-CD 3.27Å; K431-E461 IonicContact NZ-OE1 3.48Å; K431-E461 PolarHBondContact NZ-OE1 3.39Å; K431-E461 IonicContact NZ-OE2 3.71Å; K431-E461 PolarHBondContact NZ-OE2 3.4Å; V432-E461 HydrophobicContact CG2-CB 4.35Å; V432-E461 HydrophobicContact CG2-CG 3.63Å; Y457-E461 WeakPolarHBondContact O-CB 3.46Å; Y457-E461 PolarHBondContact O-N 2.82Å; L458-E461 PolarHBondContact O-N 2.93Å; T459-E461 VanDerWaalsContact C-N 3.27Å; T459-E461 PolarHBondContact O-N 3.27Å; E461-A464 PolarHBondContact O-N 3.11Å; E461-L465 WeakPolarHBondContact O-CG 3.24Å; E461-L465 PolarHBondContact O-N 2.91Å |
| 462 | L | 98.1 | Very high | 96 | Very high | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.183 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 162.9 | -74.6 | 176.2 | 0 | 0 | 0 | 111.5 | L458 T459 A464 L465 D466 V484 V487 L491 | L458-L462 PolarHBondContact O-N 3.4Å; T459-L462 WeakPolarHBondContact O-CB 3.29Å; T459-L462 PolarHBondContact O-N 3.35Å; L462-A464 VanDerWaalsContact C-N 3.3Å; L462-A464 PolarHBondContact O-N 3.43Å; L462-L465 WeakPolarHBondContact O-CB 3.46Å; L462-L465 PolarHBondContact O-N 3.49Å; L462-D466 PolarHBondContact O-N 3.29Å; L462-V484 HydrophobicContact CD2-CB 4.4Å; L462-V484 HydrophobicContact CD2-CG1 4.1Å; L462-V484 HydrophobicContact CD2-CG2 4.34Å; L462-V487 HydrophobicContact CD1-CG1 4.31Å; L462-V487 HydrophobicContact CD2-CB 3.69Å; L462-V487 HydrophobicContact CD2-CG1 3.71Å; L462-V487 HydrophobicContact CD2-CG2 4.49Å; L462-V487 HydrophobicContact CG-CB 4.17Å; L462-V487 HydrophobicContact CG-CG1 3.59Å; L462-L491 HydrophobicContact CD1-CD1 3.91Å |
| 463 | L | 97.9 | Very high | 95.8 | Very high | 120 Ų | 120 | 64.4 Ų | 64.4 | 63% | 0.628 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.7 | -38 | 176.3 | -94.1 | 64.9 | 0 | 0 | 0 | 111.6 | T459 K460 D466 S467 | T459-L463 WeakPolarHBondContact O-CD1 3.45Å; T459-L463 PolarHBondContact O-N 2.98Å; T459-L463 VanDerWaalsContact O-N 3.12Å; K460-L463 PolarHBondContact O-N 3.48Å; L463-D466 PolarHBondContact O-N 3.31Å; L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.91Å |
| 464 | A | 97.5 | Very high | 95.6 | Very high | 25 Ų | 25 | 64.4 Ų | 64.4 | 21% | 0.207 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I428 K460 E461 L462 D466 S467 V468 | I428-A464 HydrophobicContact CD1-CB 4.01Å; I428-A464 HydrophobicContact CG1-CB 4.23Å; K460-A464 PolarHBondContact O-N 2.85Å; E461-A464 PolarHBondContact O-N 3.11Å; L462-A464 VanDerWaalsContact C-N 3.3Å; L462-A464 PolarHBondContact O-N 3.43Å; A464-D466 VanDerWaalsContact C-N 3.33Å; A464-D466 PolarHBondContact O-N 3.34Å; A464-S467 PolarHBondContact O-N 2.83Å; A464-S467 PolarHBondContact O-OG 2.73Å; A464-V468 WeakPolarHBondContact O-CG2 3.49Å; A464-V468 PolarHBondContact O-N 3.46Å |
| 465 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 174 | -76.5 | 165.7 | 0 | 0 | 0 | 112.4 | V425 I428 E461 L462 S467 V468 R480 G483 V484 V487 | V425-L465 HydrophobicContact CG1-CD2 3.85Å; V425-L465 HydrophobicContact CG2-CD2 4.33Å; I428-L465 HydrophobicContact CB-CD2 4.41Å; I428-L465 HydrophobicContact CD1-CD2 4.42Å; I428-L465 HydrophobicContact CG2-CD1 4.28Å; I428-L465 HydrophobicContact CG2-CD2 3.65Å; I428-L465 HydrophobicContact CG2-CG 3.59Å; E461-L465 WeakPolarHBondContact O-CG 3.24Å; E461-L465 PolarHBondContact O-N 2.91Å; L462-L465 WeakPolarHBondContact O-CB 3.46Å; L462-L465 PolarHBondContact O-N 3.49Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.39Å; L465-V468 PolarHBondContact O-N 2.65Å; L465-V468 VanDerWaalsContact O-N 3.16Å; L465-R480 VanDerWaalsContact O-CD 3.24Å; L465-R480 WeakPolarHBondContact O-CD 3.44Å; L465-R480 PolarHBondContact O-NE 2.97Å; L465-G483 VanDerWaalsContact CD1-C 3.46Å; L465-V484 HydrophobicContact CB-CG2 3.96Å; L465-V484 HydrophobicContact CD1-CG2 3.98Å; L465-V487 HydrophobicContact CD1-CG2 4.05Å |
| 466 | D | 96.1 | Very high | 95.4 | Very high | 102 Ų | 102 | 64.2 Ų | 64.2 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.8 | -27.8 | -177.6 | -147 | 66.9 | 0 | 0 | 0 | 112.8 | L462 L463 A464 V468 R480 | L462-D466 PolarHBondContact O-N 3.29Å; L463-D466 PolarHBondContact O-N 3.31Å; A464-D466 VanDerWaalsContact C-N 3.33Å; A464-D466 PolarHBondContact O-N 3.34Å; D466-V468 VanDerWaalsContact C-N 3.28Å; D466-V468 PolarHBondContact O-N 2.99Å; D466-R480 PolarHBondContact O-NH1 3.13Å; D466-R480 PolarHBondContact O-NH2 2.91Å; D466-R480 IonicContact OD1-CZ 2.77Å; D466-R480 IonicContact OD1-NE 3.54Å; D466-R480 IonicContact OD1-NH2 3.43Å; D466-R480 PolarHBondContact OD1-NH2 3.16Å; D466-R480 IonicContact OD2-NH2 3.44Å; D466-R480 PolarHBondContact OD2-NH2 2.95Å |
| 467 | S | 95.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -8.9 | 171.5 | 78 | 0 | 0 | 0 | 0 | 114.9 | L463 A464 L465 D469 | L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.91Å; A464-S467 PolarHBondContact O-N 2.83Å; A464-S467 PolarHBondContact O-OG 2.73Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.39Å; S467-D469 PolarHBondContact O-N 3.41Å |
| 468 | V | 95.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -78.7 | 107.5 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | K424 V425 I428 A464 L465 D466 P470 V476 R480 | K424-V468 HydrophobicContact CB-CG1 4.28Å; K424-V468 HydrophobicContact CB-CG2 4.23Å; K424-V468 HydrophobicContact CD-CG1 4.38Å; V425-V468 HydrophobicContact CG2-CB 4.19Å; V425-V468 HydrophobicContact CG2-CG1 4.01Å; V425-V468 HydrophobicContact CG2-CG2 4.04Å; I428-V468 HydrophobicContact CD1-CG2 3.69Å; A464-V468 WeakPolarHBondContact O-CG2 3.49Å; A464-V468 PolarHBondContact O-N 3.46Å; L465-V468 PolarHBondContact O-N 2.65Å; L465-V468 VanDerWaalsContact O-N 3.16Å; D466-V468 VanDerWaalsContact C-N 3.28Å; D466-V468 PolarHBondContact O-N 2.99Å; V468-P470 WeakPolarHBondContact O-CD 3.28Å; V468-V476 HydrophobicContact CG1-CG1 4Å; V468-R480 PolarHBondContact O-NH1 3.39Å |
| 469 | D | 92.4 | Very high | 95.1 | Very high | 110 Ų | 110 | 64 Ų | 64 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | trans | -54.9 | 124.4 | 170.2 | -69.2 | -57.8 | 0 | 0 | 0 | 111.7 | S467 E471 | S467-D469 PolarHBondContact O-N 3.41Å; D469-E471 VanDerWaalsContact C-N 3.31Å; D469-E471 HydrophobicContact CB-CG 4.49Å; D469-E471 PolarHBondContact O-N 2.76Å | ||
| 470 | P | 89.9 | Confident | 95.1 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 24% | 0.24 | 34% | 0.344 | C | S | . | . | trans | -79.8 | -10.2 | 178.2 | 29.8 | -33.6 | 0 | 0 | 0 | 114 | V468 G472 R473 V476 R477 | V468-P470 WeakPolarHBondContact O-CD 3.28Å; P470-G472 PolarHBondContact O-N 3.23Å; P470-R473 WeakPolarHBondContact O-CG 3.39Å; P470-R473 PolarHBondContact O-N 3.07Å; P470-V476 HydrophobicContact CB-CB 4.42Å; P470-V476 HydrophobicContact CB-CG1 4.44Å; P470-R477 HydrophobicContact CB-CG 3.56Å; P470-R477 HydrophobicContact CG-CG 4.28Å | ||
| 471 | E | 89.8 | Confident | 95.1 | Very high | 122 Ų | 122 | 64.3 Ų | 64.3 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 32.1 | -177.1 | -65.7 | 176.7 | -127.1 | 0 | 0 | 113.8 | H419 D469 R473 | H419-E471 VanDerWaalsContact CE1-CD 3.49Å; H419-E471 IonicContact CE1-OE1 3.75Å; H419-E471 PolarHBondContact CE1-OE1 3.29Å; H419-E471 IonicContact CE1-OE2 2.71Å; H419-E471 PolarHBondContact CE1-OE2 2.89Å; H419-E471 IonicContact NE2-OE2 3.91Å; D469-E471 VanDerWaalsContact C-N 3.31Å; D469-E471 HydrophobicContact CB-CG 4.49Å; D469-E471 PolarHBondContact O-N 2.76Å; E471-R473 HydrophobicContact CB-CG 4.23Å; E471-R473 PolarHBondContact O-N 2.69Å |
| 472 | G | 88.3 | Confident | 95.1 | Very high | 56 Ų | 56 | 66.4 Ų | 66.4 | 58% | 0.577 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -3.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P470 R477 | P470-G472 PolarHBondContact O-N 3.23Å; G472-R477 PolarHBondContact O-NH1 3.44Å; G472-R477 PolarHBondContact O-NH2 2.93Å; G472-R477 VanDerWaalsContact O-NH2 3.12Å |
| 473 | R | 92.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 64.8 Ų | 64.8 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | trans | -82.8 | 145.9 | -173.4 | -33.7 | -142.8 | -32.9 | 176.3 | 9.9 | 113 | H419 P470 E471 D475 V476 R477 | H419-R473 PolarHBondContact CD2-NH1 2.54Å; H419-R473 VanDerWaalsContact CG-CZ 3.47Å; P470-R473 WeakPolarHBondContact O-CG 3.39Å; P470-R473 PolarHBondContact O-N 3.07Å; E471-R473 HydrophobicContact CB-CG 4.23Å; E471-R473 PolarHBondContact O-N 2.69Å; R473-D475 WeakPolarHBondContact CB-OD1 3.27Å; R473-D475 IonicContact CZ-OD1 2.65Å; R473-D475 IonicContact CZ-OD2 2.73Å; R473-D475 IonicContact NE-OD1 3.67Å; R473-D475 PolarHBondContact NE-OD1 2.85Å; R473-D475 IonicContact NE-OD2 3.52Å; R473-D475 IonicContact NH2-OD1 3.73Å; R473-D475 IonicContact NH2-OD2 3.39Å; R473-D475 PolarHBondContact NH2-OD2 3.33Å; R473-V476 HydrophobicContact CB-CG2 4.28Å; R473-R477 WeakPolarHBondContact O-CG 3.48Å; R473-R477 PolarHBondContact O-N 2.97Å | ||
| 474 | A | 93.7 | Very high | 95.1 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.2 | -33 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q478 | A474-Q478 VanDerWaalsContact O-CB 3.3Å; A474-Q478 WeakPolarHBondContact O-CB 3.34Å; A474-Q478 PolarHBondContact O-N 3.43Å |
| 475 | D | 93 | Very high | 95.1 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 177.1 | 57.4 | -24.4 | 0 | 0 | 0 | 112 | V422 R473 Q478 A479 | V422-D475 HydrophobicContact CG2-CB 4.09Å; V422-D475 WeakPolarHBondContact CG2-OD2 3.15Å; R473-D475 WeakPolarHBondContact CB-OD1 3.27Å; R473-D475 IonicContact CZ-OD1 2.65Å; R473-D475 IonicContact CZ-OD2 2.73Å; R473-D475 IonicContact NE-OD1 3.67Å; R473-D475 PolarHBondContact NE-OD1 2.85Å; R473-D475 IonicContact NE-OD2 3.52Å; R473-D475 IonicContact NH2-OD1 3.73Å; R473-D475 IonicContact NH2-OD2 3.39Å; R473-D475 PolarHBondContact NH2-OD2 3.33Å; D475-Q478 PolarHBondContact O-N 3.48Å; D475-A479 WeakPolarHBondContact O-CB 3.49Å; D475-A479 PolarHBondContact O-N 2.81Å |
| 476 | V | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 177.4 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | H419 V422 V468 P470 R473 Q478 A479 R480 | H419-V476 HydrophobicContact CB-CG2 4.34Å; H419-V476 WeakPolarHBondContact ND1-CG2 3.4Å; V422-V476 HydrophobicContact CG2-CG2 3.87Å; V468-V476 HydrophobicContact CG1-CG1 4Å; P470-V476 HydrophobicContact CB-CB 4.42Å; P470-V476 HydrophobicContact CB-CG1 4.44Å; R473-V476 HydrophobicContact CB-CG2 4.28Å; V476-Q478 VanDerWaalsContact C-N 3.29Å; V476-Q478 PolarHBondContact O-N 3.12Å; V476-A479 PolarHBondContact O-N 3.06Å; V476-R480 WeakPolarHBondContact O-CB 3.47Å; V476-R480 PolarHBondContact O-N 3.03Å |
| 477 | R | 96.3 | Very high | 95.3 | Very high | 110 Ų | 110 | 63.2 Ų | 63.2 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 174.4 | -76.9 | -167.6 | -62.5 | -95.9 | -8.6 | 112.9 | P470 G472 R473 R481 | P470-R477 HydrophobicContact CB-CG 3.56Å; P470-R477 HydrophobicContact CG-CG 4.28Å; G472-R477 PolarHBondContact O-NH1 3.44Å; G472-R477 PolarHBondContact O-NH2 2.93Å; G472-R477 VanDerWaalsContact O-NH2 3.12Å; R473-R477 WeakPolarHBondContact O-CG 3.48Å; R473-R477 PolarHBondContact O-N 2.97Å; R477-R481 WeakPolarHBondContact O-CB 3.42Å; R477-R481 VanDerWaalsContact O-CG 3.24Å; R477-R481 WeakPolarHBondContact O-CG 3.21Å; R477-R481 PolarHBondContact O-N 3.47Å; R477-R481 PolarHBondContact O-NE 3.01Å |
| 478 | Q | 96.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -55.2 | 178.2 | -175.2 | 57.1 | 32.6 | 0 | 0 | 110 | A474 D475 V476 R480 R481 D482 | A474-Q478 VanDerWaalsContact O-CB 3.3Å; A474-Q478 WeakPolarHBondContact O-CB 3.34Å; A474-Q478 PolarHBondContact O-N 3.43Å; D475-Q478 PolarHBondContact O-N 3.48Å; V476-Q478 VanDerWaalsContact C-N 3.29Å; V476-Q478 PolarHBondContact O-N 3.12Å; Q478-R480 VanDerWaalsContact C-N 3.32Å; Q478-R480 PolarHBondContact O-N 2.93Å; Q478-R481 PolarHBondContact O-N 3.07Å; Q478-D482 WeakPolarHBondContact CG-OD2 3.41Å; Q478-D482 VanDerWaalsContact NE2-CG 3.28Å; Q478-D482 PolarHBondContact NE2-OD1 3.47Å; Q478-D482 VanDerWaalsContact NE2-OD1 3.13Å; Q478-D482 PolarHBondContact NE2-OD2 3.44Å; Q478-D482 PolarHBondContact O-N 3.22Å |
| 479 | A | 96.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 67.6 Ų | 67.6 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.2 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V425 D475 V476 D482 G483 | V425-A479 HydrophobicContact CB-CB 4.24Å; V425-A479 HydrophobicContact CG1-CB 3.72Å; D475-A479 WeakPolarHBondContact O-CB 3.49Å; D475-A479 PolarHBondContact O-N 2.81Å; V476-A479 PolarHBondContact O-N 3.06Å; A479-D482 PolarHBondContact O-N 3.42Å; A479-G483 PolarHBondContact O-N 2.95Å |
| 480 | R | 97.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.4 | 175.7 | 174 | 161.1 | 167.8 | -2.7 | 112.1 | V425 L465 D466 V468 V476 Q478 G483 V484 | V425-R480 HydrophobicContact CG2-CB 4.46Å; L465-R480 VanDerWaalsContact O-CD 3.24Å; L465-R480 WeakPolarHBondContact O-CD 3.44Å; L465-R480 PolarHBondContact O-NE 2.97Å; D466-R480 PolarHBondContact O-NH1 3.13Å; D466-R480 PolarHBondContact O-NH2 2.91Å; D466-R480 IonicContact OD1-CZ 2.77Å; D466-R480 IonicContact OD1-NE 3.54Å; D466-R480 IonicContact OD1-NH2 3.43Å; D466-R480 PolarHBondContact OD1-NH2 3.16Å; D466-R480 IonicContact OD2-NH2 3.44Å; D466-R480 PolarHBondContact OD2-NH2 2.95Å; V468-R480 PolarHBondContact O-NH1 3.39Å; V476-R480 WeakPolarHBondContact O-CB 3.47Å; V476-R480 PolarHBondContact O-N 3.03Å; Q478-R480 VanDerWaalsContact C-N 3.32Å; Q478-R480 PolarHBondContact O-N 2.93Å; R480-G483 PolarHBondContact O-N 3.3Å; R480-V484 WeakPolarHBondContact O-CG2 3.5Å; R480-V484 PolarHBondContact O-N 2.87Å |
| 481 | R | 97.8 | Very high | 96.2 | Very high | 147 Ų | 147 | 62.5 Ų | 62.5 | 56% | 0.555 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.6 | -36 | 177.7 | -71.6 | -176.4 | -55.2 | 168.9 | 5.6 | 112.8 | R477 Q478 R485 | R477-R481 WeakPolarHBondContact O-CB 3.42Å; R477-R481 VanDerWaalsContact O-CG 3.24Å; R477-R481 WeakPolarHBondContact O-CG 3.21Å; R477-R481 PolarHBondContact O-N 3.47Å; R477-R481 PolarHBondContact O-NE 3.01Å; Q478-R481 PolarHBondContact O-N 3.07Å; R481-R485 PolarHBondContact O-N 3.04Å; R481-R485 VanDerWaalsContact O-N 3.15Å |
| 482 | D | 97.9 | Very high | 96.5 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 175.1 | -69.2 | -37.1 | 0 | 0 | 0 | 111.4 | Q478 A479 R485 K486 | Q478-D482 WeakPolarHBondContact CG-OD2 3.41Å; Q478-D482 VanDerWaalsContact NE2-CG 3.28Å; Q478-D482 PolarHBondContact NE2-OD1 3.47Å; Q478-D482 VanDerWaalsContact NE2-OD1 3.13Å; Q478-D482 PolarHBondContact NE2-OD2 3.44Å; Q478-D482 PolarHBondContact O-N 3.22Å; A479-D482 PolarHBondContact O-N 3.42Å; D482-R485 PolarHBondContact O-N 3.15Å; D482-R485 IonicContact OD1-CZ 3.18Å; D482-R485 IonicContact OD1-NH1 2.68Å; D482-R485 PolarHBondContact OD1-NH1 2.89Å; D482-R485 IonicContact OD1-NH2 2.69Å; D482-R485 PolarHBondContact OD1-NH2 3.15Å; D482-K486 PolarHBondContact O-N 2.72Å |
| 483 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L465 A479 R480 R485 K486 V487 | L465-G483 VanDerWaalsContact CD1-C 3.46Å; A479-G483 PolarHBondContact O-N 2.95Å; R480-G483 PolarHBondContact O-N 3.3Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 2.97Å; G483-K486 PolarHBondContact O-N 3.01Å; G483-K486 VanDerWaalsContact O-N 3.13Å; G483-V487 WeakPolarHBondContact O-CG2 3.44Å; G483-V487 PolarHBondContact O-N 3Å |
| 484 | V | 98.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | L462 L465 R480 K486 V487 Q488 | L462-V484 HydrophobicContact CD2-CB 4.4Å; L462-V484 HydrophobicContact CD2-CG1 4.1Å; L462-V484 HydrophobicContact CD2-CG2 4.34Å; L465-V484 HydrophobicContact CB-CG2 3.96Å; L465-V484 HydrophobicContact CD1-CG2 3.98Å; R480-V484 WeakPolarHBondContact O-CG2 3.5Å; R480-V484 PolarHBondContact O-N 2.87Å; V484-K486 PolarHBondContact O-N 3.36Å; V484-V487 PolarHBondContact O-N 2.88Å; V484-Q488 WeakPolarHBondContact O-CB 3.32Å; V484-Q488 VanDerWaalsContact O-CG 3.29Å; V484-Q488 WeakPolarHBondContact O-CG 3.49Å; V484-Q488 PolarHBondContact O-N 2.77Å |
| 485 | R | 98.4 | Very high | 97.2 | Very high | 122 Ų | 122 | 60.2 Ų | 60.2 | 46% | 0.46 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 172.4 | -93.4 | -176 | -82.1 | 100 | 2.3 | 112.2 | R481 D482 G483 V487 Q488 T489 | R481-R485 PolarHBondContact O-N 3.04Å; R481-R485 VanDerWaalsContact O-N 3.15Å; D482-R485 PolarHBondContact O-N 3.15Å; D482-R485 IonicContact OD1-CZ 3.18Å; D482-R485 IonicContact OD1-NH1 2.68Å; D482-R485 PolarHBondContact OD1-NH1 2.89Å; D482-R485 IonicContact OD1-NH2 2.69Å; D482-R485 PolarHBondContact OD1-NH2 3.15Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 2.97Å; R485-V487 PolarHBondContact O-N 3.19Å; R485-Q488 PolarHBondContact O-N 2.82Å; R485-T489 PolarHBondContact O-N 3.01Å; R485-T489 PolarHBondContact O-OG1 2.76Å |
| 486 | K | 98.2 | Very high | 97.3 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 178.8 | -164.7 | -170 | 179.9 | -164.8 | 0 | 111.5 | L429 V432 E436 D482 G483 V484 Q488 T489 I490 | L429-K486 HydrophobicContact CD2-CD 4.22Å; V432-K486 HydrophobicContact CG1-CD 4Å; V432-K486 HydrophobicContact CG1-CG 4.39Å; E436-K486 VanDerWaalsContact CD-CE 3.4Å; E436-K486 WeakPolarHBondContact OE1-CE 3.45Å; E436-K486 IonicContact OE1-NZ 3.06Å; E436-K486 PolarHBondContact OE1-NZ 3.2Å; E436-K486 VanDerWaalsContact OE2-CE 3.23Å; E436-K486 WeakPolarHBondContact OE2-CE 3.47Å; E436-K486 IonicContact OE2-NZ 2.67Å; E436-K486 PolarHBondContact OE2-NZ 3.19Å; D482-K486 PolarHBondContact O-N 2.72Å; G483-K486 PolarHBondContact O-N 3.01Å; G483-K486 VanDerWaalsContact O-N 3.13Å; V484-K486 PolarHBondContact O-N 3.36Å; K486-Q488 PolarHBondContact O-N 3.2Å; K486-T489 PolarHBondContact O-N 2.97Å; K486-I490 HydrophobicContact CD-CD1 4.3Å; K486-I490 HydrophobicContact CG-CD1 3.92Å; K486-I490 WeakPolarHBondContact O-CD1 3.24Å; K486-I490 VanDerWaalsContact O-CG1 3.26Å; K486-I490 WeakPolarHBondContact O-CG1 2.98Å; K486-I490 PolarHBondContact O-N 2.74Å |
| 487 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | 179.8 | 180 | 0 | 0 | 0 | 0 | 111.6 | V432 L458 L462 L465 G483 V484 R485 I490 L491 | V432-V487 HydrophobicContact CB-CG2 4.2Å; V432-V487 HydrophobicContact CG1-CG2 3.61Å; V432-V487 HydrophobicContact CG2-CG2 3.43Å; V432-V487 VanDerWaalsContact CG2-CG2 3.43Å; L458-V487 HydrophobicContact CB-CG1 4.02Å; L458-V487 HydrophobicContact CD2-CG1 3.96Å; L458-V487 WeakPolarHBondContact O-CG1 3.5Å; L462-V487 HydrophobicContact CD1-CG1 4.31Å; L462-V487 HydrophobicContact CD2-CB 3.69Å; L462-V487 HydrophobicContact CD2-CG1 3.71Å; L462-V487 HydrophobicContact CD2-CG2 4.49Å; L462-V487 HydrophobicContact CG-CB 4.17Å; L462-V487 HydrophobicContact CG-CG1 3.59Å; L465-V487 HydrophobicContact CD1-CG2 4.05Å; G483-V487 WeakPolarHBondContact O-CG2 3.44Å; G483-V487 PolarHBondContact O-N 3Å; V484-V487 PolarHBondContact O-N 2.88Å; R485-V487 PolarHBondContact O-N 3.19Å; V487-I490 PolarHBondContact O-N 3.43Å; V487-L491 HydrophobicContact CG1-CD1 4.29Å; V487-L491 PolarHBondContact O-N 2.76Å |
| 488 | Q | 98.3 | Very high | 97 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 173.5 | -74.2 | 171.5 | -22.9 | 0 | 0 | 112.1 | V484 R485 K486 I490 L491 E492 | V484-Q488 WeakPolarHBondContact O-CB 3.32Å; V484-Q488 VanDerWaalsContact O-CG 3.29Å; V484-Q488 WeakPolarHBondContact O-CG 3.49Å; V484-Q488 PolarHBondContact O-N 2.77Å; R485-Q488 PolarHBondContact O-N 2.82Å; K486-Q488 PolarHBondContact O-N 3.2Å; Q488-I490 VanDerWaalsContact C-N 3.29Å; Q488-I490 PolarHBondContact O-N 2.9Å; Q488-L491 PolarHBondContact O-N 3.13Å; Q488-E492 PolarHBondContact O-N 2.69Å |
| 489 | T | 98.5 | Very high | 96.2 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -33.1 | 174.4 | -59 | 0 | 0 | 0 | 0 | 112.6 | R485 K486 K493 | R485-T489 PolarHBondContact O-N 3.01Å; R485-T489 PolarHBondContact O-OG1 2.76Å; K486-T489 PolarHBondContact O-N 2.97Å; T489-K493 VanDerWaalsContact O-CB 3.27Å; T489-K493 WeakPolarHBondContact O-CB 3.42Å; T489-K493 PolarHBondContact O-N 3.12Å |
| 490 | I | 98.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.2 | -37.4 | 175.9 | -64.9 | 158.6 | 0 | 0 | 0 | 111.4 | V432 E436 V439 L458 K486 V487 Q488 K493 L494 | V432-I490 HydrophobicContact CG1-CD1 3.37Å; E436-I490 HydrophobicContact CB-CD1 3.75Å; E436-I490 HydrophobicContact CB-CG1 4.17Å; E436-I490 HydrophobicContact CG-CD1 4.09Å; E436-I490 HydrophobicContact CG-CG1 4.14Å; V439-I490 HydrophobicContact CB-CG2 4.13Å; V439-I490 HydrophobicContact CG1-CG2 4.48Å; V439-I490 HydrophobicContact CG2-CG2 3.6Å; L458-I490 HydrophobicContact CD1-CG2 3.79Å; L458-I490 HydrophobicContact CD2-CB 4.15Å; L458-I490 HydrophobicContact CD2-CG2 3.65Å; L458-I490 HydrophobicContact CG-CG2 4.4Å; K486-I490 HydrophobicContact CD-CD1 4.3Å; K486-I490 HydrophobicContact CG-CD1 3.92Å; K486-I490 WeakPolarHBondContact O-CD1 3.24Å; K486-I490 VanDerWaalsContact O-CG1 3.26Å; K486-I490 WeakPolarHBondContact O-CG1 2.98Å; K486-I490 PolarHBondContact O-N 2.74Å; V487-I490 PolarHBondContact O-N 3.43Å; Q488-I490 VanDerWaalsContact C-N 3.29Å; Q488-I490 PolarHBondContact O-N 2.9Å; I490-K493 PolarHBondContact O-N 3.32Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 2.71Å |
| 491 | L | 97.4 | Very high | 93 | Very high | 37 Ų | 37 | 70.2 Ų | 70.2 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 172.1 | -79.5 | 165.9 | 0 | 0 | 0 | 111.5 | E455 L458 L462 V487 Q488 K493 L494 E495 | E455-L491 HydrophobicContact CG-CD2 4.13Å; L458-L491 HydrophobicContact CB-CD1 4.34Å; L458-L491 HydrophobicContact CB-CD2 3.7Å; L458-L491 HydrophobicContact CB-CG 3.88Å; L458-L491 HydrophobicContact CD1-CD2 3.72Å; L458-L491 HydrophobicContact CD1-CG 3.97Å; L458-L491 HydrophobicContact CG-CD2 4.36Å; L458-L491 HydrophobicContact CG-CG 4.49Å; L462-L491 HydrophobicContact CD1-CD1 3.91Å; V487-L491 HydrophobicContact CG1-CD1 4.29Å; V487-L491 PolarHBondContact O-N 2.76Å; Q488-L491 PolarHBondContact O-N 3.13Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 3.21Å; L491-L494 WeakPolarHBondContact O-CB 3.33Å; L491-L494 PolarHBondContact O-N 2.76Å; L491-E495 PolarHBondContact O-N 3.3Å |
| 492 | E | 97.4 | Very high | 90.9 | Very high | 117 Ų | 117 | 69.4 Ų | 69.4 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 173.7 | -177.5 | 178.8 | -159.3 | 0 | 0 | 111.2 | Q488 L494 E495 Q496 | Q488-E492 PolarHBondContact O-N 2.69Å; E492-L494 VanDerWaalsContact C-N 3.34Å; E492-L494 PolarHBondContact O-N 3.12Å; E492-E495 PolarHBondContact O-N 3.01Å; E492-Q496 VanDerWaalsContact O-CG 3.22Å; E492-Q496 WeakPolarHBondContact O-CG 3.47Å; E492-Q496 PolarHBondContact O-N 3.04Å |
| 493 | K | 97.3 | Very high | 88.5 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 35% | 0.352 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 175.7 | -167.6 | -179.8 | -170.4 | -175.2 | 0 | 112.5 | V439 D440 T489 I490 L491 K497 | V439-K493 HydrophobicContact CG1-CB 4.18Å; V439-K493 HydrophobicContact CG1-CD 4.29Å; V439-K493 HydrophobicContact CG1-CG 4.06Å; D440-K493 WeakPolarHBondContact OD1-CE 3.44Å; D440-K493 IonicContact OD1-NZ 3.71Å; D440-K493 PolarHBondContact OD1-NZ 2.93Å; D440-K493 IonicContact OD2-NZ 2.69Å; D440-K493 PolarHBondContact OD2-NZ 3.42Å; T489-K493 VanDerWaalsContact O-CB 3.27Å; T489-K493 WeakPolarHBondContact O-CB 3.42Å; T489-K493 PolarHBondContact O-N 3.12Å; I490-K493 PolarHBondContact O-N 3.32Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 3.21Å; K493-K497 WeakPolarHBondContact O-CB 3.38Å; K493-K497 VanDerWaalsContact O-CG 3.3Å; K493-K497 WeakPolarHBondContact O-CG 3.3Å; K493-K497 PolarHBondContact O-N 3.44Å |
| 494 | L | 96.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 174.3 | 176.9 | 57.9 | 0 | 0 | 0 | 111.1 | V439 F442 Y451 I454 E455 L458 I490 L491 E492 K497 A498 | V439-L494 HydrophobicContact CG1-CB 3.93Å; V439-L494 HydrophobicContact CG2-CB 3.83Å; V439-L494 HydrophobicContact CG2-CD1 4.17Å; V439-L494 HydrophobicContact CG2-CD2 4.31Å; V439-L494 HydrophobicContact CG2-CG 4.3Å; F442-L494 HydrophobicContact CB-CD1 4.21Å; F442-L494 HydrophobicContact CD1-CD1 3.86Å; F442-L494 HydrophobicContact CD2-CD1 4.16Å; F442-L494 HydrophobicContact CE1-CD1 4.35Å; F442-L494 HydrophobicContact CG-CD1 3.77Å; Y451-L494 HydrophobicContact CD2-CD1 3.71Å; Y451-L494 HydrophobicContact CD2-CD2 4.22Å; Y451-L494 HydrophobicContact CD2-CG 3.75Å; Y451-L494 HydrophobicContact CE2-CD1 4.07Å; Y451-L494 HydrophobicContact CE2-CD2 4.16Å; Y451-L494 HydrophobicContact CE2-CG 3.61Å; I454-L494 HydrophobicContact CB-CD2 4.02Å; I454-L494 HydrophobicContact CG2-CD2 3.85Å; E455-L494 HydrophobicContact CB-CD2 4.18Å; L458-L494 HydrophobicContact CD1-CD2 4.1Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 2.71Å; L491-L494 WeakPolarHBondContact O-CB 3.33Å; L491-L494 PolarHBondContact O-N 2.76Å; E492-L494 VanDerWaalsContact C-N 3.34Å; E492-L494 PolarHBondContact O-N 3.12Å; L494-K497 PolarHBondContact O-N 3.36Å; L494-A498 VanDerWaalsContact O-CB 3.27Å; L494-A498 WeakPolarHBondContact O-CB 3.5Å; L494-A498 PolarHBondContact O-N 3.39Å |
| 495 | E | 94.7 | Very high | 83.5 | Confident | 95 Ų | 95 | 81.6 Ų | 81.6 | 44% | 0.444 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.8 | -163.3 | -172.9 | -178.7 | 0 | 0 | 111.5 | K446 L491 E492 K497 A498 | K446-E495 HydrophobicContact CD-CG 4.35Å; K446-E495 VanDerWaalsContact NZ-CG 3.3Å; K446-E495 IonicContact NZ-OE1 3.27Å; K446-E495 PolarHBondContact NZ-OE1 2.75Å; L491-E495 PolarHBondContact O-N 3.3Å; E492-E495 PolarHBondContact O-N 3.01Å; E495-K497 VanDerWaalsContact C-N 3.28Å; E495-K497 PolarHBondContact O-N 3.5Å; E495-A498 PolarHBondContact O-N 3.23Å |
| 496 | Q | 95.1 | Very high | 80.7 | Confident | 151 Ų | 151 | 81.6 Ų | 81.6 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.3 | -26.5 | 179.4 | -64.5 | -73 | 4.3 | 0 | 0 | 113.2 | E492 | E492-Q496 VanDerWaalsContact O-CG 3.22Å; E492-Q496 WeakPolarHBondContact O-CG 3.47Å; E492-Q496 PolarHBondContact O-N 3.04Å |
| 497 | K | 93.1 | Very high | 78.2 | Confident | 69 Ų | 69 | 85 Ų | 85 | 30% | 0.3 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -86.5 | -16.2 | 174.4 | -74.8 | -167.1 | 74.3 | -156 | 0 | 113.7 | V439 D440 F442 K493 L494 E495 I499 | V439-K497 PolarHBondContact O-NZ 3.31Å; D440-K497 VanDerWaalsContact C-NZ 3.31Å; D440-K497 PolarHBondContact O-NZ 3.04Å; F442-K497 HydrophobicContact CD1-CB 4.45Å; F442-K497 VanDerWaalsContact O-CE 3.25Å; F442-K497 WeakPolarHBondContact O-CE 3.19Å; F442-K497 PolarHBondContact O-NZ 3.47Å; K493-K497 WeakPolarHBondContact O-CB 3.38Å; K493-K497 VanDerWaalsContact O-CG 3.3Å; K493-K497 WeakPolarHBondContact O-CG 3.3Å; K493-K497 PolarHBondContact O-N 3.44Å; L494-K497 PolarHBondContact O-N 3.36Å; E495-K497 VanDerWaalsContact C-N 3.28Å; E495-K497 PolarHBondContact O-N 3.5Å; K497-I499 PolarHBondContact O-N 3.37Å |
| 498 | A | 92.8 | Very high | 75.5 | Confident | 3 Ų | 3 | 93.1 Ų | 93.1 | 3% | 0.025 | 49% | 0.492 | C | S | . | . | B | Isolated β-bridge | trans | -90.1 | 103.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F442 K446 Y451 L494 E495 D500 | F442-A498 HydrophobicContact CE1-CB 3.88Å; K446-A498 HydrophobicContact CG-CB 3.63Å; Y451-A498 HydrophobicContact CD2-CB 3.39Å; Y451-A498 HydrophobicContact CE2-CB 3.45Å; Y451-A498 VanDerWaalsContact CE2-CB 3.45Å; Y451-A498 HydrophobicContact CG-CB 4.49Å; L494-A498 VanDerWaalsContact O-CB 3.27Å; L494-A498 WeakPolarHBondContact O-CB 3.5Å; L494-A498 PolarHBondContact O-N 3.39Å; E495-A498 PolarHBondContact O-N 3.23Å; A498-D500 PolarHBondContact O-N 3.2Å |
| 499 | I | 79.6 | Confident | 73.1 | Confident | 122 Ų | 122 | 96.2 Ų | 96.2 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | trans | -60.1 | 107.8 | -177.5 | -56.9 | 177.6 | 0 | 0 | 0 | 108.5 | G444 K445 K497 V501 | G444-I499 PolarHBondContact O-N 2.63Å; K445-I499 WeakPolarHBondContact CA-O 3.41Å; K445-I499 VanDerWaalsContact CB-O 3.25Å; K445-I499 WeakPolarHBondContact CB-O 3.4Å; K497-I499 PolarHBondContact O-N 3.37Å; I499-V501 PolarHBondContact O-N 3.36Å | ||
| 500 | D | 74.5 | Confident | 70.3 | Confident | 93 Ų | 93 | 98.7 Ų | 98.7 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | trans | -75.4 | 126.1 | 178 | -151.6 | -19.2 | 0 | 0 | 0 | 108.8 | K446 A498 P502 | K446-D500 HydrophobicContact CD-CB 4.3Å; K446-D500 VanDerWaalsContact CE-OD2 3.3Å; K446-D500 WeakPolarHBondContact CE-OD2 3.46Å; K446-D500 IonicContact NZ-OD2 2.61Å; K446-D500 PolarHBondContact NZ-OD2 3.44Å; A498-D500 PolarHBondContact O-N 3.2Å; D500-P502 VanDerWaalsContact O-CD 3.29Å; D500-P502 WeakPolarHBondContact O-CD 3.49Å | ||
| 501 | V | 52.4 | Low | 67.1 | Low | 98 Ų | 98 | 106 Ų | 106 | 59% | 0.594 | 55% | 0.55 | S | S | * | . | trans | -96.9 | 102.1 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 105.5 | I499 G503 | I499-V501 PolarHBondContact O-N 3.36Å; V501-G503 PolarHBondContact O-N 2.72Å | ||
| 502 | P | 53.5 | Low | 64.6 | Low | 129 Ų | 129 | 110.3 Ų | 110.3 | 84% | 0.838 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -66.8 | 97.3 | -168.7 | 26.2 | -35.2 | 0 | 0 | 0 | 110.6 | D500 | D500-P502 VanDerWaalsContact O-CD 3.29Å; D500-P502 WeakPolarHBondContact O-CD 3.49Å |
| 503 | G | 48.4 | Very low | 61.8 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 62% | 0.619 | 59% | 0.591 | S | S | * | * | trans | 117.4 | 76.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V501 | V501-G503 PolarHBondContact O-N 2.72Š| ||
| 504 | Q | 41.3 | Very low | 59.1 | Low | 145 Ų | 145 | 113.3 Ų | 113.3 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | -150.5 | 92.5 | 121.5 | -81.7 | -133.2 | 37.8 | 0 | 0 | 110.4 | Q506 | Q504-Q506 PolarHBondContact O-N 3.15Š| |||
| 505 | V | 48.2 | Very low | 56.5 | Low | 142 Ų | 142 | 121.1 Ų | 121.1 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | trans | -74.6 | 79.2 | 162.3 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | V507 | V505-V507 PolarHBondContact O-N 3.14Š| ||
| 506 | Q | 41.5 | Very low | 54.2 | Low | 122 Ų | 122 | 125.3 Ų | 125.3 | 57% | 0.57 | 67% | 0.673 | S | S | * | * | trans | -83.1 | 103.9 | 174.8 | -132.2 | 175.3 | 90.1 | 0 | 0 | 108.2 | Q504 Y508 | Q504-Q506 PolarHBondContact O-N 3.15Å; Q506-Y508 PolarHBondContact O-N 3.49Å | ||
| 507 | V | 45.4 | Very low | 51.5 | Low | 132 Ų | 132 | 122.3 Ų | 122.3 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | trans | -65.7 | 96.8 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | V505 | V505-V507 PolarHBondContact O-N 3.14Š| ||
| 508 | Y | 41.3 | Very low | 49.5 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | trans | -102.9 | 91.3 | 172.1 | -119.6 | -68.1 | 0 | 0 | 0 | 109.9 | Q506 L510 | Q506-Y508 PolarHBondContact O-N 3.49Å; Y508-L510 HydrophobicContact CD1-CD1 4.38Å; Y508-L510 HydrophobicContact CD1-CD2 3.53Å; Y508-L510 HydrophobicContact CD1-CG 3.75Å; Y508-L510 HydrophobicContact CE1-CD2 3.87Å; Y508-L510 HydrophobicContact CG-CG 4.43Å; Y508-L510 PolarHBondContact O-N 3.27Å | ||
| 509 | E | 48.4 | Very low | 47.2 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | -65.7 | 97.4 | 163.7 | -175.2 | -175.5 | 132.3 | 0 | 0 | 108.3 | ||||
| 510 | L | 38.9 | Very low | 45.8 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | -104.6 | 117.3 | 175.7 | -72.2 | 179 | 0 | 0 | 0 | 110.7 | Y508 | Y508-L510 HydrophobicContact CD1-CD1 4.38Å; Y508-L510 HydrophobicContact CD1-CD2 3.53Å; Y508-L510 HydrophobicContact CD1-CG 3.75Å; Y508-L510 HydrophobicContact CE1-CD2 3.87Å; Y508-L510 HydrophobicContact CG-CG 4.43Å; Y508-L510 PolarHBondContact O-N 3.27Å | ||
| 511 | Q | 31.7 | Very low | 44.6 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -67 | 143.2 | 172.7 | -62.7 | 176.6 | 9.1 | 0 | 0 | 110.5 | S513 | Q511-S513 PolarHBondContact O-N 3.09Š| ||
| 512 | P | 44.6 | Very low | 44.4 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | -70.6 | 102.3 | -177.3 | 28.8 | -34.9 | 0 | 0 | 0 | 111.3 | ||||
| 513 | S | 37.5 | Very low | 44 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -99.9 | 114.4 | 169.8 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | Q511 | Q511-S513 PolarHBondContact O-N 3.09Š| ||
| 514 | N | 41.4 | Very low | 44.3 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -66 | 136.4 | 167.9 | -86.7 | -105.3 | 0 | 0 | 0 | 109.4 | ||||
| 515 | L | 43.1 | Very low | 45 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | -163.5 | 127.1 | 116.2 | -126.2 | 81.8 | 0 | 0 | 0 | 112.6 | |||||
| 516 | E | 45.7 | Very low | 45.1 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -14.6 | 129.1 | 154.5 | -167.3 | 169.1 | 100.2 | 0 | 0 | 118.5 | ||||
| 517 | A | 39.1 | Very low | 45.4 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -154.2 | 82 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q519 | A517-Q519 PolarHBondContact O-N 3.23Š| ||
| 518 | D | 49.2 | Very low | 45.4 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -67.7 | 124.1 | 170.1 | -167.6 | -89.2 | 0 | 0 | 0 | 109.6 | ||||
| 519 | Q | 46 | Very low | 45.5 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -150.9 | 123.6 | 178 | -137.7 | 172.8 | 107.4 | 0 | 0 | 109.3 | A517 | A517-Q519 PolarHBondContact O-N 3.23Š| ||
| 520 | P | 49.7 | Very low | 45.3 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 58% | 0.578 | 74% | 0.743 | S | S | * | * | trans | -71.5 | 137.2 | -171.1 | 27.2 | -34.5 | 0 | 0 | 0 | 112.1 | Q522 | P520-Q522 PolarHBondContact O-N 3.21Š| ||
| 521 | L | 50.1 | Low | 45.6 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 60% | 0.597 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -11.7 | -174.2 | -68.3 | 167.8 | 0 | 0 | 0 | 115.6 | A523 | L521-A523 PolarHBondContact O-N 3.4Š|
| 522 | Q | 47.3 | Very low | 46.1 | Very low | 149 Ų | 149 | 127 Ų | 127 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -63.2 | -40.9 | -174.6 | -65.6 | 174.3 | -6.5 | 0 | 0 | 112.9 | P520 I524 M525 E526 | P520-Q522 PolarHBondContact O-N 3.21Å; Q522-I524 PolarHBondContact O-N 3.47Å; Q522-I524 VanDerWaalsContact O-N 3.12Å; Q522-M525 PolarHBondContact O-N 3.11Å; Q522-E526 PolarHBondContact O-N 3.14Å |
| 523 | A | 45.3 | Very low | 45.8 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 56% | 0.562 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -64.7 | -20.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L521 | L521-A523 PolarHBondContact O-N 3.4Å |
| 524 | I | 54.2 | Low | 46 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -89.1 | -21.5 | 177.4 | -61.1 | 177.9 | 0 | 0 | 0 | 111.2 | Q522 | Q522-I524 PolarHBondContact O-N 3.47Å; Q522-I524 VanDerWaalsContact O-N 3.12Å |
| 525 | M | 56.3 | Low | 45.6 | Very low | 120 Ų | 120 | 129 Ų | 129 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -89 | -18.5 | -178 | -61.5 | -178.9 | 67.1 | 0 | 0 | 113.4 | Q522 | Q522-M525 PolarHBondContact O-N 3.11Å |
| 526 | E | 51 | Low | 45.7 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -78.7 | -21.7 | -169 | -161.5 | 170.7 | 174.7 | 0 | 0 | 114.8 | Q522 G528 | Q522-E526 PolarHBondContact O-N 3.14Å; E526-G528 PolarHBondContact O-N 3.41Å |
| 527 | M | 47.4 | Very low | 45.1 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -76.4 | 14.8 | -176.8 | -69.7 | -161.7 | -71.8 | 0 | 0 | 115.5 | ||
| 528 | G | 44.8 | Very low | 44.9 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -94.7 | -6.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | E526 | E526-G528 PolarHBondContact O-N 3.41Š|
| 529 | A | 43.5 | Very low | 44.1 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | -120.6 | 26.1 | -151.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 530 | V | 43.8 | Very low | 43.3 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | trans | -135.6 | 72.8 | 177.5 | -166.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 531 | A | 44.9 | Very low | 42.4 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -153.6 | 16.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 532 | A | 42.8 | Very low | 41.6 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -155 | 95.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 533 | D | 37.8 | Very low | 40.9 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | -175 | 138.2 | 122.7 | -177.1 | -117.5 | 0 | 0 | 0 | 112.2 | |||||
| 534 | K | 42.9 | Very low | 40.6 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 146.8 | 130.7 | 159.9 | -90 | 171 | -179.6 | 173.1 | 0 | 109.1 | ||||
| 535 | G | 32.5 | Very low | 40.4 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | cis | -177.4 | 139.4 | -7.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 536 | K | 44.8 | Very low | 39.2 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -100.6 | 119 | -165 | -179.3 | 174.6 | -178 | 171.8 | 0 | 113.3 | ||||
| 537 | K | 34.5 | Very low | 38.3 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -166.4 | 116.1 | 157.5 | -113.8 | 163.7 | -173.6 | 177.8 | 0 | 116.2 | ||||
| 538 | N | 33.2 | Very low | 37.3 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | 20 | 154.8 | 145.3 | -65.6 | 19.2 | 0 | 0 | 0 | 125 | ||||
| 539 | A | 32.8 | Very low | 36.6 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | 77.2 | 147.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 540 | G | 29.5 | Very low | 35.9 | Very low | 63 Ų | 63 | 139.5 Ų | 139.5 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | cis | 156.3 | 138.6 | -6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 541 | N | 30.2 | Very low | 35.4 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | 63.1 | 161.6 | -164.3 | -55.8 | -9.7 | 0 | 0 | 0 | 112.6 | ||||
| 542 | G | 33.3 | Very low | 35.7 | Very low | 64 Ų | 64 | 140.5 Ų | 140.5 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 163.5 | 167.5 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 543 | E | 32.6 | Very low | 35.1 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | 70.8 | 109.4 | 165.5 | -61.3 | 169.9 | 91 | 0 | 0 | 118.8 | ||||
| 544 | D | 39 | Very low | 35.1 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -63.1 | 166.3 | 148.6 | -56.3 | -99.2 | 0 | 0 | 0 | 110.9 | ||||
| 545 | P | 51.8 | Low | 34.8 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | -147.4 | 161 | 100.9 | 36 | -19.5 | 0 | 0 | 0 | 116.7 | |||||
| 546 | H | 31.1 | Very low | 35 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | 9.8 | 152.4 | 134.4 | -79.3 | -104.8 | 0 | 0 | 0 | 119.4 | ||||
| 547 | T | 30.4 | Very low | 34.4 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | cis | -171.8 | 160.7 | 34.9 | -11.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 548 | E | 26.7 | Very low | 34.4 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | 80.6 | 129.5 | 125.5 | -158 | 160.8 | 118.9 | 0 | 0 | 125.8 | |||||
| 549 | T | 29.6 | Very low | 34.4 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 60% | 0.595 | 77% | 0.772 | S | S | * | * | trans | 70.7 | 111.8 | 140 | -68.4 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 550 | Q | 30.4 | Very low | 34.4 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 55.3 | 147.4 | 124.2 | -50.1 | 173.4 | 42.5 | 0 | 0 | 124.8 | |||||
| 551 | Q | 32.5 | Very low | 34.5 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -43.3 | 173.1 | 148.5 | -102.5 | -173.1 | -22.2 | 0 | 0 | 115.2 | ||||
| 552 | P | 52.2 | Low | 35.8 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -146.3 | 179.7 | 34.2 | 42.6 | -21.9 | 0 | 0 | 0 | 119.1 | ||||
| 553 | E | 29.4 | Very low | 35.7 | Very low | 181 Ų | 181 | 131 Ų | 131 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | 49.2 | 163.6 | 146.5 | -76 | -175.9 | 71 | 0 | 0 | 123.6 | ||||
| 554 | A | 38.6 | Very low | 35.8 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | cis | -177 | 138.4 | -41.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 555 | T | 35.3 | Very low | 35.6 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -161.6 | 109 | 163.7 | -38.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 556 | A | 36.2 | Very low | 35 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | 56 | 130.9 | 79.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 557 | A | 33.7 | Very low | 35.3 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | cis | -143.9 | -164.1 | 3.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 558 | A | 34.2 | Very low | 35.9 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | -151 | -132.1 | 11 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 559 | T | 33 | Very low | 37.3 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -141.2 | 155.9 | -169.8 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 560 | S | 32.2 | Very low | 37.5 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -163.8 | 142.1 | 152.4 | -81.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 561 | N | 32.9 | Very low | 37.8 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -112.3 | -153 | 179.7 | -60.6 | -46.3 | 0 | 0 | 0 | 110.6 | ||||
| 562 | P | 56 | Low | 39.2 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | -131.7 | -167.7 | -121.2 | 37.7 | -14.4 | 0 | 0 | 0 | 116 | |||||
| 563 | S | 31.3 | Very low | 38.8 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 93.7 | 125.6 | 150.9 | -57.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 564 | S | 34.3 | Very low | 39.6 | Very low | 119 Ų | 119 | 115.4 Ų | 115.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -169 | 93 | 151.8 | -74.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 565 | T | 35.4 | Very low | 40.9 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | 79.4 | 102.6 | 67.5 | -55 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 566 | T | 40.5 | Very low | 41.2 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -146.9 | 150.8 | 161.8 | -45.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 567 | D | 37.2 | Very low | 41.4 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -82.8 | 142.9 | -163.9 | -96 | -79.5 | 0 | 0 | 0 | 118 | ||||
| 568 | T | 43.3 | Very low | 41.8 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | 32.1 | 143.7 | 105 | -38 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 569 | P | 54.6 | Low | 42.3 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | cis | -133.1 | 166.4 | 12.4 | 19.6 | 5.9 | 0 | 0 | 0 | 118 | ||||
| 570 | G | 34.4 | Very low | 42.9 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | 110.4 | 116.3 | 114.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 571 | N | 35.6 | Very low | 43.6 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | 69.8 | 156 | 159.8 | -93.7 | 6.2 | 0 | 0 | 0 | 120.1 | ||||
| 572 | P | 62.7 | Low | 44.3 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | trans | -135 | -163 | -150.9 | 38.7 | -16.5 | 0 | 0 | 0 | 115 | ||||
| 573 | T | 44.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 81.8 | 86.5 | 159.5 | -47.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 574 | A | 45.9 | Very low | 44.5 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 70% | 0.702 | 82% | 0.815 | S | S | * | * | 38.1 | 155.8 | 101.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 575 | P | 64.9 | Low | 45.4 | Very low | 203 Ų | 203 | 126.7 Ų | 126.7 | 100% | 1.318 | 81% | 0.814 | S | S | * | * | cis | -99.5 | 0 | 5.1 | 37.8 | -32.3 | 0 | 0 | 0 | 115 |
Retrieved 575 of 575 residues in 512.2 ms
(Link to these results)