| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41 | Very low | 36.8 | Very low | 235 Ų | 235 | 160.3 Ų | 160.3 | 100% | 1.158 | 86% | 0.859 | S | S | * | * | 0 | 103.6 | 0 | -63.3 | 175.7 | 91.8 | 0 | 0 | 107.4 | |||||
| 2 | L | 34.5 | Very low | 37.1 | Very low | 156 Ų | 156 | 164.8 Ų | 164.8 | 82% | 0.817 | 86% | 0.855 | S | S | * | * | trans | 163.1 | 92.9 | 166.9 | -99.5 | 155 | 0 | 0 | 0 | 107.3 | ||||
| 3 | F | 30.3 | Very low | 37.1 | Very low | 220 Ų | 220 | 162.8 Ų | 162.8 | 97% | 0.965 | 84% | 0.844 | S | S | * | * | trans | -157.2 | 90.7 | 153.4 | -97.1 | -66.2 | 0 | 0 | 0 | 105.9 | ||||
| 4 | S | 34.5 | Very low | 37.2 | Very low | 106 Ų | 106 | 159.4 Ų | 159.4 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -120.4 | 148.1 | 179.3 | -49.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 5 | A | 39.3 | Very low | 37.2 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | 62.4 | 89.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 6 | L | 37 | Very low | 37.1 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -157.3 | 65.3 | 140.8 | -147.5 | 89.7 | 0 | 0 | 0 | 112.7 | ||||
| 7 | L | 38.5 | Very low | 37.1 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -157.4 | 63.5 | 169.4 | -154.1 | 84 | 0 | 0 | 0 | 113.2 | ||||
| 8 | L | 36.8 | Very low | 36.9 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -158.3 | 50.4 | 173.1 | -130.2 | 136.7 | 0 | 0 | 0 | 114 | ||||
| 9 | E | 34.9 | Very low | 37.2 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -145.6 | 56.7 | 174.4 | -83.5 | -62.4 | 172.6 | 0 | 0 | 111.5 | ||||
| 10 | V | 37.2 | Very low | 38.3 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -143.9 | 59.4 | 170.9 | -163.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 11 | I | 41.3 | Very low | 40.6 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | -134 | 34.8 | 168.4 | -41.4 | -179.1 | 0 | 0 | 0 | 111.2 | ||||
| 12 | W | 39.6 | Very low | 43.2 | Very low | 215 Ų | 215 | 129.8 Ų | 129.8 | 81% | 0.814 | 73% | 0.726 | S | S | * | * | trans | -137 | 42 | 178.9 | -79.5 | 103.4 | 0 | 0 | 0 | 113.5 | ||||
| 13 | I | 37.9 | Very low | 46.2 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -132.7 | 86.2 | 169.9 | -52 | -179.7 | 0 | 0 | 0 | 110 | ||
| 14 | L | 37.6 | Very low | 49.4 | Very low | 114 Ų | 114 | 115.1 Ų | 115.1 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -172.2 | -7.4 | 148.2 | -102.6 | 175.1 | 0 | 0 | 0 | 112.2 | ||
| 15 | A | 38.2 | Very low | 52.4 | Low | 91 Ų | 91 | 115.1 Ų | 115.1 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -106.5 | 34.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 16 | A | 34.7 | Very low | 55 | Low | 93 Ų | 93 | 112.4 Ų | 112.4 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | trans | -140.4 | 49.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 17 | D | 37.5 | Very low | 57.8 | Low | 146 Ų | 146 | 109.1 Ų | 109.1 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -111 | 147.7 | 150 | -168.9 | 14.7 | 0 | 0 | 0 | 108 | G19 | D17-G19 PolarHBondContact O-N 2.75Š|
| 18 | G | 33.9 | Very low | 60.6 | Low | 84 Ų | 84 | 104.2 Ų | 104.2 | 87% | 0.866 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -73 | 25.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 19 | G | 42.2 | Very low | 63.4 | Low | 41 Ų | 41 | 96.5 Ų | 96.5 | 42% | 0.423 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -81.2 | 159 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | D17 | D17-G19 PolarHBondContact O-N 2.75Š|
| 20 | Q | 59.3 | Low | 66.5 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -72 | 143.1 | 171.8 | -59 | -162.2 | 19.1 | 0 | 0 | 110.1 | W22 H28 | Q20-W22 PolarHBondContact O-N 3.35Å; Q20-H28 PolarHBondContact OE1-CE1 2.84Å; Q20-H28 PolarHBondContact OE1-NE2 3.32Å |
| 21 | H | 86.6 | Confident | 69.4 | Low | 112 Ų | 112 | 90.3 Ų | 90.3 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -58 | 125.9 | -176.5 | -176 | 89.7 | 0 | 0 | 0 | 111.3 | H28 H84 | H21-H28 WeakPolarHBondContact O-CB 3.08Å; H21-H84 AromaticContact CE1-CE1 3.48Å; H21-H84 PolarHBondContact CE1-CE1 2.6Å; H21-H84 VanDerWaalsContact CE1-CE1 3.48Å; H21-H84 AromaticContact CE1-NE2 3.95Å; H21-H84 AromaticContact NE2-CE1 3.42Å; H21-H84 PolarHBondContact NE2-CE1 2.97Å; H21-H84 AromaticContact NE2-NE2 3.44Å; H21-H84 PolarHBondContact NE2-NE2 2.91Å |
| 22 | W | 96.3 | Very high | 72 | Confident | 31 Ų | 31 | 88.3 Ų | 88.3 | 12% | 0.117 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 151.9 | -174.9 | 69.9 | -95.1 | 0 | 0 | 0 | 112.7 | Q20 Y24 W33 Y37 H84 T218 P219 | Q20-W22 PolarHBondContact O-N 3.35Å; W22-Y24 AromaticContact CH2-CE2 3.89Å; W22-Y24 HydrophobicContact CH2-CE2 3.89Å; W22-Y24 AromaticContact CZ3-CD2 3.92Å; W22-Y24 HydrophobicContact CZ3-CD2 3.92Å; W22-Y24 HydrophobicContact CZ3-CE1 4.34Å; W22-Y24 AromaticContact CZ3-CE2 3.63Å; W22-Y24 HydrophobicContact CZ3-CE2 3.63Å; W22-Y24 HydrophobicContact CZ3-CG 4.41Å; W22-Y24 AromaticContact CZ3-CZ 3.87Å; W22-W33 HydrophobicContact CD2-CZ2 4.47Å; W22-W33 AromaticContact CE3-CE2 3.81Å; W22-W33 HydrophobicContact CE3-CH2 4.38Å; W22-W33 AromaticContact CE3-CZ2 3.46Å; W22-W33 HydrophobicContact CE3-CZ2 3.46Å; W22-W33 VanDerWaalsContact CE3-CZ2 3.46Å; W22-W33 AromaticContact CE3-NE1 3.9Å; W22-W33 HydrophobicContact CZ3-CH2 4.18Å; W22-W33 AromaticContact CZ3-CZ2 3.6Å; W22-W33 HydrophobicContact CZ3-CZ2 3.6Å; W22-Y37 HydrophobicContact CB-CE2 4.07Å; W22-H84 AromaticContact CD2-NE2 3.76Å; W22-H84 AromaticContact CE2-CD2 3.98Å; W22-H84 AromaticContact CE2-CE1 3.69Å; W22-H84 AromaticContact CE2-NE2 3.63Å; W22-H84 AromaticContact CE3-CD2 3.93Å; W22-H84 AromaticContact CE3-NE2 3.92Å; W22-H84 HydrophobicContact CH2-CB 3.72Å; W22-H84 AromaticContact CH2-CD2 3.33Å; W22-H84 WeakPolarHBondContact CH2-CD2 3.25Å; W22-H84 AromaticContact CH2-CG 3.45Å; W22-H84 VanDerWaalsContact CH2-CG 3.45Å; W22-H84 AromaticContact CH2-NE2 3.87Å; W22-H84 HydrophobicContact CZ2-CB 4.08Å; W22-H84 AromaticContact CZ2-CD2 3.58Å; W22-H84 AromaticContact CZ2-CE1 3.7Å; W22-H84 AromaticContact CZ2-CG 3.52Å; W22-H84 AromaticContact CZ2-ND1 3.6Å; W22-H84 AromaticContact CZ2-NE2 3.69Å; W22-H84 AromaticContact CZ3-CD2 3.52Å; W22-H84 AromaticContact CZ3-NE2 3.98Å; W22-H84 PolarHBondContact O-NE2 3.06Å; W22-T218 HydrophobicContact CH2-CG2 3.5Å; W22-T218 HydrophobicContact CZ2-CG2 3.99Å; W22-T218 HydrophobicContact CZ3-CG2 4.26Å; W22-P219 HydrophobicContact CB-CG 3.98Å; W22-P219 HydrophobicContact CD2-CB 4.5Å; W22-P219 HydrophobicContact CD2-CG 3.84Å; W22-P219 HydrophobicContact CE3-CG 4.31Å; W22-P219 HydrophobicContact CG-CB 4.1Å; W22-P219 HydrophobicContact CG-CG 3.66Å |
| 23 | T | 97.3 | Very high | 74.8 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 30% | 0.301 | 47% | 0.468 | S | S | . | . | trans | -132.6 | 166.9 | 173.8 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | E25 H28 G29 W33 | T23-E25 WeakPolarHBondContact CB-O 3.02Å; T23-E25 PolarHBondContact OG1-O 2.84Å; T23-H28 PolarHBondContact N-O 3.39Å; T23-H28 VanDerWaalsContact OG1-C 3.28Å; T23-H28 PolarHBondContact OG1-O 3.23Å; T23-G29 CarbonylContact O-C 3.49Å; T23-G29 VanDerWaalsContact O-CA 3.24Å; T23-G29 WeakPolarHBondContact O-CA 3.44Å; T23-G29 PolarHBondContact OG1-N 2.82Å; T23-W33 PolarHBondContact O-NE1 2.66Å | ||
| 24 | Y | 97.9 | Very high | 77.7 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 8% | 0.075 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -73.2 | -38.7 | 169.4 | -73.6 | -84.8 | 0 | 0 | 0 | 111.5 | W22 G29 Q30 W33 H84 T218 N262 | W22-Y24 AromaticContact CH2-CE2 3.89Å; W22-Y24 HydrophobicContact CH2-CE2 3.89Å; W22-Y24 AromaticContact CZ3-CD2 3.92Å; W22-Y24 HydrophobicContact CZ3-CD2 3.92Å; W22-Y24 HydrophobicContact CZ3-CE1 4.34Å; W22-Y24 AromaticContact CZ3-CE2 3.63Å; W22-Y24 HydrophobicContact CZ3-CE2 3.63Å; W22-Y24 HydrophobicContact CZ3-CG 4.41Å; W22-Y24 AromaticContact CZ3-CZ 3.87Å; Y24-G29 CarbonylContact O-C 3.57Å; Y24-G29 VanDerWaalsContact O-CA 3.24Å; Y24-G29 WeakPolarHBondContact O-CA 3.35Å; Y24-Q30 WeakPolarHBondContact O-CG 3.38Å; Y24-Q30 PolarHBondContact O-N 2.85Å; Y24-W33 HydrophobicContact CD1-CH2 4.1Å; Y24-W33 HydrophobicContact CD1-CZ2 4.13Å; Y24-W33 AromaticContact CE1-CH2 3.99Å; Y24-W33 HydrophobicContact CE1-CH2 3.99Å; Y24-W33 HydrophobicContact CE1-CZ2 4.35Å; Y24-H84 HydrophobicContact CE2-CB 4.38Å; Y24-T218 WeakPolarHBondContact OH-CG2 3.4Å; Y24-N262 HydrophobicContact CD2-CB 3.94Å; Y24-N262 VanDerWaalsContact CE1-C 3.45Å; Y24-N262 VanDerWaalsContact CE2-CA 3.48Å; Y24-N262 HydrophobicContact CE2-CB 3.56Å; Y24-N262 VanDerWaalsContact CZ-O 3.25Å; Y24-N262 PolarHBondContact OH-O 3.23Å |
| 25 | E | 95.9 | Very high | 80.5 | Confident | 107 Ų | 107 | 73.1 Ų | 73.1 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -121.4 | 156.3 | -175.3 | -69.5 | -56.5 | 130.3 | 0 | 0 | 113 | T23 | T23-E25 WeakPolarHBondContact CB-O 3.02Å; T23-E25 PolarHBondContact OG1-O 2.84Å |
| 26 | G | 95.6 | Very high | 83.2 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 42% | 0.423 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 88.5 | -156.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H28 G29 H32 | G26-H28 PolarHBondContact O-N 2.91Å; G26-H28 VanDerWaalsContact O-N 3.15Å; G26-G29 WeakPolarHBondContact O-CA 3.4Å; G26-G29 PolarHBondContact O-N 3.22Å; G26-H32 PolarHBondContact O-ND1 3.28Å |
| 27 | P | 95.2 | Very high | 86.2 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 69% | 0.688 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.4 | -172.7 | -25.9 | 35.7 | 0 | 0 | 0 | 115.8 | ||
| 28 | H | 96 | Very high | 89.1 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 31% | 0.31 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 19.9 | 173.4 | -50 | -58.5 | 0 | 0 | 0 | 111.7 | Q20 H21 T23 G26 W33 | Q20-H28 PolarHBondContact OE1-CE1 2.84Å; Q20-H28 PolarHBondContact OE1-NE2 3.32Å; H21-H28 WeakPolarHBondContact O-CB 3.08Å; T23-H28 PolarHBondContact N-O 3.39Å; T23-H28 VanDerWaalsContact OG1-C 3.28Å; T23-H28 PolarHBondContact OG1-O 3.23Å; G26-H28 PolarHBondContact O-N 2.91Å; G26-H28 VanDerWaalsContact O-N 3.15Å; H28-W33 PolarHBondContact O-NE1 2.71Å |
| 29 | G | 97.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -65.4 | 171.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T23 Y24 G26 D31 H32 W33 | T23-G29 CarbonylContact O-C 3.49Å; T23-G29 VanDerWaalsContact O-CA 3.24Å; T23-G29 WeakPolarHBondContact O-CA 3.44Å; T23-G29 PolarHBondContact OG1-N 2.82Å; Y24-G29 CarbonylContact O-C 3.57Å; Y24-G29 VanDerWaalsContact O-CA 3.24Å; Y24-G29 WeakPolarHBondContact O-CA 3.35Å; G26-G29 WeakPolarHBondContact O-CA 3.4Å; G26-G29 PolarHBondContact O-N 3.22Å; G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.11Å; G29-H32 WeakPolarHBondContact O-CA 3.35Å; G29-H32 WeakPolarHBondContact O-CB 3.45Å; G29-H32 PolarHBondContact O-N 2.78Å; G29-W33 PolarHBondContact O-N 2.79Å |
| 30 | Q | 98.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 64.8 Ų | 64.8 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -57.3 | -35.4 | -172.9 | 62.8 | -173.4 | -61.6 | 0 | 0 | 114.8 | Y24 H32 W33 R264 | Y24-Q30 WeakPolarHBondContact O-CG 3.38Å; Y24-Q30 PolarHBondContact O-N 2.85Å; Q30-H32 PolarHBondContact O-N 3.1Å; Q30-W33 HydrophobicContact CB-CD2 4.09Å; Q30-W33 HydrophobicContact CB-CE3 4.24Å; Q30-W33 HydrophobicContact CB-CH2 4.06Å; Q30-W33 HydrophobicContact CB-CZ2 3.89Å; Q30-W33 HydrophobicContact CB-CZ3 4.23Å; Q30-W33 PolarHBondContact O-N 3.03Å; Q30-R264 VanDerWaalsContact OE1-CA 3.29Å |
| 31 | D | 98.1 | Very high | 96.6 | Very high | 141 Ų | 141 | 61.2 Ų | 61.2 | 75% | 0.754 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -60.5 | -24.1 | 174 | -65.2 | -28.7 | 0 | 0 | 0 | 113.2 | G29 | G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.11Å |
| 32 | H | 97.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 58.8 Ų | 58.8 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -103.8 | -9.7 | -176.5 | -56 | 97.2 | 0 | 0 | 0 | 113.3 | G26 G29 Q30 P34 A35 | G26-H32 PolarHBondContact O-ND1 3.28Å; G29-H32 WeakPolarHBondContact O-CA 3.35Å; G29-H32 WeakPolarHBondContact O-CB 3.45Å; G29-H32 PolarHBondContact O-N 2.78Å; Q30-H32 PolarHBondContact O-N 3.1Å; H32-P34 VanDerWaalsContact C-N 3.33Å; H32-A35 WeakPolarHBondContact O-CB 3.34Å; H32-A35 PolarHBondContact O-N 3.39Å |
| 33 | W | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.015 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -52.7 | -41.3 | 179 | -66 | -6.8 | 0 | 0 | 0 | 113.8 | W22 T23 Y24 H28 G29 Q30 A35 S36 Y37 C40 T217 P219 R264 | W22-W33 HydrophobicContact CD2-CZ2 4.47Å; W22-W33 AromaticContact CE3-CE2 3.81Å; W22-W33 HydrophobicContact CE3-CH2 4.38Å; W22-W33 AromaticContact CE3-CZ2 3.46Å; W22-W33 HydrophobicContact CE3-CZ2 3.46Å; W22-W33 VanDerWaalsContact CE3-CZ2 3.46Å; W22-W33 AromaticContact CE3-NE1 3.9Å; W22-W33 HydrophobicContact CZ3-CH2 4.18Å; W22-W33 AromaticContact CZ3-CZ2 3.6Å; W22-W33 HydrophobicContact CZ3-CZ2 3.6Å; T23-W33 PolarHBondContact O-NE1 2.66Å; Y24-W33 HydrophobicContact CD1-CH2 4.1Å; Y24-W33 HydrophobicContact CD1-CZ2 4.13Å; Y24-W33 AromaticContact CE1-CH2 3.99Å; Y24-W33 HydrophobicContact CE1-CH2 3.99Å; Y24-W33 HydrophobicContact CE1-CZ2 4.35Å; H28-W33 PolarHBondContact O-NE1 2.71Å; G29-W33 PolarHBondContact O-N 2.79Å; Q30-W33 HydrophobicContact CB-CD2 4.09Å; Q30-W33 HydrophobicContact CB-CE3 4.24Å; Q30-W33 HydrophobicContact CB-CH2 4.06Å; Q30-W33 HydrophobicContact CB-CZ2 3.89Å; Q30-W33 HydrophobicContact CB-CZ3 4.23Å; Q30-W33 PolarHBondContact O-N 3.03Å; W33-A35 PolarHBondContact O-N 3.19Å; W33-S36 PolarHBondContact O-N 3.02Å; W33-Y37 PolarHBondContact O-N 3.34Å; W33-C40 HydrophobicContact CB-CB 3.85Å; W33-T217 VanDerWaalsContact CZ3-O 3.26Å; W33-T217 WeakPolarHBondContact CZ3-O 3.49Å; W33-P219 HydrophobicContact CB-CG 4.36Å; W33-P219 HydrophobicContact CD2-CG 3.47Å; W33-P219 VanDerWaalsContact CD2-CG 3.47Å; W33-P219 HydrophobicContact CE3-CG 3.83Å; W33-P219 HydrophobicContact CG-CG 3.72Å; W33-P219 HydrophobicContact CZ2-CG 4.35Å; W33-P219 HydrophobicContact CZ3-CG 4.4Å; W33-R264 HydrophobicContact CH2-CB 4.47Å; W33-R264 HydrophobicContact CH2-CG 4.28Å; W33-R264 HydrophobicContact CZ3-CB 4.44Å; W33-R264 HydrophobicContact CZ3-CG 3.87Å |
| 34 | P | 98 | Very high | 97.3 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 34% | 0.344 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.3 | -22.3 | 177.8 | -26.2 | 36 | 0 | 0 | 0 | 115 | H32 C40 | H32-P34 VanDerWaalsContact C-N 3.33Å; P34-C40 HydrophobicContact CG-CB 4.31Å |
| 35 | A | 96.4 | Very high | 97.3 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 76% | 0.76 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -77.2 | -23.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H32 W33 | H32-A35 WeakPolarHBondContact O-CB 3.34Å; H32-A35 PolarHBondContact O-N 3.39Å; W33-A35 PolarHBondContact O-N 3.19Å |
| 36 | S | 95.7 | Very high | 97.5 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -111.6 | -25.3 | 176.7 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | W33 | W33-S36 PolarHBondContact O-N 3.02Å |
| 37 | Y | 97.2 | Very high | 97.6 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -132 | 86 | -176 | -54.8 | -81.1 | 0 | 0 | 0 | 108.5 | W22 W33 E39 C40 P219 P220 | W22-Y37 HydrophobicContact CB-CE2 4.07Å; W33-Y37 PolarHBondContact O-N 3.34Å; Y37-E39 VanDerWaalsContact C-N 3.26Å; Y37-E39 PolarHBondContact O-N 3.41Å; Y37-E39 VanDerWaalsContact O-N 3.11Å; Y37-C40 VanDerWaalsContact CB-SG 3.53Å; Y37-C40 VanDerWaalsContact O-CB 3.26Å; Y37-C40 WeakPolarHBondContact O-CB 3.15Å; Y37-C40 PolarHBondContact O-N 3.13Å; Y37-P219 HydrophobicContact CD1-CB 3.92Å; Y37-P219 HydrophobicContact CD2-CB 3.62Å; Y37-P219 HydrophobicContact CD2-CG 3.94Å; Y37-P219 HydrophobicContact CE1-CB 4Å; Y37-P219 HydrophobicContact CE2-CB 3.72Å; Y37-P219 HydrophobicContact CE2-CG 4.08Å; Y37-P219 HydrophobicContact CG-CB 3.72Å; Y37-P219 HydrophobicContact CG-CG 4.43Å; Y37-P220 HydrophobicContact CD1-CB 4.14Å; Y37-P220 HydrophobicContact CD1-CG 4.49Å |
| 38 | P | 97.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -57.2 | -32.1 | -167.7 | -30.1 | 37.1 | 0 | 0 | 0 | 115.4 | C40 G41 | P38-C40 PolarHBondContact O-N 2.91Å; P38-G41 PolarHBondContact O-N 2.66Å |
| 39 | E | 97.6 | Very high | 98 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 33% | 0.327 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -60.7 | -27.8 | 175.4 | -74.7 | -62.2 | 151.7 | 0 | 0 | 112.8 | Y37 G41 N42 Q45 P220 Y222 | Y37-E39 VanDerWaalsContact C-N 3.26Å; Y37-E39 PolarHBondContact O-N 3.41Å; Y37-E39 VanDerWaalsContact O-N 3.11Å; E39-G41 PolarHBondContact O-N 3.2Å; E39-G41 VanDerWaalsContact O-N 3.12Å; E39-N42 WeakPolarHBondContact O-CB 3.28Å; E39-N42 PolarHBondContact O-N 3.38Å; E39-N42 PolarHBondContact OE2-ND2 3.01Å; E39-Q45 PolarHBondContact O-NE2 3.3Å; E39-P220 WeakPolarHBondContact CB-O 3.24Å; E39-Y222 HydrophobicContact CG-CD1 4.33Å |
| 40 | C | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -61.8 | -20.7 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | W33 P34 Y37 P38 C221 R264 | W33-C40 HydrophobicContact CB-CB 3.85Å; P34-C40 HydrophobicContact CG-CB 4.31Å; Y37-C40 VanDerWaalsContact CB-SG 3.53Å; Y37-C40 VanDerWaalsContact O-CB 3.26Å; Y37-C40 WeakPolarHBondContact O-CB 3.15Å; Y37-C40 PolarHBondContact O-N 3.13Å; P38-C40 PolarHBondContact O-N 2.91Å; C40-C221 VanDerWaalsContact CA-CB 3.47Å; C40-C221 VanDerWaalsContact CA-SG 3.56Å; C40-C221 HydrophobicContact CB-CB 3.71Å; C40-C221 WeakPolarHBondContact CB-SG 3.44Å; C40-C221 WeakPolarHBondContact SG-CB 3.47Å; C40-C221 CovalentContact SG-SG 2.03Å; C40-C221 PolarHBondContact SG-SG 3.04Å; C40-R264 PolarHBondContact O-NH2 3.1Å |
| 41 | G | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 49 Ų | 49 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -95.9 | 7.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P38 E39 | P38-G41 PolarHBondContact O-N 2.66Å; E39-G41 PolarHBondContact O-N 3.2Å; E39-G41 VanDerWaalsContact O-N 3.12Å |
| 42 | N | 97.9 | Very high | 97.9 | Very high | 61 Ų | 61 | 43.3 Ų | 43.3 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -83 | 176.1 | -175.5 | -154.5 | -12.5 | 0 | 0 | 0 | 112 | E39 Q45 Q223 | E39-N42 WeakPolarHBondContact O-CB 3.28Å; E39-N42 PolarHBondContact O-N 3.38Å; E39-N42 PolarHBondContact OE2-ND2 3.01Å; N42-Q45 WeakPolarHBondContact O-CG 3.37Å; N42-Q223 PolarHBondContact ND2-NE2 2.87Å |
| 43 | N | 97.9 | Very high | 97.8 | Very high | 99 Ų | 99 | 44.9 Ų | 44.9 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -95.1 | -9.9 | -164.3 | 65.7 | 19.2 | 0 | 0 | 0 | 116.1 | N270 | N43-N270 WeakPolarHBondContact CA-ND2 3.35Å; N43-N270 HydrophobicContact CB-CB 4.39Å; N43-N270 VanDerWaalsContact O-CB 3.28Å; N43-N270 WeakPolarHBondContact O-CB 3.39Å; N43-N270 PolarHBondContact O-ND2 3.28Å |
| 44 | A | 98.4 | Very high | 97.7 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -110.4 | 38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G214 Q223 R272 | A44-G214 CarbonylContact O-C 3.52Å; A44-G214 VanDerWaalsContact O-CA 3.3Å; A44-G214 WeakPolarHBondContact O-CA 3.37Å; A44-Q223 VanDerWaalsContact CA-OE1 3.25Å; A44-R272 PolarHBondContact O-NH1 2.86Å |
| 45 | Q | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | trans | -78.4 | 161.3 | -175.7 | -68.7 | -70.9 | -66 | 0 | 0 | 114.1 | E39 N42 S215 C221 Q267 R272 | E39-Q45 PolarHBondContact O-NE2 3.3Å; N42-Q45 WeakPolarHBondContact O-CG 3.37Å; Q45-S215 WeakPolarHBondContact CA-OG 3.39Å; Q45-S215 PolarHBondContact OE1-OG 3.48Å; Q45-C221 PolarHBondContact NE2-O 3.34Å; Q45-C221 VanDerWaalsContact OE1-CB 3.28Å; Q45-Q267 HydrophobicContact CB-CB 3.9Å; Q45-Q267 HydrophobicContact CB-CG 3.87Å; Q45-R272 VanDerWaalsContact O-CZ 3.26Å; Q45-R272 PolarHBondContact O-NH1 2.9Å; Q45-R272 PolarHBondContact O-NH2 2.94Å | ||
| 46 | S | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -127.1 | 156.3 | 176.6 | -68 | 0 | 0 | 0 | 0 | 110.5 | Y212 G214 S215 W227 R264 | S46-Y212 WeakPolarHBondContact CB-OH 3.44Å; S46-Y212 WeakPolarHBondContact OG-CE2 3.33Å; S46-Y212 PolarHBondContact OG-OH 3.1Å; S46-G214 VanDerWaalsContact OG-CA 3.29Å; S46-G214 WeakPolarHBondContact OG-CA 3.49Å; S46-S215 WeakPolarHBondContact CB-O 3.19Å; S46-S215 PolarHBondContact N-OG 2.9Å; S46-S215 PolarHBondContact OG-N 3.04Å; S46-W227 PolarHBondContact OG-NE1 3.38Å; S46-R264 WeakPolarHBondContact O-CD 3.5Å; S46-R264 PolarHBondContact O-NH1 2.95Å |
| 47 | P | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | cis | -75.9 | -178.6 | 0.3 | 34.9 | -39.1 | 0 | 0 | 0 | 112.6 | E122 T217 R264 Q267 | P47-E122 HydrophobicContact CB-CB 3.8Å; P47-E122 VanDerWaalsContact CB-O 3.25Å; P47-E122 WeakPolarHBondContact CB-O 3.35Å; P47-E122 HydrophobicContact CG-CB 3.74Å; P47-E122 HydrophobicContact CG-CG 4.46Å; P47-E122 WeakPolarHBondContact CG-O 3.31Å; P47-T217 HydrophobicContact CB-CG2 4.45Å; P47-R264 WeakPolarHBondContact CG-O 3.34Å; P47-Q267 VanDerWaalsContact O-CB 3.27Å; P47-Q267 WeakPolarHBondContact O-CB 3.27Å; P47-Q267 PolarHBondContact O-N 2.59Å | ||
| 48 | I | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | trans | -137 | 159.7 | 174.7 | 61.3 | 170.3 | 0 | 0 | 0 | 111.3 | I50 Q124 Y212 L269 V274 | I48-I50 HydrophobicContact CD1-CG1 4.11Å; I48-I50 HydrophobicContact CG1-CG1 4.02Å; I48-Q124 PolarHBondContact O-N 3.23Å; I48-Y212 HydrophobicContact CD1-CD1 3.9Å; I48-Y212 HydrophobicContact CD1-CD2 3.84Å; I48-Y212 HydrophobicContact CD1-CE1 3.84Å; I48-Y212 HydrophobicContact CD1-CE2 3.82Å; I48-Y212 HydrophobicContact CD1-CG 3.91Å; I48-Y212 HydrophobicContact CG1-CD1 4.49Å; I48-Y212 HydrophobicContact CG1-CE1 3.94Å; I48-Y212 HydrophobicContact CG1-CE2 4.09Å; I48-Y212 HydrophobicContact CG2-CE2 4.23Å; I48-L269 HydrophobicContact CD1-CD1 3.9Å; I48-V274 HydrophobicContact CD1-CG2 3.65Å | ||
| 49 | D | 98.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 15% | 0.15 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.9 | 160.9 | 177.4 | 23.9 | 0 | 0 | 0 | 109.7 | Q51 Q124 N126 S127 | D49-Q51 PolarHBondContact OD2-NE2 2.85Å; D49-Q124 HydrophobicContact CB-CB 4.21Å; D49-N126 PolarHBondContact OD1-N 2.94Å; D49-S127 VanDerWaalsContact CG-N 3.35Å; D49-S127 WeakPolarHBondContact OD1-CA 3.19Å; D49-S127 PolarHBondContact OD1-N 3.26Å; D49-S127 PolarHBondContact OD2-N 2.89Å; D49-S127 PolarHBondContact OD2-OG 2.91Å |
| 50 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 97.9 | 179.7 | -57.4 | 176.3 | 0 | 0 | 0 | 108.8 | I48 T52 V55 Q124 I125 N126 F210 V229 V274 | I48-I50 HydrophobicContact CD1-CG1 4.11Å; I48-I50 HydrophobicContact CG1-CG1 4.02Å; I50-T52 PolarHBondContact O-N 3.2Å; I50-V55 HydrophobicContact CG2-CG1 3.83Å; I50-Q124 PolarHBondContact N-O 3.2Å; I50-I125 WeakPolarHBondContact O-CA 3.47Å; I50-N126 PolarHBondContact O-N 2.8Å; I50-F210 HydrophobicContact CD1-CB 3.96Å; I50-F210 HydrophobicContact CD1-CD2 3.81Å; I50-F210 HydrophobicContact CD1-CG 4.1Å; I50-F210 HydrophobicContact CG2-CB 4.45Å; I50-F210 HydrophobicContact CG2-CD1 3.97Å; I50-F210 HydrophobicContact CG2-CD2 3.83Å; I50-F210 HydrophobicContact CG2-CE1 4.13Å; I50-F210 HydrophobicContact CG2-CE2 3.98Å; I50-F210 HydrophobicContact CG2-CG 3.82Å; I50-F210 HydrophobicContact CG2-CZ 4.13Å; I50-V229 HydrophobicContact CD1-CB 3.9Å; I50-V229 HydrophobicContact CD1-CG1 3.98Å; I50-V229 HydrophobicContact CD1-CG2 4.17Å; I50-V274 HydrophobicContact CG2-CG1 4.11Å |
| 51 | Q | 98.3 | Very high | 97.7 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | trans | -81.4 | 111 | 176.4 | -63.3 | -176.5 | 6.4 | 0 | 0 | 110.1 | D49 D53 S54 V55 | D49-Q51 PolarHBondContact OD2-NE2 2.85Å; Q51-D53 PolarHBondContact O-N 2.83Å; Q51-S54 PolarHBondContact O-N 3.09Å; Q51-V55 PolarHBondContact O-N 3Å | ||
| 52 | T | 96.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.8 | -168.1 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | I50 I125 N126 F210 Q280 | I50-T52 PolarHBondContact O-N 3.2Å; T52-I125 HydrophobicContact CG2-CG2 3.65Å; T52-N126 WeakPolarHBondContact CG2-ND2 3.3Å; T52-N126 PolarHBondContact N-OD1 2.79Å; T52-N126 PolarHBondContact OG1-ND2 3.37Å; T52-N126 PolarHBondContact OG1-OD1 2.91Å; T52-F210 HydrophobicContact CG2-CZ 4.01Å; T52-Q280 PolarHBondContact O-NE2 2.8Å |
| 53 | D | 95.1 | Very high | 97.4 | Very high | 133 Ų | 133 | 51.8 Ų | 51.8 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -15.3 | 171.3 | 63.6 | -1.1 | 0 | 0 | 0 | 113.3 | Q51 | Q51-D53 PolarHBondContact O-N 2.83Š|
| 54 | S | 95.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 57% | 0.566 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -112.1 | -0.7 | -172 | -60.3 | 0 | 0 | 0 | 0 | 113 | Q51 | Q51-S54 PolarHBondContact O-N 3.09Š|
| 55 | V | 97.7 | Very high | 97.2 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 144.7 | 174.2 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | I50 Q51 F210 V274 A276 | I50-V55 HydrophobicContact CG2-CG1 3.83Å; Q51-V55 PolarHBondContact O-N 3Å; V55-F210 HydrophobicContact CG1-CD1 4Å; V55-F210 HydrophobicContact CG1-CE1 4.01Å; V55-F210 HydrophobicContact CG2-CE1 4.24Å; V55-V274 CarbonylContact C-O 3.48Å; V55-V274 VanDerWaalsContact CA-O 3.31Å; V55-V274 WeakPolarHBondContact CA-O 3.07Å; V55-V274 HydrophobicContact CG1-CB 4.12Å; V55-V274 HydrophobicContact CG1-CG1 3.95Å; V55-A276 HydrophobicContact CB-CB 4.3Å; V55-A276 HydrophobicContact CG2-CB 3.85Å |
| 56 | T | 97.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.8 | 173.2 | -59 | 0 | 0 | 0 | 0 | 109.4 | D58 V274 F275 A276 | T56-D58 PolarHBondContact O-N 3.45Å; T56-V274 PolarHBondContact N-O 3.06Å; T56-F275 HydrophobicContact CG2-CD1 4.16Å; T56-F275 HydrophobicContact CG2-CE1 4.29Å; T56-F275 CarbonylContact O-C 3.54Å; T56-F275 WeakPolarHBondContact O-CA 3.49Å; T56-A276 PolarHBondContact O-N 3.29Å |
| 57 | F | 97.6 | Very high | 97.1 | Very high | 99 Ų | 99 | 54.8 Ų | 54.8 | 43% | 0.434 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 126 | 168.5 | 171.3 | -119.6 | 0 | 0 | 0 | 109.9 | P59 A276 | F57-P59 HydrophobicContact CE1-CB 3.91Å; F57-P59 HydrophobicContact CE1-CG 4.45Å; F57-P59 HydrophobicContact CZ-CB 3.8Å; F57-A276 WeakPolarHBondContact CD2-O 3.4Å |
| 58 | D | 97.2 | Very high | 97.1 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | trans | -119 | 107.4 | 177.3 | -177.4 | -8.3 | 0 | 0 | 0 | 109 | T56 D60 L61 F275 A276 | T56-D58 PolarHBondContact O-N 3.45Å; D58-D60 PolarHBondContact O-N 3.28Å; D58-D60 PolarHBondContact OD1-N 3.44Å; D58-L61 HydrophobicContact CB-CD1 3.93Å; D58-L61 HydrophobicContact CB-CG 3.86Å; D58-L61 PolarHBondContact O-N 3.26Å; D58-F275 HydrophobicContact CB-CB 4.22Å; D58-F275 HydrophobicContact CB-CD1 3.99Å; D58-F275 HydrophobicContact CB-CG 4.47Å; D58-A276 PolarHBondContact N-O 3.04Å | ||
| 59 | P | 95.6 | Very high | 97.1 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.2 | -179.4 | 32.5 | -36.2 | 0 | 0 | 0 | 113.4 | F57 | F57-P59 HydrophobicContact CE1-CB 3.91Å; F57-P59 HydrophobicContact CE1-CG 4.45Å; F57-P59 HydrophobicContact CZ-CB 3.8Å |
| 60 | D | 96.9 | Very high | 97 | Very high | 142 Ų | 142 | 59.9 Ų | 59.9 | 76% | 0.759 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -4 | -179.9 | -64.6 | -38.8 | 0 | 0 | 0 | 111.9 | D58 P62 | D58-D60 PolarHBondContact O-N 3.28Å; D58-D60 PolarHBondContact OD1-N 3.44Å; D60-P62 VanDerWaalsContact O-CD 3.26Å; D60-P62 WeakPolarHBondContact O-CD 3.42Å |
| 61 | L | 97.5 | Very high | 96.9 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | trans | -63.7 | 113.5 | 170.3 | -82.7 | 177.7 | 0 | 0 | 0 | 110.7 | D58 Y209 R211 F275 | D58-L61 HydrophobicContact CB-CD1 3.93Å; D58-L61 HydrophobicContact CB-CG 3.86Å; D58-L61 PolarHBondContact O-N 3.26Å; L61-Y209 HydrophobicContact CD1-CE2 4.06Å; L61-Y209 HydrophobicContact CD2-CE2 4.29Å; L61-R211 HydrophobicContact CD1-CB 4.21Å; L61-R211 HydrophobicContact CD2-CB 4.2Å; L61-R211 HydrophobicContact CD2-CG 4.1Å; L61-F275 HydrophobicContact CD1-CB 3.94Å | ||
| 62 | P | 96.2 | Very high | 96.8 | Very high | 61 Ų | 61 | 61.9 Ų | 61.9 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 158.7 | -177.2 | 32.6 | -37.6 | 0 | 0 | 0 | 111.4 | D60 L64 G98 Y209 | D60-P62 VanDerWaalsContact O-CD 3.26Å; D60-P62 WeakPolarHBondContact O-CD 3.42Å; P62-L64 PolarHBondContact O-N 2.8Å; P62-G98 VanDerWaalsContact CG-O 3.29Å; P62-G98 WeakPolarHBondContact CG-O 2.96Å; P62-Y209 PolarHBondContact O-OH 3.23Å |
| 63 | A | 94.9 | Very high | 96.7 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 49% | 0.488 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 134.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 64 | L | 95.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 6% | 0.058 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 133.2 | 174.2 | -171.5 | 76.8 | 0 | 0 | 0 | 109.9 | P62 P66 L96 L99 L160 F230 | P62-L64 PolarHBondContact O-N 2.8Å; L64-P66 WeakPolarHBondContact O-CD 3.32Å; L64-L96 HydrophobicContact CD1-CB 4.33Å; L64-L96 HydrophobicContact CD1-CD1 4.25Å; L64-L96 HydrophobicContact CD1-CD2 4.22Å; L64-L96 HydrophobicContact CD1-CG 4.49Å; L64-L96 HydrophobicContact CD2-CD2 4.31Å; L64-L96 HydrophobicContact CG-CD2 4.32Å; L64-L99 HydrophobicContact CD1-CG 4.41Å; L64-L160 HydrophobicContact CD1-CD2 4.37Å; L64-L160 HydrophobicContact CD2-CD1 3.88Å; L64-L160 HydrophobicContact CD2-CD2 3.63Å; L64-L160 HydrophobicContact CD2-CG 4.43Å; L64-F230 HydrophobicContact CD2-CE1 4.28Å; L64-F230 HydrophobicContact CD2-CZ 3.68Å |
| 65 | Q | 96.4 | Very high | 96.8 | Very high | 100 Ų | 100 | 63.8 Ų | 63.8 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 86.6 | -177 | -63.1 | 171.3 | 15.2 | 0 | 0 | 109.8 | H67 G97 | Q65-H67 PolarHBondContact O-CD2 3.06Å; Q65-H67 PolarHBondContact O-N 3.29Å; Q65-G97 PolarHBondContact N-O 3.18Å; Q65-G97 PolarHBondContact O-N 2.95Å |
| 66 | P | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 110.1 | 173.4 | 28.5 | -31.5 | 0 | 0 | 0 | 110 | L64 Y69 L96 L202 L206 | L64-P66 WeakPolarHBondContact O-CD 3.32Å; P66-Y69 HydrophobicContact CB-CD1 3.93Å; P66-Y69 HydrophobicContact CB-CD2 3.65Å; P66-Y69 HydrophobicContact CB-CE1 4.02Å; P66-Y69 HydrophobicContact CB-CE2 3.77Å; P66-Y69 HydrophobicContact CB-CG 3.73Å; P66-L96 HydrophobicContact CB-CD2 4.07Å; P66-L202 HydrophobicContact CB-CD1 4.45Å; P66-L202 HydrophobicContact CG-CD1 4.06Å; P66-L206 HydrophobicContact CG-CD1 4.24Å |
| 67 | H | 98.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.5 | -178.1 | -65.1 | -83.5 | 0 | 0 | 0 | 111.5 | Q65 Y69 L94 Y95 | Q65-H67 PolarHBondContact O-CD2 3.06Å; Q65-H67 PolarHBondContact O-N 3.29Å; H67-Y69 PolarHBondContact O-N 2.88Å; H67-L94 WeakPolarHBondContact O-CA 3.49Å; H67-Y95 HydrophobicContact CB-CD1 3.93Å; H67-Y95 HydrophobicContact CB-CD2 4.37Å; H67-Y95 HydrophobicContact CB-CE1 3.58Å; H67-Y95 HydrophobicContact CB-CE2 4.05Å; H67-Y95 HydrophobicContact CB-CG 4.31Å; H67-Y95 AromaticContact CD2-CD2 3.76Å; H67-Y95 AromaticContact CD2-CE2 3.18Å; H67-Y95 WeakPolarHBondContact CD2-CE2 3.47Å; H67-Y95 AromaticContact CD2-CZ 3.5Å; H67-Y95 VanDerWaalsContact CD2-CZ 3.5Å; H67-Y95 AromaticContact CG-CE2 3.72Å; H67-Y95 AromaticContact CG-CZ 3.51Å; H67-Y95 PolarHBondContact N-O 3.09Å; H67-Y95 AromaticContact NE2-CE2 3.82Å; H67-Y95 PolarHBondContact O-N 3.36Å |
| 68 | G | 98.2 | Very high | 97 | Very high | 30 Ų | 30 | 63.1 Ų | 63.1 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 75.8 | -2.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D70 Q71 L94 | G68-D70 PolarHBondContact O-N 3.33Å; G68-Q71 CarbonylContact O-C 3.56Å; G68-Q71 PolarHBondContact O-N 2.82Å; G68-Q71 VanDerWaalsContact O-O 3.12Å; G68-L94 WeakPolarHBondContact O-CD2 3.35Å |
| 69 | Y | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.9 | -178.1 | -91.7 | -128.8 | 0 | 0 | 0 | 113.2 | P66 H67 Q71 L94 L96 I136 H138 L198 L202 | P66-Y69 HydrophobicContact CB-CD1 3.93Å; P66-Y69 HydrophobicContact CB-CD2 3.65Å; P66-Y69 HydrophobicContact CB-CE1 4.02Å; P66-Y69 HydrophobicContact CB-CE2 3.77Å; P66-Y69 HydrophobicContact CB-CG 3.73Å; H67-Y69 PolarHBondContact O-N 2.88Å; Y69-Q71 VanDerWaalsContact C-N 3.29Å; Y69-L94 HydrophobicContact CD2-CD2 3.71Å; Y69-L94 HydrophobicContact CE2-CB 4.5Å; Y69-L94 HydrophobicContact CE2-CD2 4.36Å; Y69-L94 HydrophobicContact CG-CD2 4.33Å; Y69-L96 HydrophobicContact CE2-CD2 4.34Å; Y69-I136 HydrophobicContact CE1-CD1 3.91Å; Y69-H138 AromaticContact CZ-NE2 3.79Å; Y69-H138 PolarHBondContact OH-CE1 3.17Å; Y69-H138 PolarHBondContact OH-NE2 3.4Å; Y69-L198 HydrophobicContact CD1-CB 3.83Å; Y69-L198 HydrophobicContact CG-CB 4.23Å; Y69-L198 WeakPolarHBondContact O-CB 3.18Å; Y69-L198 PolarHBondContact O-N 3.35Å; Y69-L202 HydrophobicContact CD1-CD1 4.09Å; Y69-L202 HydrophobicContact CE1-CD1 4.11Å; Y69-L202 HydrophobicContact CE1-CD2 4.46Å |
| 70 | D | 97.7 | Very high | 97.2 | Very high | 105 Ų | 105 | 58.1 Ų | 58.1 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.8 | 174 | 52.7 | -52.6 | 0 | 0 | 0 | 113.7 | G68 N197 | G68-D70 PolarHBondContact O-N 3.33Å; D70-N197 WeakPolarHBondContact CA-OD1 3.48Å |
| 71 | Q | 96 | Very high | 97.3 | Very high | 135 Ų | 135 | 51.4 Ų | 51.4 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | trans | -147.2 | 83.6 | 178.7 | -169.9 | 177.2 | 10.1 | 0 | 0 | 110.8 | G68 Y69 G73 | G68-Q71 CarbonylContact O-C 3.56Å; G68-Q71 PolarHBondContact O-N 2.82Å; G68-Q71 VanDerWaalsContact O-O 3.12Å; Y69-Q71 VanDerWaalsContact C-N 3.29Å; Q71-G73 PolarHBondContact O-N 3.5Å | ||
| 72 | P | 95.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | trans | -77 | 55.9 | -177.1 | 34.7 | -38.4 | 0 | 0 | 0 | 112.5 | L77 L94 P195 F196 L198 | P72-L77 HydrophobicContact CB-CD1 4.38Å; P72-L77 HydrophobicContact CG-CD1 4.12Å; P72-L94 HydrophobicContact CB-CD1 3.89Å; P72-L94 HydrophobicContact CB-CD2 4.18Å; P72-L94 HydrophobicContact CB-CG 4.42Å; P72-P195 HydrophobicContact CG-CB 4.08Å; P72-F196 WeakPolarHBondContact CD-O 3.24Å; P72-F196 VanDerWaalsContact CG-O 3.23Å; P72-F196 WeakPolarHBondContact CG-O 3.32Å; P72-L198 HydrophobicContact CB-CD1 3.75Å; P72-L198 HydrophobicContact CB-CG 4.22Å; P72-L198 HydrophobicContact CG-CD1 4.12Å; P72-L198 HydrophobicContact CG-CG 4.03Å | ||
| 73 | G | 94.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | trans | 82.6 | -170.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q71 | Q71-G73 PolarHBondContact O-N 3.5Š| ||
| 74 | T | 95.7 | Very high | 97.6 | Very high | 109 Ų | 109 | 47.8 Ų | 47.8 | 67% | 0.669 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -110.3 | -23.7 | 176.9 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 75 | E | 97.6 | Very high | 97.8 | Very high | 133 Ų | 133 | 47.7 Ų | 47.7 | 62% | 0.621 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -78.6 | 146.8 | -177.1 | -54.2 | -46.6 | 111.7 | 0 | 0 | 110.9 | P195 | E75-P195 WeakPolarHBondContact O-CG 3.46Š|
| 76 | P | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 43 Ų | 43 | 51% | 0.506 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -55.7 | 140.9 | 173 | -23.1 | 33.8 | 0 | 0 | 0 | 112.2 | ||
| 77 | L | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.5 | -179.9 | -58.1 | 179.2 | 0 | 0 | 0 | 110 | P72 L79 L88 L90 V193 | P72-L77 HydrophobicContact CB-CD1 4.38Å; P72-L77 HydrophobicContact CG-CD1 4.12Å; L77-L79 PolarHBondContact O-N 2.92Å; L77-L88 HydrophobicContact CB-CD1 3.73Å; L77-L88 HydrophobicContact CB-CG 4.21Å; L77-L88 HydrophobicContact CD1-CD2 4.06Å; L77-L88 HydrophobicContact CD1-CG 4.48Å; L77-L90 HydrophobicContact CD1-CD2 4.41Å; L77-V193 PolarHBondContact N-O 2.92Å; L77-V193 PolarHBondContact O-N 2.86Å |
| 78 | D | 98.8 | Very high | 97.9 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.2 | 179.6 | -69.5 | -32.2 | 0 | 0 | 0 | 111.5 | L88 S89 | D78-L88 CarbonylContact O-C 3.53Å; D78-L88 WeakPolarHBondContact O-CA 3.13Å; D78-S89 PolarHBondContact O-N 2.86Å |
| 79 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.4 | 171.9 | -170.4 | 78 | 0 | 0 | 0 | 109.5 | L77 V86 Q87 L88 I177 H180 I184 K190 T191 V193 | L77-L79 PolarHBondContact O-N 2.92Å; L79-V86 HydrophobicContact CD1-CG2 3.56Å; L79-V86 HydrophobicContact CD2-CG2 4.22Å; L79-V86 HydrophobicContact CG-CG2 3.81Å; L79-Q87 WeakPolarHBondContact CA-O 3.37Å; L79-L88 HydrophobicContact CB-CD1 4Å; L79-L88 HydrophobicContact CD1-CB 3.89Å; L79-L88 HydrophobicContact CD1-CD1 3.76Å; L79-L88 HydrophobicContact CD1-CG 4.43Å; L79-I177 HydrophobicContact CD1-CG2 3.96Å; L79-H180 HydrophobicContact CD2-CB 3.74Å; L79-I184 HydrophobicContact CD2-CD1 3.65Å; L79-I184 HydrophobicContact CG-CD1 3.7Å; L79-K190 CarbonylContact O-C 3.33Å; L79-K190 VanDerWaalsContact O-CA 3.24Å; L79-K190 WeakPolarHBondContact O-CA 3.41Å; L79-T191 HydrophobicContact CB-CG2 4.13Å; L79-T191 HydrophobicContact CD2-CG2 4.18Å; L79-T191 PolarHBondContact N-O 3.21Å; L79-T191 PolarHBondContact O-N 3.43Å; L79-V193 HydrophobicContact CB-CG2 3.69Å; L79-V193 HydrophobicContact CD2-CG2 3.93Å; L79-V193 HydrophobicContact CG-CG2 4.26Å |
| 80 | H | 98.8 | Very high | 98 | Very high | 30 Ų | 30 | 43 Ų | 43 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130 | -167.9 | 175.2 | -140.2 | 0 | 0 | 0 | 111.3 | V86 Q87 D188 Q189 K190 | H80-V86 WeakPolarHBondContact O-CA 3.21Å; H80-Q87 PolarHBondContact N-O 3.01Å; H80-Q87 PolarHBondContact O-N 3.49Å; H80-D188 IonicContact NE2-OD1 2.97Å; H80-Q189 PolarHBondContact CD2-O 3.37Å; H80-K190 HydrophobicContact CB-CD 4.49Å; H80-K190 HydrophobicContact CB-CG 3.97Å; H80-K190 WeakPolarHBondContact CD2-CE 3.47Å; H80-K190 VanDerWaalsContact CD2-CG 3.45Å; H80-K190 WeakPolarHBondContact CD2-CG 3.5Å |
| 81 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 109.4 | 164.7 | 174.9 | 1.8 | 0 | 0 | 0 | 108.3 | G83 I184 S185 H186 D188 Q189 L248 F249 L259 | N81-G83 VanDerWaalsContact C-N 3.33Å; N81-G83 PolarHBondContact OD1-N 2.89Å; N81-I184 HydrophobicContact CB-CB 4.18Å; N81-I184 HydrophobicContact CB-CD1 4.25Å; N81-I184 HydrophobicContact CB-CG1 4.42Å; N81-I184 WeakPolarHBondContact CB-O 3.42Å; N81-I184 PolarHBondContact ND2-O 2.86Å; N81-S185 PolarHBondContact ND2-O 3.03Å; N81-H186 VanDerWaalsContact ND2-C 3.27Å; N81-H186 PolarHBondContact ND2-O 2.9Å; N81-D188 WeakPolarHBondContact O-CA 3.11Å; N81-D188 PolarHBondContact O-N 2.9Å; N81-Q189 PolarHBondContact N-O 2.85Å; N81-Q189 VanDerWaalsContact N-O 3.11Å; N81-L248 HydrophobicContact CB-CD2 4.5Å; N81-F249 PolarHBondContact ND2-O 3.14Å; N81-L259 WeakPolarHBondContact OD1-CD1 3.34Å |
| 82 | N | 98.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | trans | -90.7 | 6.3 | -179.5 | 68 | 11.1 | 0 | 0 | 0 | 113.7 | H84 T85 | N82-H84 VanDerWaalsContact C-N 3.28Å; N82-H84 PolarHBondContact O-N 3.46Å; N82-H84 WeakPolarHBondContact OD1-CA 3.23Å; N82-H84 PolarHBondContact OD1-N 3.32Å; N82-T85 PolarHBondContact N-O 3.38Å; N82-T85 VanDerWaalsContact N-O 3.14Å; N82-T85 PolarHBondContact OD1-N 3.12Å; N82-T85 PolarHBondContact OD1-O 3.08Å; N82-T85 VanDerWaalsContact OD1-O 3.11Å | ||
| 83 | G | 98.3 | Very high | 98.2 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 86 | -14.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | N81 S250 L259 | N81-G83 VanDerWaalsContact C-N 3.33Å; N81-G83 PolarHBondContact OD1-N 2.89Å; G83-S250 WeakPolarHBondContact O-CB 3.41Å; G83-L259 VanDerWaalsContact C-CD1 3.46Å; G83-L259 WeakPolarHBondContact O-CD1 3.23Å |
| 84 | H | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 12% | 0.12 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -115 | -22.3 | 176.3 | -56.5 | 110.3 | 0 | 0 | 0 | 113.3 | H21 W22 Y24 N82 N262 | H21-H84 AromaticContact CE1-CE1 3.48Å; H21-H84 PolarHBondContact CE1-CE1 2.6Å; H21-H84 VanDerWaalsContact CE1-CE1 3.48Å; H21-H84 AromaticContact CE1-NE2 3.95Å; H21-H84 AromaticContact NE2-CE1 3.42Å; H21-H84 PolarHBondContact NE2-CE1 2.97Å; H21-H84 AromaticContact NE2-NE2 3.44Å; H21-H84 PolarHBondContact NE2-NE2 2.91Å; W22-H84 AromaticContact CD2-NE2 3.76Å; W22-H84 AromaticContact CE2-CD2 3.98Å; W22-H84 AromaticContact CE2-CE1 3.69Å; W22-H84 AromaticContact CE2-NE2 3.63Å; W22-H84 AromaticContact CE3-CD2 3.93Å; W22-H84 AromaticContact CE3-NE2 3.92Å; W22-H84 HydrophobicContact CH2-CB 3.72Å; W22-H84 AromaticContact CH2-CD2 3.33Å; W22-H84 WeakPolarHBondContact CH2-CD2 3.25Å; W22-H84 AromaticContact CH2-CG 3.45Å; W22-H84 VanDerWaalsContact CH2-CG 3.45Å; W22-H84 AromaticContact CH2-NE2 3.87Å; W22-H84 HydrophobicContact CZ2-CB 4.08Å; W22-H84 AromaticContact CZ2-CD2 3.58Å; W22-H84 AromaticContact CZ2-CE1 3.7Å; W22-H84 AromaticContact CZ2-CG 3.52Å; W22-H84 AromaticContact CZ2-ND1 3.6Å; W22-H84 AromaticContact CZ2-NE2 3.69Å; W22-H84 AromaticContact CZ3-CD2 3.52Å; W22-H84 AromaticContact CZ3-NE2 3.98Å; W22-H84 PolarHBondContact O-NE2 3.06Å; Y24-H84 HydrophobicContact CE2-CB 4.38Å; N82-H84 VanDerWaalsContact C-N 3.28Å; N82-H84 PolarHBondContact O-N 3.46Å; N82-H84 WeakPolarHBondContact OD1-CA 3.23Å; N82-H84 PolarHBondContact OD1-N 3.32Å; H84-N262 WeakPolarHBondContact O-CB 3.47Å; H84-N262 PolarHBondContact O-ND2 2.76Å |
| 85 | T | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | trans | -164.6 | 170.3 | 177.1 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | N82 H109 L110 | N82-T85 PolarHBondContact N-O 3.38Å; N82-T85 VanDerWaalsContact N-O 3.14Å; N82-T85 PolarHBondContact OD1-N 3.12Å; N82-T85 PolarHBondContact OD1-O 3.08Å; N82-T85 VanDerWaalsContact OD1-O 3.11Å; T85-H109 HydrophobicContact CG2-CB 3.85Å; T85-L110 PolarHBondContact OG1-N 3.08Å; T85-L110 PolarHBondContact OG1-O 3.08Å | ||
| 86 | V | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.7 | 158.7 | 56.6 | 0 | 0 | 0 | 0 | 109.2 | L79 H80 H109 L110 W112 L181 I184 L244 L248 | L79-V86 HydrophobicContact CD1-CG2 3.56Å; L79-V86 HydrophobicContact CD2-CG2 4.22Å; L79-V86 HydrophobicContact CG-CG2 3.81Å; H80-V86 WeakPolarHBondContact O-CA 3.21Å; V86-H109 WeakPolarHBondContact O-CA 3.12Å; V86-H109 WeakPolarHBondContact O-CB 3.41Å; V86-L110 HydrophobicContact CG1-CB 4.38Å; V86-L110 HydrophobicContact CG1-CD1 4.08Å; V86-W112 HydrophobicContact CG1-CH2 4.07Å; V86-W112 HydrophobicContact CG1-CZ3 4Å; V86-L181 HydrophobicContact CB-CD2 4.25Å; V86-L181 HydrophobicContact CG1-CD2 4.1Å; V86-L181 HydrophobicContact CG2-CD2 3.91Å; V86-I184 HydrophobicContact CG2-CD1 3.71Å; V86-L244 HydrophobicContact CG1-CD1 4.5Å; V86-L248 HydrophobicContact CB-CD1 3.78Å; V86-L248 HydrophobicContact CG1-CD1 4.03Å |
| 87 | Q | 98.9 | Very high | 98.4 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 21% | 0.21 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.9 | -179.3 | -171.7 | -173.5 | -83.5 | 0 | 0 | 110.5 | L79 H80 Q107 L108 H109 | L79-Q87 WeakPolarHBondContact CA-O 3.37Å; H80-Q87 PolarHBondContact N-O 3.01Å; H80-Q87 PolarHBondContact O-N 3.49Å; Q87-Q107 HydrophobicContact CG-CB 3.78Å; Q87-Q107 HydrophobicContact CG-CG 4.1Å; Q87-L108 CarbonylContact C-O 3.49Å; Q87-L108 VanDerWaalsContact CA-O 3.31Å; Q87-L108 WeakPolarHBondContact CA-O 3.46Å; Q87-L108 WeakPolarHBondContact CG-O 3.37Å; Q87-H109 HydrophobicContact CB-CB 4.27Å; Q87-H109 HydrophobicContact CG-CB 4.31Å |
| 88 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.5 | 170.1 | -174.3 | 74.6 | 0 | 0 | 0 | 109.1 | L77 D78 L79 L90 Q107 L108 V193 F196 | L77-L88 HydrophobicContact CB-CD1 3.73Å; L77-L88 HydrophobicContact CB-CG 4.21Å; L77-L88 HydrophobicContact CD1-CD2 4.06Å; L77-L88 HydrophobicContact CD1-CG 4.48Å; D78-L88 CarbonylContact O-C 3.53Å; D78-L88 WeakPolarHBondContact O-CA 3.13Å; L79-L88 HydrophobicContact CB-CD1 4Å; L79-L88 HydrophobicContact CD1-CB 3.89Å; L79-L88 HydrophobicContact CD1-CD1 3.76Å; L79-L88 HydrophobicContact CD1-CG 4.43Å; L88-L90 HydrophobicContact CD2-CD2 4.19Å; L88-L90 HydrophobicContact CG-CD2 4.49Å; L88-Q107 CarbonylContact O-C 3.54Å; L88-Q107 WeakPolarHBondContact O-CA 3.39Å; L88-Q107 WeakPolarHBondContact O-CB 3.49Å; L88-L108 HydrophobicContact CB-CD1 3.62Å; L88-L108 HydrophobicContact CB-CG 3.99Å; L88-L108 HydrophobicContact CD2-CD1 4.21Å; L88-L108 HydrophobicContact CD2-CD2 4.35Å; L88-L108 HydrophobicContact CD2-CG 4.29Å; L88-L108 PolarHBondContact N-O 3.46Å; L88-L108 PolarHBondContact O-N 2.71Å; L88-V193 HydrophobicContact CD1-CB 4.12Å; L88-V193 HydrophobicContact CD1-CG2 4.14Å; L88-F196 HydrophobicContact CD2-CE1 3.99Å; L88-F196 HydrophobicContact CD2-CZ 4.35Å |
| 89 | S | 98.8 | Very high | 98.2 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 30% | 0.301 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 139 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 111 | D78 | D78-S89 PolarHBondContact O-N 2.86Å |
| 90 | L | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | trans | -123.4 | 138.9 | -177.2 | -64.2 | -177.3 | 0 | 0 | 0 | 111.4 | L77 L88 L94 A105 A106 L108 I136 L198 | L77-L90 HydrophobicContact CD1-CD2 4.41Å; L88-L90 HydrophobicContact CD2-CD2 4.19Å; L88-L90 HydrophobicContact CG-CD2 4.49Å; L90-L94 HydrophobicContact CB-CD1 3.88Å; L90-L94 HydrophobicContact CD1-CD1 4.45Å; L90-L94 HydrophobicContact CD2-CD1 4.25Å; L90-L94 HydrophobicContact CG-CD1 4.42Å; L90-A105 HydrophobicContact CB-CB 4.12Å; L90-A105 HydrophobicContact CD1-CB 4.1Å; L90-A106 PolarHBondContact N-O 2.91Å; L90-L108 HydrophobicContact CD1-CB 4.22Å; L90-L108 HydrophobicContact CD1-CD2 4.22Å; L90-L108 HydrophobicContact CD1-CG 4.26Å; L90-L108 HydrophobicContact CD2-CD2 4.43Å; L90-I136 HydrophobicContact CD1-CG2 3.86Å; L90-L198 HydrophobicContact CD1-CD1 4.33Å; L90-L198 HydrophobicContact CD2-CD1 3.63Å; L90-L198 HydrophobicContact CD2-CD2 4.44Å | ||
| 91 | P | 98.2 | Very high | 98 | Very high | 39 Ų | 39 | 35 Ų | 35 | 25% | 0.253 | 20% | 0.199 | S | C | . | . | trans | -71.8 | 140.7 | 177.1 | 28.9 | -35.9 | 0 | 0 | 0 | 112.3 | T93 L94 | P91-T93 PolarHBondContact O-N 3.43Å; P91-L94 HydrophobicContact CG-CD1 3.87Å; P91-L94 HydrophobicContact CG-CG 4.31Å; P91-L94 WeakPolarHBondContact O-CB 3.38Å; P91-L94 PolarHBondContact O-N 3.27Å | ||
| 92 | S | 97.7 | Very high | 97.9 | Very high | 70 Ų | 70 | 39 Ų | 39 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 3.8 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 115.1 | L94 V104 | S92-L94 VanDerWaalsContact C-N 3.25Å; S92-V104 WeakPolarHBondContact O-CG1 3.45Å |
| 93 | T | 98.2 | Very high | 98 | Very high | 98 Ų | 98 | 37.2 Ų | 37.2 | 60% | 0.601 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -25.6 | 164.9 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | P91 | P91-T93 PolarHBondContact O-N 3.43Š|
| 94 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -74.6 | 134.9 | 170.3 | -65 | 159.3 | 0 | 0 | 0 | 109.8 | H67 G68 Y69 P72 L90 P91 S92 V104 A105 L198 | H67-L94 WeakPolarHBondContact O-CA 3.49Å; G68-L94 WeakPolarHBondContact O-CD2 3.35Å; Y69-L94 HydrophobicContact CD2-CD2 3.71Å; Y69-L94 HydrophobicContact CE2-CB 4.5Å; Y69-L94 HydrophobicContact CE2-CD2 4.36Å; Y69-L94 HydrophobicContact CG-CD2 4.33Å; P72-L94 HydrophobicContact CB-CD1 3.89Å; P72-L94 HydrophobicContact CB-CD2 4.18Å; P72-L94 HydrophobicContact CB-CG 4.42Å; L90-L94 HydrophobicContact CB-CD1 3.88Å; L90-L94 HydrophobicContact CD1-CD1 4.45Å; L90-L94 HydrophobicContact CD2-CD1 4.25Å; L90-L94 HydrophobicContact CG-CD1 4.42Å; P91-L94 HydrophobicContact CG-CD1 3.87Å; P91-L94 HydrophobicContact CG-CG 4.31Å; P91-L94 WeakPolarHBondContact O-CB 3.38Å; P91-L94 PolarHBondContact O-N 3.27Å; S92-L94 VanDerWaalsContact C-N 3.25Å; L94-V104 CarbonylContact O-C 3.5Å; L94-V104 WeakPolarHBondContact O-CA 3.33Å; L94-A105 HydrophobicContact CB-CB 3.65Å; L94-A105 HydrophobicContact CD1-CB 4.29Å; L94-A105 PolarHBondContact O-N 3.47Å; L94-L198 HydrophobicContact CD1-CD1 3.87Å; L94-L198 HydrophobicContact CD2-CD1 4.3Å | ||
| 95 | Y | 98.7 | Very high | 98 | Very high | 74 Ų | 74 | 35.9 Ų | 35.9 | 29% | 0.29 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 162.8 | 175.5 | 69.5 | -84.9 | 0 | 0 | 0 | 113.6 | H67 K102 Y103 | H67-Y95 HydrophobicContact CB-CD1 3.93Å; H67-Y95 HydrophobicContact CB-CD2 4.37Å; H67-Y95 HydrophobicContact CB-CE1 3.58Å; H67-Y95 HydrophobicContact CB-CE2 4.05Å; H67-Y95 HydrophobicContact CB-CG 4.31Å; H67-Y95 AromaticContact CD2-CD2 3.76Å; H67-Y95 AromaticContact CD2-CE2 3.18Å; H67-Y95 WeakPolarHBondContact CD2-CE2 3.47Å; H67-Y95 AromaticContact CD2-CZ 3.5Å; H67-Y95 VanDerWaalsContact CD2-CZ 3.5Å; H67-Y95 AromaticContact CG-CE2 3.72Å; H67-Y95 AromaticContact CG-CZ 3.51Å; H67-Y95 PolarHBondContact N-O 3.09Å; H67-Y95 AromaticContact NE2-CE2 3.82Å; H67-Y95 PolarHBondContact O-N 3.36Å; Y95-K102 HydrophobicContact CD2-CD 4.47Å; Y95-K102 HydrophobicContact CD2-CG 3.95Å; Y95-K102 HydrophobicContact CG-CG 4.32Å; Y95-Y103 CarbonylContact C-O 3.37Å; Y95-Y103 VanDerWaalsContact CA-O 3.23Å; Y95-Y103 WeakPolarHBondContact CA-O 3.42Å; Y95-Y103 WeakPolarHBondContact CB-O 3.32Å |
| 96 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.9 | 174.4 | -58.3 | 177.1 | 0 | 0 | 0 | 110.7 | L64 P66 Y69 L99 Y103 H138 L160 | L64-L96 HydrophobicContact CD1-CB 4.33Å; L64-L96 HydrophobicContact CD1-CD1 4.25Å; L64-L96 HydrophobicContact CD1-CD2 4.22Å; L64-L96 HydrophobicContact CD1-CG 4.49Å; L64-L96 HydrophobicContact CD2-CD2 4.31Å; L64-L96 HydrophobicContact CG-CD2 4.32Å; P66-L96 HydrophobicContact CB-CD2 4.07Å; Y69-L96 HydrophobicContact CE2-CD2 4.34Å; L96-L99 HydrophobicContact CB-CD1 3.89Å; L96-L99 HydrophobicContact CD1-CD1 3.82Å; L96-Y103 PolarHBondContact N-O 3.05Å; L96-H138 WeakPolarHBondContact CG-NE2 3.36Å; L96-L160 HydrophobicContact CD1-CD1 4.34Å; L96-L160 HydrophobicContact CD1-CD2 3.85Å; L96-L160 HydrophobicContact CD1-CG 4.09Å; L96-L160 HydrophobicContact CD2-CD1 4.04Å |
| 97 | G | 95.6 | Very high | 98 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 165.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q65 | Q65-G97 PolarHBondContact N-O 3.18Å; Q65-G97 PolarHBondContact O-N 2.95Å |
| 98 | G | 94.6 | Very high | 98 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 81.8 | 26.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P62 | P62-G98 VanDerWaalsContact CG-O 3.29Å; P62-G98 WeakPolarHBondContact CG-O 2.96Å |
| 99 | L | 97.4 | Very high | 98 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -130.9 | 164.7 | 173.7 | -67.4 | 178.5 | 0 | 0 | 0 | 110.3 | L64 L96 R101 Y103 A158 L226 | L64-L99 HydrophobicContact CD1-CG 4.41Å; L96-L99 HydrophobicContact CB-CD1 3.89Å; L96-L99 HydrophobicContact CD1-CD1 3.82Å; L99-R101 PolarHBondContact O-N 3.47Å; L99-R101 VanDerWaalsContact O-N 3.1Å; L99-Y103 HydrophobicContact CB-CD2 3.66Å; L99-Y103 HydrophobicContact CB-CE2 3.8Å; L99-Y103 HydrophobicContact CD1-CD2 3.41Å; L99-Y103 VanDerWaalsContact CD1-CD2 3.41Å; L99-Y103 HydrophobicContact CD1-CE2 4Å; L99-Y103 HydrophobicContact CD1-CG 4.01Å; L99-Y103 HydrophobicContact CG-CD2 4.18Å; L99-A158 HydrophobicContact CD1-CB 3.73Å; L99-L226 HydrophobicContact CD2-CD2 4.12Å |
| 100 | P | 96.5 | Very high | 98 | Very high | 80 Ų | 80 | 34.3 Ų | 34.3 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -64.5 | -12.1 | -177.8 | -23.9 | 35.6 | 0 | 0 | 0 | 115.8 | L226 | P100-L226 HydrophobicContact CG-CD2 4.38Š|
| 101 | R | 97.3 | Very high | 98 | Very high | 130 Ų | 130 | 33.6 Ų | 33.6 | 49% | 0.491 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -143.9 | 164.2 | -179.2 | -64.1 | -73.4 | 176.5 | -104.5 | 4.8 | 108.6 | L99 Y103 D140 | L99-R101 PolarHBondContact O-N 3.47Å; L99-R101 VanDerWaalsContact O-N 3.1Å; R101-Y103 HydrophobicContact CB-CD2 4.19Å; R101-Y103 HydrophobicContact CB-CE2 3.67Å; R101-Y103 WeakPolarHBondContact O-CD2 3.34Å; R101-Y103 PolarHBondContact O-N 3.03Å; R101-D140 HydrophobicContact CB-CB 4.34Å; R101-D140 WeakPolarHBondContact CD-OD2 3.47Å; R101-D140 VanDerWaalsContact CG-OD2 3.29Å; R101-D140 WeakPolarHBondContact CG-OD2 3.5Å; R101-D140 IonicContact NE-OD2 3.27Å |
| 102 | K | 97.8 | Very high | 98.1 | Very high | 82 Ų | 82 | 31.8 Ų | 31.8 | 36% | 0.357 | 17% | 0.174 | S | C | . | . | trans | -78.8 | 110 | 168.6 | -172.5 | -171.8 | 173.1 | -165 | 0 | 109.9 | Y95 S141 D142 | Y95-K102 HydrophobicContact CD2-CD 4.47Å; Y95-K102 HydrophobicContact CD2-CG 3.95Å; Y95-K102 HydrophobicContact CG-CG 4.32Å; K102-S141 PolarHBondContact O-N 3.09Å; K102-S141 VanDerWaalsContact O-N 3.08Å; K102-S141 PolarHBondContact O-OG 3.29Å; K102-D142 WeakPolarHBondContact CB-OD1 3.49Å; K102-D142 VanDerWaalsContact CB-OD2 3.29Å; K102-D142 WeakPolarHBondContact CB-OD2 3.38Å; K102-D142 PolarHBondContact N-OD2 2.94Å | ||
| 103 | Y | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 110.8 | 176.5 | -69.1 | -91.1 | 0 | 0 | 0 | 110.6 | Y95 L96 L99 R101 Y139 D140 Q155 A158 | Y95-Y103 CarbonylContact C-O 3.37Å; Y95-Y103 VanDerWaalsContact CA-O 3.23Å; Y95-Y103 WeakPolarHBondContact CA-O 3.42Å; Y95-Y103 WeakPolarHBondContact CB-O 3.32Å; L96-Y103 PolarHBondContact N-O 3.05Å; L99-Y103 HydrophobicContact CB-CD2 3.66Å; L99-Y103 HydrophobicContact CB-CE2 3.8Å; L99-Y103 HydrophobicContact CD1-CD2 3.41Å; L99-Y103 VanDerWaalsContact CD1-CD2 3.41Å; L99-Y103 HydrophobicContact CD1-CE2 4Å; L99-Y103 HydrophobicContact CD1-CG 4.01Å; L99-Y103 HydrophobicContact CG-CD2 4.18Å; R101-Y103 HydrophobicContact CB-CD2 4.19Å; R101-Y103 HydrophobicContact CB-CE2 3.67Å; R101-Y103 WeakPolarHBondContact O-CD2 3.34Å; R101-Y103 PolarHBondContact O-N 3.03Å; Y103-Y139 CarbonylContact C-O 3.36Å; Y103-Y139 VanDerWaalsContact CA-O 3.24Å; Y103-Y139 WeakPolarHBondContact CA-O 3.34Å; Y103-D140 HydrophobicContact CD1-CB 4.14Å; Y103-D140 HydrophobicContact CE1-CB 3.79Å; Y103-Q155 VanDerWaalsContact CE1-O 3.31Å; Y103-Q155 WeakPolarHBondContact CE1-O 3.47Å; Y103-Q155 PolarHBondContact OH-O 2.83Å; Y103-A158 HydrophobicContact CD1-CB 3.43Å; Y103-A158 VanDerWaalsContact CD1-CB 3.43Å; Y103-A158 HydrophobicContact CD2-CB 4.03Å; Y103-A158 HydrophobicContact CE1-CB 3.79Å; Y103-A158 HydrophobicContact CE2-CB 4.32Å; Y103-A158 HydrophobicContact CG-CB 3.56Å |
| 104 | V | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 143.6 | 176.2 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | S92 L94 H138 Y139 S141 | S92-V104 WeakPolarHBondContact O-CG1 3.45Å; L94-V104 CarbonylContact O-C 3.5Å; L94-V104 WeakPolarHBondContact O-CA 3.33Å; V104-H138 CarbonylContact O-C 3.58Å; V104-H138 WeakPolarHBondContact O-CA 3.45Å; V104-H138 VanDerWaalsContact O-CB 3.24Å; V104-H138 WeakPolarHBondContact O-CB 3.42Å; V104-Y139 HydrophobicContact CG2-CD1 3.85Å; V104-Y139 HydrophobicContact CG2-CD2 4.39Å; V104-Y139 HydrophobicContact CG2-CE1 3.4Å; V104-Y139 VanDerWaalsContact CG2-CE1 3.4Å; V104-Y139 HydrophobicContact CG2-CE2 4Å; V104-Y139 HydrophobicContact CG2-CG 4.32Å; V104-Y139 VanDerWaalsContact CG2-CZ 3.47Å; V104-Y139 PolarHBondContact N-O 3.31Å; V104-Y139 PolarHBondContact O-N 3.44Å; V104-S141 WeakPolarHBondContact CG1-OG 3.47Å |
| 105 | A | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 152.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L90 L94 H138 | L90-A105 HydrophobicContact CB-CB 4.12Å; L90-A105 HydrophobicContact CD1-CB 4.1Å; L94-A105 HydrophobicContact CB-CB 3.65Å; L94-A105 HydrophobicContact CD1-CB 4.29Å; L94-A105 PolarHBondContact O-N 3.47Å; A105-H138 VanDerWaalsContact CA-CD2 3.41Å; A105-H138 WeakPolarHBondContact CA-CD2 3.35Å; A105-H138 PolarHBondContact N-CD2 3.42Å |
| 106 | A | 98.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L90 V137 Y139 L147 | L90-A106 PolarHBondContact N-O 2.91Å; A106-V137 PolarHBondContact N-O 2.92Å; A106-Y139 HydrophobicContact CB-CD1 4.25Å; A106-Y139 HydrophobicContact CB-CE1 4.46Å; A106-L147 HydrophobicContact CB-CB 4.47Å; A106-L147 HydrophobicContact CB-CD1 4.18Å; A106-L147 HydrophobicContact CB-CD2 3.85Å; A106-L147 HydrophobicContact CB-CG 4.4Å |
| 107 | Q | 98.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 168.1 | 176.9 | 55.4 | 90 | -58.8 | 0 | 0 | 111.8 | Q87 L88 H109 V137 | Q87-Q107 HydrophobicContact CG-CB 3.78Å; Q87-Q107 HydrophobicContact CG-CG 4.1Å; L88-Q107 CarbonylContact O-C 3.54Å; L88-Q107 WeakPolarHBondContact O-CA 3.39Å; L88-Q107 WeakPolarHBondContact O-CB 3.49Å; Q107-H109 PolarHBondContact NE2-ND1 3.38Å; Q107-H109 PolarHBondContact OE1-ND1 3Å; Q107-V137 HydrophobicContact CG-CB 4.17Å; Q107-V137 PolarHBondContact N-O 3.27Å; Q107-V137 PolarHBondContact O-N 3.39Å |
| 108 | L | 98.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 156.4 | 156.5 | 62.2 | 76.8 | 0 | 0 | 0 | 111 | Q87 L88 L90 L134 H135 I136 I177 L198 L201 | Q87-L108 CarbonylContact C-O 3.49Å; Q87-L108 VanDerWaalsContact CA-O 3.31Å; Q87-L108 WeakPolarHBondContact CA-O 3.46Å; Q87-L108 WeakPolarHBondContact CG-O 3.37Å; L88-L108 HydrophobicContact CB-CD1 3.62Å; L88-L108 HydrophobicContact CB-CG 3.99Å; L88-L108 HydrophobicContact CD2-CD1 4.21Å; L88-L108 HydrophobicContact CD2-CD2 4.35Å; L88-L108 HydrophobicContact CD2-CG 4.29Å; L88-L108 PolarHBondContact N-O 3.46Å; L88-L108 PolarHBondContact O-N 2.71Å; L90-L108 HydrophobicContact CD1-CB 4.22Å; L90-L108 HydrophobicContact CD1-CD2 4.22Å; L90-L108 HydrophobicContact CD1-CG 4.26Å; L90-L108 HydrophobicContact CD2-CD2 4.43Å; L108-L134 HydrophobicContact CB-CD1 4Å; L108-L134 HydrophobicContact CD1-CD1 4.02Å; L108-L134 HydrophobicContact CD2-CD1 4.43Å; L108-L134 HydrophobicContact CG-CD1 4.38Å; L108-H135 CarbonylContact C-O 3.44Å; L108-H135 WeakPolarHBondContact CA-O 3.49Å; L108-H135 WeakPolarHBondContact CB-O 3.42Å; L108-I136 HydrophobicContact CB-CB 4.29Å; L108-I136 HydrophobicContact CB-CG1 3.97Å; L108-I136 HydrophobicContact CB-CG2 4.2Å; L108-I177 HydrophobicContact CD1-CD1 3.8Å; L108-L198 HydrophobicContact CD2-CD2 4.22Å; L108-L201 HydrophobicContact CD2-CD1 3.72Å |
| 109 | H | 98.9 | Very high | 97.1 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 168.7 | 178.1 | 61.4 | -71.8 | 0 | 0 | 0 | 112.4 | T85 V86 Q87 Q107 H111 L134 H135 | T85-H109 HydrophobicContact CG2-CB 3.85Å; V86-H109 WeakPolarHBondContact O-CA 3.12Å; V86-H109 WeakPolarHBondContact O-CB 3.41Å; Q87-H109 HydrophobicContact CB-CB 4.27Å; Q87-H109 HydrophobicContact CG-CB 4.31Å; Q107-H109 PolarHBondContact NE2-ND1 3.38Å; Q107-H109 PolarHBondContact OE1-ND1 3Å; H109-H111 AromaticContact CD2-NE2 3.38Å; H109-H111 PolarHBondContact CD2-NE2 3.5Å; H109-H111 AromaticContact NE2-NE2 3.38Å; H109-H111 PolarHBondContact NE2-NE2 3.38Å; H109-L134 WeakPolarHBondContact O-CD1 3.29Å; H109-H135 VanDerWaalsContact CE1-CB 3.47Å; H109-H135 WeakPolarHBondContact CE1-CB 3.2Å; H109-H135 PolarHBondContact N-O 3.44Å; H109-H135 AromaticContact NE2-ND1 3.78Å; H109-H135 PolarHBondContact O-N 3.07Å |
| 110 | L | 98.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.3 | -172.6 | -72.5 | 163.3 | 0 | 0 | 0 | 112.6 | T85 V86 W112 E133 L134 I164 Y174 L244 N262 | T85-L110 PolarHBondContact OG1-N 3.08Å; T85-L110 PolarHBondContact OG1-O 3.08Å; V86-L110 HydrophobicContact CG1-CB 4.38Å; V86-L110 HydrophobicContact CG1-CD1 4.08Å; L110-W112 HydrophobicContact CB-CE3 3.8Å; L110-W112 HydrophobicContact CB-CZ3 3.75Å; L110-W112 WeakPolarHBondContact O-CZ3 3.17Å; L110-E133 WeakPolarHBondContact CA-O 3.31Å; L110-L134 HydrophobicContact CD2-CB 3.8Å; L110-L134 HydrophobicContact CD2-CD1 4.19Å; L110-I164 HydrophobicContact CD2-CD1 3.77Å; L110-Y174 HydrophobicContact CD2-CE1 4.28Å; L110-L244 HydrophobicContact CD1-CD1 4.05Å; L110-L244 HydrophobicContact CD1-CD2 4.41Å; L110-N262 PolarHBondContact O-ND2 3.01Å |
| 111 | H | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.8 | 168.1 | -62.6 | -93 | 0 | 0 | 0 | 108.8 | H109 G120 E122 A132 E133 H135 N262 | H109-H111 AromaticContact CD2-NE2 3.38Å; H109-H111 PolarHBondContact CD2-NE2 3.5Å; H109-H111 AromaticContact NE2-NE2 3.38Å; H109-H111 PolarHBondContact NE2-NE2 3.38Å; H111-G120 CarbonylContact C-O 3.09Å; H111-E122 HydrophobicContact CB-CG 4.11Å; H111-E122 IonicContact CD2-OE2 3.86Å; H111-E122 IonicContact CE1-OE1 2.68Å; H111-E122 IonicContact CE1-OE2 3.57Å; H111-E122 IonicContact ND1-OE1 3.95Å; H111-E122 IonicContact ND1-OE2 3.5Å; H111-E122 IonicContact NE2-OE2 3.9Å; H111-A132 CarbonylContact O-C 3.52Å; H111-A132 WeakPolarHBondContact O-CA 3.47Å; H111-A132 WeakPolarHBondContact O-CB 3.41Å; H111-E133 PolarHBondContact N-O 3.36Å; H111-E133 PolarHBondContact O-N 3.39Å; H111-H135 AromaticContact CD2-CE1 3.8Å; H111-H135 AromaticContact CD2-ND1 3.6Å; H111-H135 AromaticContact NE2-CE1 3.64Å; H111-H135 AromaticContact NE2-ND1 3.36Å; H111-H135 PolarHBondContact NE2-ND1 3.49Å; H111-N262 PolarHBondContact ND1-O 2.99Å |
| 112 | W | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 159.5 | -178.1 | 62.1 | 89.2 | 0 | 0 | 0 | 113.8 | V86 L110 G120 A132 L244 L248 L259 Q261 N262 Y263 | V86-W112 HydrophobicContact CG1-CH2 4.07Å; V86-W112 HydrophobicContact CG1-CZ3 4Å; L110-W112 HydrophobicContact CB-CE3 3.8Å; L110-W112 HydrophobicContact CB-CZ3 3.75Å; L110-W112 WeakPolarHBondContact O-CZ3 3.17Å; W112-G120 WeakPolarHBondContact CA-O 3.5Å; W112-G120 PolarHBondContact N-O 3.39Å; W112-A132 HydrophobicContact CB-CB 4.13Å; W112-L244 HydrophobicContact CB-CD2 3.96Å; W112-L244 HydrophobicContact CB-CG 4.19Å; W112-L244 HydrophobicContact CD2-CD1 3.88Å; W112-L244 HydrophobicContact CD2-CD2 4.25Å; W112-L244 HydrophobicContact CD2-CG 3.77Å; W112-L244 HydrophobicContact CE3-CD1 3.69Å; W112-L244 HydrophobicContact CE3-CD2 4.2Å; W112-L244 HydrophobicContact CE3-CG 3.98Å; W112-L244 HydrophobicContact CG-CD2 4.19Å; W112-L244 HydrophobicContact CG-CG 3.89Å; W112-L244 HydrophobicContact CH2-CD1 4.18Å; W112-L244 HydrophobicContact CZ2-CD1 4.34Å; W112-L244 HydrophobicContact CZ3-CD1 3.87Å; W112-L244 PolarHBondContact NE1-O 2.86Å; W112-L248 HydrophobicContact CH2-CD1 3.64Å; W112-L248 HydrophobicContact CZ2-CD1 3.82Å; W112-L259 HydrophobicContact CH2-CD2 3.96Å; W112-L259 HydrophobicContact CZ2-CB 4.46Å; W112-L259 HydrophobicContact CZ2-CD2 3.57Å; W112-L259 HydrophobicContact CZ2-CG 4.45Å; W112-L259 PolarHBondContact NE1-O 3.39Å; W112-Q261 WeakPolarHBondContact O-CA 3.39Å; W112-Q261 PolarHBondContact O-N 3.27Å; W112-N262 VanDerWaalsContact CD2-OD1 3.31Å; W112-N262 WeakPolarHBondContact CZ3-ND2 3.34Å; W112-N262 PolarHBondContact N-OD1 3.27Å; W112-N262 PolarHBondContact O-N 3.42Å; W112-N262 PolarHBondContact O-OD1 3.32Å; W112-N262 VanDerWaalsContact O-OD1 3.05Å; W112-Y263 WeakPolarHBondContact O-CD1 3.16Å |
| 113 | G | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | trans | -76.2 | -140.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q261 | G113-Q261 PolarHBondContact O-N 2.81Å; G113-Q261 VanDerWaalsContact O-N 3.09Å | ||
| 114 | Q | 97.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 27.5 Ų | 27.5 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | trans | -136.7 | 156.7 | 169 | 70 | 179.6 | 1.2 | 0 | 0 | 109.7 | G116 S117 V260 Q261 | Q114-G116 PolarHBondContact O-N 2.82Å; Q114-S117 WeakPolarHBondContact CG-OG 3.42Å; Q114-S117 PolarHBondContact NE2-OG 3.49Å; Q114-S117 PolarHBondContact O-N 3.28Å; Q114-V260 HydrophobicContact CB-CB 3.82Å; Q114-V260 HydrophobicContact CB-CG1 4.12Å; Q114-V260 HydrophobicContact CB-CG2 4.18Å; Q114-Q261 HydrophobicContact CB-CG 4.23Å; Q114-Q261 HydrophobicContact CG-CG 4.28Å | ||
| 115 | K | 95.8 | Very high | 97.4 | Very high | 130 Ų | 130 | 27.8 Ų | 27.8 | 57% | 0.565 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 126.8 | -180 | -174.4 | 166.5 | -178.7 | 165.4 | 0 | 111.3 | S117 E242 Q245 | K115-S117 VanDerWaalsContact C-N 3.34Å; K115-E242 HydrophobicContact CD-CG 4.46Å; K115-E242 VanDerWaalsContact CE-CD 3.46Å; K115-E242 WeakPolarHBondContact CE-OE1 3.35Å; K115-E242 IonicContact NZ-OE1 3.67Å; K115-E242 PolarHBondContact NZ-OE1 3.44Å; K115-E242 IonicContact NZ-OE2 1.91Å; K115-E242 PolarHBondContact NZ-OE2 3.48Å; K115-Q245 VanDerWaalsContact CA-OE1 3.24Å |
| 116 | G | 91.6 | Very high | 97.4 | Very high | 83 Ų | 83 | 31.5 Ų | 31.5 | 86% | 0.856 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 6.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q114 | Q114-G116 PolarHBondContact O-N 2.82Š|
| 117 | S | 91.8 | Very high | 97.4 | Very high | 46 Ų | 46 | 34 Ų | 34 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -107.6 | 148.7 | 170.8 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | Q114 K115 | Q114-S117 WeakPolarHBondContact CG-OG 3.42Å; Q114-S117 PolarHBondContact NE2-OG 3.49Å; Q114-S117 PolarHBondContact O-N 3.28Å; K115-S117 VanDerWaalsContact C-N 3.34Å |
| 118 | P | 91.6 | Very high | 97.4 | Very high | 119 Ų | 119 | 38.5 Ų | 38.5 | 77% | 0.773 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -73.7 | 155.5 | 172.4 | 32.7 | -35.3 | 0 | 0 | 0 | 111.3 | ||
| 119 | G | 95.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | trans | 76.9 | -171.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T130 | G119-T130 CarbonylContact C-O 3.52Å; G119-T130 VanDerWaalsContact CA-O 3.32Å; G119-T130 WeakPolarHBondContact CA-O 3.5Å | ||
| 120 | G | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | trans | 140.2 | -16.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H111 W112 T130 V131 | H111-G120 CarbonylContact C-O 3.09Å; W112-G120 WeakPolarHBondContact CA-O 3.5Å; W112-G120 PolarHBondContact N-O 3.39Å; G120-T130 PolarHBondContact N-O 2.97Å; G120-V131 WeakPolarHBondContact CA-O 3.35Å | ||
| 121 | S | 98.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -73.2 | 156.3 | 162.3 | 67 | 0 | 0 | 0 | 0 | 111.7 | H123 A129 T130 | S121-H123 WeakPolarHBondContact CB-O 3.44Å; S121-H123 PolarHBondContact OG-O 3.1Å; S121-A129 WeakPolarHBondContact OG-CA 3.48Å; S121-T130 WeakPolarHBondContact CB-OG1 3.25Å; S121-T130 PolarHBondContact N-O 2.82Å; S121-T130 PolarHBondContact OG-N 2.92Å | ||
| 122 | E | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -87.4 | -49.8 | 174.1 | -81.3 | -158.1 | 137.9 | 0 | 0 | 110.4 | P47 H111 E133 H135 T217 R264 | P47-E122 HydrophobicContact CB-CB 3.8Å; P47-E122 VanDerWaalsContact CB-O 3.25Å; P47-E122 WeakPolarHBondContact CB-O 3.35Å; P47-E122 HydrophobicContact CG-CB 3.74Å; P47-E122 HydrophobicContact CG-CG 4.46Å; P47-E122 WeakPolarHBondContact CG-O 3.31Å; H111-E122 HydrophobicContact CB-CG 4.11Å; H111-E122 IonicContact CD2-OE2 3.86Å; H111-E122 IonicContact CE1-OE1 2.68Å; H111-E122 IonicContact CE1-OE2 3.57Å; H111-E122 IonicContact ND1-OE1 3.95Å; H111-E122 IonicContact ND1-OE2 3.5Å; H111-E122 IonicContact NE2-OE2 3.9Å; E122-E133 WeakPolarHBondContact CA-OE2 3.47Å; E122-E133 PolarHBondContact N-OE2 2.87Å; E122-H135 IonicContact OE2-CE1 3.99Å; E122-H135 PolarHBondContact OE2-CE1 2.93Å; E122-T217 WeakPolarHBondContact OE2-CB 3.37Å; E122-T217 WeakPolarHBondContact OE2-CG2 3.44Å; E122-T217 PolarHBondContact OE2-OG1 2.73Å; E122-R264 VanDerWaalsContact OE1-CB 3.31Å; E122-R264 WeakPolarHBondContact OE1-CB 3.33Å; E122-R264 PolarHBondContact OE1-N 3.03Å |
| 123 | H | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -75.1 | 154.9 | 171.3 | -68.7 | 92.8 | 0 | 0 | 0 | 111.9 | S121 E133 H135 L163 Y212 W227 V229 | S121-H123 WeakPolarHBondContact CB-O 3.44Å; S121-H123 PolarHBondContact OG-O 3.1Å; H123-E133 IonicContact CE1-OE1 2.2Å; H123-E133 IonicContact CG-OE1 3.77Å; H123-E133 PolarHBondContact N-OE2 2.91Å; H123-E133 IonicContact ND1-OE1 3.61Å; H123-E133 PolarHBondContact ND1-OE1 3.05Å; H123-E133 IonicContact ND1-OE2 2.69Å; H123-H135 AromaticContact CE1-NE2 3.85Å; H123-H135 AromaticContact ND1-NE2 3.39Å; H123-H135 PolarHBondContact ND1-NE2 3.01Å; H123-L163 HydrophobicContact CB-CD1 4.42Å; H123-Y212 AromaticContact NE2-CE1 3.66Å; H123-Y212 AromaticContact NE2-CZ 3.6Å; H123-Y212 PolarHBondContact NE2-OH 3.32Å; H123-W227 AromaticContact CE1-CD2 3.92Å; H123-W227 AromaticContact CE1-CE3 3.55Å; H123-W227 AromaticContact CE1-CH2 3.91Å; H123-W227 AromaticContact CE1-CZ3 3.54Å; H123-V229 HydrophobicContact CB-CG1 4.4Å |
| 124 | Q | 98.9 | Very high | 97.4 | Very high | 44 Ų | 44 | 41 Ų | 41 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.5 | 170.3 | -60.1 | -175.9 | -2.2 | 0 | 0 | 109.5 | I48 D49 I50 S127 E128 A129 P266 | I48-Q124 PolarHBondContact O-N 3.23Å; D49-Q124 HydrophobicContact CB-CB 4.21Å; I50-Q124 PolarHBondContact N-O 3.2Å; Q124-S127 PolarHBondContact OE1-O 3.25Å; Q124-E128 VanDerWaalsContact CA-O 3.29Å; Q124-E128 WeakPolarHBondContact CA-O 3.46Å; Q124-E128 WeakPolarHBondContact CB-O 3.39Å; Q124-A129 HydrophobicContact CG-CB 3.99Å; Q124-P266 HydrophobicContact CG-CG 4.02Å |
| 125 | I | 98.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.7 | 170.1 | -60.8 | 171.4 | 0 | 0 | 0 | 106.3 | I50 T52 S127 E128 L163 F210 Y231 | I50-I125 WeakPolarHBondContact O-CA 3.47Å; T52-I125 HydrophobicContact CG2-CG2 3.65Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.26Å; I125-E128 PolarHBondContact N-O 3.46Å; I125-E128 VanDerWaalsContact N-O 3.12Å; I125-E128 WeakPolarHBondContact O-CB 3.48Å; I125-E128 PolarHBondContact O-N 3.41Å; I125-L163 HydrophobicContact CD1-CD1 4.34Å; I125-L163 HydrophobicContact CD1-CD2 4.22Å; I125-L163 HydrophobicContact CG1-CD2 4.3Å; I125-F210 HydrophobicContact CD1-CE2 4.12Å; I125-F210 HydrophobicContact CG1-CE2 4.39Å; I125-Y231 HydrophobicContact CD1-CD2 4.48Å |
| 126 | N | 98.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 31.9 Ų | 31.9 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.6 | -173.6 | -60.5 | -33.9 | 0 | 0 | 0 | 113.7 | D49 I50 T52 E128 | D49-N126 PolarHBondContact OD1-N 2.94Å; I50-N126 PolarHBondContact O-N 2.8Å; T52-N126 WeakPolarHBondContact CG2-ND2 3.3Å; T52-N126 PolarHBondContact N-OD1 2.79Å; T52-N126 PolarHBondContact OG1-ND2 3.37Å; T52-N126 PolarHBondContact OG1-OD1 2.91Å; N126-E128 PolarHBondContact O-N 3.29Å |
| 127 | S | 98.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 28.4 Ų | 28.4 | 52% | 0.524 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 15.6 | -176 | -44.1 | 0 | 0 | 0 | 0 | 115 | D49 Q124 I125 | D49-S127 VanDerWaalsContact CG-N 3.35Å; D49-S127 WeakPolarHBondContact OD1-CA 3.19Å; D49-S127 PolarHBondContact OD1-N 3.26Å; D49-S127 PolarHBondContact OD2-N 2.89Å; D49-S127 PolarHBondContact OD2-OG 2.91Å; Q124-S127 PolarHBondContact OE1-O 3.25Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.26Å |
| 128 | E | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 26.2 Ų | 26.2 | 52% | 0.523 | 16% | 0.159 | S | C | . | . | B | Isolated β-bridge | trans | -95.7 | 119.4 | 169.5 | -62.4 | -173.3 | 175.6 | 0 | 0 | 111.2 | Q124 I125 N126 R233 | Q124-E128 VanDerWaalsContact CA-O 3.29Å; Q124-E128 WeakPolarHBondContact CA-O 3.46Å; Q124-E128 WeakPolarHBondContact CB-O 3.39Å; I125-E128 PolarHBondContact N-O 3.46Å; I125-E128 VanDerWaalsContact N-O 3.12Å; I125-E128 WeakPolarHBondContact O-CB 3.48Å; I125-E128 PolarHBondContact O-N 3.41Å; N126-E128 PolarHBondContact O-N 3.29Å; E128-R233 IonicContact OE2-NH2 3.48Å; E128-R233 PolarHBondContact OE2-NH2 3.46Å |
| 129 | A | 98.7 | Very high | 98.6 | Very high | 38 Ų | 38 | 22.1 Ų | 22.1 | 31% | 0.314 | 13% | 0.128 | S | C | . | . | trans | -87.8 | 152.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S121 Q124 | S121-A129 WeakPolarHBondContact OG-CA 3.48Å; Q124-A129 HydrophobicContact CG-CB 3.99Å | ||
| 130 | T | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | trans | -105.5 | -180 | 171.6 | 64 | 0 | 0 | 0 | 0 | 111.1 | G119 G120 S121 A132 L163 I164 R233 | G119-T130 CarbonylContact C-O 3.52Å; G119-T130 VanDerWaalsContact CA-O 3.32Å; G119-T130 WeakPolarHBondContact CA-O 3.5Å; G120-T130 PolarHBondContact N-O 2.97Å; S121-T130 WeakPolarHBondContact CB-OG1 3.25Å; S121-T130 PolarHBondContact N-O 2.82Å; S121-T130 PolarHBondContact OG-N 2.92Å; T130-A132 PolarHBondContact O-N 2.95Å; T130-A132 PolarHBondContact OG1-O 2.87Å; T130-A132 VanDerWaalsContact OG1-O 3.08Å; T130-L163 HydrophobicContact CG2-CB 4.11Å; T130-L163 HydrophobicContact CG2-CD2 4.02Å; T130-L163 WeakPolarHBondContact OG1-CB 3.4Å; T130-I164 WeakPolarHBondContact CB-O 3.23Å; T130-I164 PolarHBondContact OG1-N 3.17Å; T130-I164 PolarHBondContact OG1-O 2.97Å; T130-I164 VanDerWaalsContact OG1-O 3.12Å; T130-R233 HydrophobicContact CG2-CG 4.31Å | ||
| 131 | V | 98.7 | Very high | 98.8 | Very high | 33 Ų | 33 | 23.5 Ų | 23.5 | 20% | 0.2 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -77.4 | -21.2 | -169.5 | -62.1 | 0 | 0 | 0 | 0 | 114.3 | G120 I164 V166 L241 | G120-V131 WeakPolarHBondContact CA-O 3.35Å; V131-I164 VanDerWaalsContact CG2-O 3.23Å; V131-I164 WeakPolarHBondContact CG2-O 3.13Å; V131-I164 PolarHBondContact N-O 3.17Å; V131-V166 HydrophobicContact CG1-CG2 4.09Å; V131-V166 HydrophobicContact CG2-CG2 3.98Å; V131-L241 HydrophobicContact CB-CD1 3.84Å; V131-L241 HydrophobicContact CB-CD2 3.75Å; V131-L241 HydrophobicContact CB-CG 4.46Å; V131-L241 HydrophobicContact CG1-CD2 3.94Å; V131-L241 HydrophobicContact CG2-CD1 3.74Å; V131-L241 HydrophobicContact CG2-CD2 3.9Å; V131-L241 HydrophobicContact CG2-CG 4.39Å |
| 132 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 170.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | H111 W112 T130 I164 L244 | H111-A132 CarbonylContact O-C 3.52Å; H111-A132 WeakPolarHBondContact O-CA 3.47Å; H111-A132 WeakPolarHBondContact O-CB 3.41Å; W112-A132 HydrophobicContact CB-CB 4.13Å; T130-A132 PolarHBondContact O-N 2.95Å; T130-A132 PolarHBondContact OG1-O 2.87Å; T130-A132 VanDerWaalsContact OG1-O 3.08Å; A132-I164 HydrophobicContact CB-CB 4.1Å; A132-I164 HydrophobicContact CB-CD1 4.02Å; A132-I164 PolarHBondContact N-O 3.25Å; A132-I164 WeakPolarHBondContact O-CB 3.16Å; A132-I164 PolarHBondContact O-N 3.03Å; A132-L244 HydrophobicContact CB-CD2 4.19Å |
| 133 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.4 | 170.7 | -170.3 | 172.9 | 158.1 | 0 | 0 | 110.7 | L110 H111 E122 H123 H135 I162 | L110-E133 WeakPolarHBondContact CA-O 3.31Å; H111-E133 PolarHBondContact N-O 3.36Å; H111-E133 PolarHBondContact O-N 3.39Å; E122-E133 WeakPolarHBondContact CA-OE2 3.47Å; E122-E133 PolarHBondContact N-OE2 2.87Å; H123-E133 IonicContact CE1-OE1 2.2Å; H123-E133 IonicContact CG-OE1 3.77Å; H123-E133 PolarHBondContact N-OE2 2.91Å; H123-E133 IonicContact ND1-OE1 3.61Å; H123-E133 PolarHBondContact ND1-OE1 3.05Å; H123-E133 IonicContact ND1-OE2 2.69Å; E133-H135 WeakPolarHBondContact CG-NE2 3.47Å; E133-H135 IonicContact OE1-CD2 3.5Å; E133-H135 PolarHBondContact OE1-CD2 3.12Å; E133-H135 IonicContact OE1-NE2 3.32Å; E133-H135 PolarHBondContact OE1-NE2 2.89Å; E133-H135 IonicContact OE2-NE2 3.7Å; E133-H135 PolarHBondContact OE2-NE2 3.1Å; E133-I162 WeakPolarHBondContact CA-O 3.12Å; E133-I162 WeakPolarHBondContact CG-O 3.37Å |
| 134 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130 | 173.1 | 163.1 | 70.2 | 0 | 0 | 0 | 109.4 | L108 H109 L110 I136 I162 I164 Y174 L201 | L108-L134 HydrophobicContact CB-CD1 4Å; L108-L134 HydrophobicContact CD1-CD1 4.02Å; L108-L134 HydrophobicContact CD2-CD1 4.43Å; L108-L134 HydrophobicContact CG-CD1 4.38Å; H109-L134 WeakPolarHBondContact O-CD1 3.29Å; L110-L134 HydrophobicContact CD2-CB 3.8Å; L110-L134 HydrophobicContact CD2-CD1 4.19Å; L134-I136 HydrophobicContact CD1-CG1 4.31Å; L134-I136 HydrophobicContact CD2-CD1 4.36Å; L134-I136 HydrophobicContact CD2-CG1 4.34Å; L134-I136 HydrophobicContact CG-CG1 4.15Å; L134-I162 HydrophobicContact CB-CB 4.18Å; L134-I162 HydrophobicContact CD2-CB 4.48Å; L134-I162 HydrophobicContact CD2-CD1 4.3Å; L134-I162 HydrophobicContact CD2-CG1 4.4Å; L134-I162 HydrophobicContact CG-CD1 4.3Å; L134-I162 PolarHBondContact N-O 3.5Å; L134-I162 PolarHBondContact O-N 3.42Å; L134-I164 HydrophobicContact CB-CD1 4.01Å; L134-Y174 HydrophobicContact CD2-CE1 4.43Å; L134-L201 HydrophobicContact CD2-CB 3.79Å; L134-L201 HydrophobicContact CD2-CD1 4.29Å |
| 135 | H | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.9 | 171.2 | -71.6 | 173.3 | 0 | 0 | 0 | 110.5 | L108 H109 H111 E122 H123 E133 V159 L160 T217 W227 | L108-H135 CarbonylContact C-O 3.44Å; L108-H135 WeakPolarHBondContact CA-O 3.49Å; L108-H135 WeakPolarHBondContact CB-O 3.42Å; H109-H135 VanDerWaalsContact CE1-CB 3.47Å; H109-H135 WeakPolarHBondContact CE1-CB 3.2Å; H109-H135 PolarHBondContact N-O 3.44Å; H109-H135 AromaticContact NE2-ND1 3.78Å; H109-H135 PolarHBondContact O-N 3.07Å; H111-H135 AromaticContact CD2-CE1 3.8Å; H111-H135 AromaticContact CD2-ND1 3.6Å; H111-H135 AromaticContact NE2-CE1 3.64Å; H111-H135 AromaticContact NE2-ND1 3.36Å; H111-H135 PolarHBondContact NE2-ND1 3.49Å; E122-H135 IonicContact OE2-CE1 3.99Å; E122-H135 PolarHBondContact OE2-CE1 2.93Å; H123-H135 AromaticContact CE1-NE2 3.85Å; H123-H135 AromaticContact ND1-NE2 3.39Å; H123-H135 PolarHBondContact ND1-NE2 3.01Å; E133-H135 WeakPolarHBondContact CG-NE2 3.47Å; E133-H135 IonicContact OE1-CD2 3.5Å; E133-H135 PolarHBondContact OE1-CD2 3.12Å; E133-H135 IonicContact OE1-NE2 3.32Å; E133-H135 PolarHBondContact OE1-NE2 2.89Å; E133-H135 IonicContact OE2-NE2 3.7Å; E133-H135 PolarHBondContact OE2-NE2 3.1Å; H135-V159 HydrophobicContact CB-CG1 3.93Å; H135-L160 VanDerWaalsContact CA-O 3.32Å; H135-L160 WeakPolarHBondContact CA-O 3.46Å; H135-T217 PolarHBondContact CE1-OG1 3.37Å; H135-T217 VanDerWaalsContact CE1-OG1 3.28Å; H135-W227 AromaticContact CD2-CH2 3.96Å; H135-W227 AromaticContact CD2-CZ3 3.85Å; H135-W227 AromaticContact CE1-CH2 3.6Å; H135-W227 AromaticContact ND1-CH2 3.68Å; H135-W227 AromaticContact NE2-CH2 3.91Å; H135-W227 AromaticContact NE2-CZ3 3.8Å |
| 136 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 112.8 | 170.6 | -45.8 | -178.8 | 0 | 0 | 0 | 108.4 | Y69 L90 L108 L134 H138 V159 L160 I162 L202 | Y69-I136 HydrophobicContact CE1-CD1 3.91Å; L90-I136 HydrophobicContact CD1-CG2 3.86Å; L108-I136 HydrophobicContact CB-CB 4.29Å; L108-I136 HydrophobicContact CB-CG1 3.97Å; L108-I136 HydrophobicContact CB-CG2 4.2Å; L134-I136 HydrophobicContact CD1-CG1 4.31Å; L134-I136 HydrophobicContact CD2-CD1 4.36Å; L134-I136 HydrophobicContact CD2-CG1 4.34Å; L134-I136 HydrophobicContact CG-CG1 4.15Å; I136-H138 VanDerWaalsContact CG2-CE1 3.46Å; I136-H138 WeakPolarHBondContact CG2-CE1 3.28Å; I136-H138 PolarHBondContact O-CE1 2.9Å; I136-H138 PolarHBondContact O-ND1 3.38Å; I136-H138 VanDerWaalsContact O-ND1 3.09Å; I136-V159 WeakPolarHBondContact O-CA 3.38Å; I136-L160 HydrophobicContact CB-CB 4.27Å; I136-L160 PolarHBondContact N-O 3.04Å; I136-L160 PolarHBondContact O-N 2.92Å; I136-I162 HydrophobicContact CD1-CD1 4.36Å; I136-I162 HydrophobicContact CG1-CD1 4.34Å; I136-L202 HydrophobicContact CD1-CD2 3.79Å |
| 137 | V | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.5 | -169.7 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | A106 Q107 L147 V159 | A106-V137 PolarHBondContact N-O 2.92Å; Q107-V137 HydrophobicContact CG-CB 4.17Å; Q107-V137 PolarHBondContact N-O 3.27Å; Q107-V137 PolarHBondContact O-N 3.39Å; V137-L147 HydrophobicContact CG1-CD1 3.93Å; V137-V159 HydrophobicContact CB-CG2 4.43Å; V137-V159 HydrophobicContact CG1-CG2 4.29Å; V137-V159 HydrophobicContact CG2-CG1 4.32Å; V137-V159 HydrophobicContact CG2-CG2 4.05Å |
| 138 | H | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 157.4 | 178.7 | -50.5 | 72 | 0 | 0 | 0 | 110.6 | Y69 L96 V104 A105 I136 L157 A158 | Y69-H138 AromaticContact CZ-NE2 3.79Å; Y69-H138 PolarHBondContact OH-CE1 3.17Å; Y69-H138 PolarHBondContact OH-NE2 3.4Å; L96-H138 WeakPolarHBondContact CG-NE2 3.36Å; V104-H138 CarbonylContact O-C 3.58Å; V104-H138 WeakPolarHBondContact O-CA 3.45Å; V104-H138 VanDerWaalsContact O-CB 3.24Å; V104-H138 WeakPolarHBondContact O-CB 3.42Å; A105-H138 VanDerWaalsContact CA-CD2 3.41Å; A105-H138 WeakPolarHBondContact CA-CD2 3.35Å; A105-H138 PolarHBondContact N-CD2 3.42Å; I136-H138 VanDerWaalsContact CG2-CE1 3.46Å; I136-H138 WeakPolarHBondContact CG2-CE1 3.28Å; I136-H138 PolarHBondContact O-CE1 2.9Å; I136-H138 PolarHBondContact O-ND1 3.38Å; I136-H138 VanDerWaalsContact O-ND1 3.09Å; H138-L157 VanDerWaalsContact O-CA 3.31Å; H138-L157 WeakPolarHBondContact O-CA 3.5Å; H138-A158 WeakPolarHBondContact CA-O 3.48Å; H138-A158 HydrophobicContact CB-CB 4.49Å; H138-A158 WeakPolarHBondContact CB-O 3.39Å; H138-A158 PolarHBondContact N-O 3.05Å; H138-A158 PolarHBondContact ND1-O 3.27Å; H138-A158 PolarHBondContact O-N 3.34Å |
| 139 | Y | 98.9 | Very high | 98.2 | Very high | 33 Ų | 33 | 35.8 Ų | 35.8 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.2 | 173.2 | 73.2 | -85.8 | 0 | 0 | 0 | 112.5 | Y103 V104 A106 S141 L147 A150 G156 | Y103-Y139 CarbonylContact C-O 3.36Å; Y103-Y139 VanDerWaalsContact CA-O 3.24Å; Y103-Y139 WeakPolarHBondContact CA-O 3.34Å; V104-Y139 HydrophobicContact CG2-CD1 3.85Å; V104-Y139 HydrophobicContact CG2-CD2 4.39Å; V104-Y139 HydrophobicContact CG2-CE1 3.4Å; V104-Y139 VanDerWaalsContact CG2-CE1 3.4Å; V104-Y139 HydrophobicContact CG2-CE2 4Å; V104-Y139 HydrophobicContact CG2-CG 4.32Å; V104-Y139 VanDerWaalsContact CG2-CZ 3.47Å; V104-Y139 PolarHBondContact N-O 3.31Å; V104-Y139 PolarHBondContact O-N 3.44Å; A106-Y139 HydrophobicContact CB-CD1 4.25Å; A106-Y139 HydrophobicContact CB-CE1 4.46Å; Y139-S141 PolarHBondContact O-N 2.84Å; Y139-S141 VanDerWaalsContact O-N 3.09Å; Y139-L147 HydrophobicContact CD1-CB 4Å; Y139-L147 HydrophobicContact CD1-CD1 4.17Å; Y139-L147 HydrophobicContact CE1-CB 4.44Å; Y139-L147 HydrophobicContact CG-CB 4.42Å; Y139-L147 HydrophobicContact CG-CD1 4.44Å; Y139-A150 HydrophobicContact CD2-CB 4.26Å; Y139-A150 HydrophobicContact CG-CB 4.39Å; Y139-G156 CarbonylContact C-O 3.47Å; Y139-G156 WeakPolarHBondContact CA-O 3.36Å |
| 140 | D | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 102.8 | 176.2 | 176.6 | 4.3 | 0 | 0 | 0 | 110 | R101 Y103 D142 S143 Y144 G156 | R101-D140 HydrophobicContact CB-CB 4.34Å; R101-D140 WeakPolarHBondContact CD-OD2 3.47Å; R101-D140 VanDerWaalsContact CG-OD2 3.29Å; R101-D140 WeakPolarHBondContact CG-OD2 3.5Å; R101-D140 IonicContact NE-OD2 3.27Å; Y103-D140 HydrophobicContact CD1-CB 4.14Å; Y103-D140 HydrophobicContact CE1-CB 3.79Å; D140-D142 WeakPolarHBondContact OD1-CA 3.36Å; D140-D142 WeakPolarHBondContact OD1-CB 3.17Å; D140-D142 PolarHBondContact OD1-N 3.41Å; D140-S143 PolarHBondContact OD1-N 2.86Å; D140-S143 VanDerWaalsContact OD1-N 3.13Å; D140-S143 WeakPolarHBondContact OD2-CB 3.38Å; D140-S143 PolarHBondContact OD2-OG 3.39Å; D140-Y144 HydrophobicContact CB-CD2 4.1Å; D140-Y144 HydrophobicContact CB-CE2 4.34Å; D140-Y144 PolarHBondContact O-N 3.25Å; D140-G156 PolarHBondContact N-O 3.17Å |
| 141 | S | 98.4 | Very high | 98.1 | Very high | 40 Ų | 40 | 34.1 Ų | 34.1 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.4 | 177.3 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | K102 V104 Y139 S143 | K102-S141 PolarHBondContact O-N 3.09Å; K102-S141 VanDerWaalsContact O-N 3.08Å; K102-S141 PolarHBondContact O-OG 3.29Å; V104-S141 WeakPolarHBondContact CG1-OG 3.47Å; Y139-S141 PolarHBondContact O-N 2.84Å; Y139-S141 VanDerWaalsContact O-N 3.09Å; S141-S143 VanDerWaalsContact C-N 3.34Å |
| 142 | D | 97.9 | Very high | 98 | Very high | 104 Ų | 104 | 37.7 Ų | 37.7 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -26.5 | 174.9 | -60.8 | -32.1 | 0 | 0 | 0 | 110.5 | K102 D140 | K102-D142 WeakPolarHBondContact CB-OD1 3.49Å; K102-D142 VanDerWaalsContact CB-OD2 3.29Å; K102-D142 WeakPolarHBondContact CB-OD2 3.38Å; K102-D142 PolarHBondContact N-OD2 2.94Å; D140-D142 WeakPolarHBondContact OD1-CA 3.36Å; D140-D142 WeakPolarHBondContact OD1-CB 3.17Å; D140-D142 PolarHBondContact OD1-N 3.41Å |
| 143 | S | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -23.9 | -176.9 | -51.2 | 0 | 0 | 0 | 0 | 115.5 | D140 S141 | D140-S143 PolarHBondContact OD1-N 2.86Å; D140-S143 VanDerWaalsContact OD1-N 3.13Å; D140-S143 WeakPolarHBondContact OD2-CB 3.38Å; D140-S143 PolarHBondContact OD2-OG 3.39Å; S141-S143 VanDerWaalsContact C-N 3.34Å |
| 144 | Y | 98.1 | Very high | 98 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | trans | -138.3 | 144.9 | -171.2 | -50.9 | -61.3 | 0 | 0 | 0 | 112.6 | D140 S146 E149 A150 R153 | D140-Y144 HydrophobicContact CB-CD2 4.1Å; D140-Y144 HydrophobicContact CB-CE2 4.34Å; D140-Y144 PolarHBondContact O-N 3.25Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-E149 HydrophobicContact CD1-CG 3.96Å; Y144-E149 HydrophobicContact CG-CG 4.41Å; Y144-A150 HydrophobicContact CD2-CB 3.54Å; Y144-A150 HydrophobicContact CE2-CB 4.41Å; Y144-A150 HydrophobicContact CG-CB 3.92Å; Y144-R153 HydrophobicContact CD1-CG 4.28Å; Y144-R153 HydrophobicContact CE1-CB 4.24Å; Y144-R153 HydrophobicContact CE1-CG 3.65Å; Y144-R153 HydrophobicContact CE2-CB 3.86Å; Y144-R153 HydrophobicContact CE2-CG 4.09Å; Y144-R153 WeakPolarHBondContact OH-CB 3.43Å | ||
| 145 | D | 96.6 | Very high | 97.9 | Very high | 155 Ų | 155 | 51.9 Ų | 51.9 | 83% | 0.829 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -80.9 | -14.6 | -178 | -73.5 | -36.7 | 0 | 0 | 0 | 113 | E149 | D145-E149 PolarHBondContact N-OE2 2.89Š|
| 146 | S | 96.9 | Very high | 97.9 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -153.9 | 154.9 | -172.7 | 67.3 | 0 | 0 | 0 | 0 | 114.8 | Y144 S148 E149 A150 | Y144-S146 VanDerWaalsContact C-N 3.34Å; S146-S148 VanDerWaalsContact C-N 3.3Å; S146-S148 PolarHBondContact O-N 3.5Å; S146-S148 PolarHBondContact OG-OG 3.31Å; S146-E149 PolarHBondContact O-N 3.48Å; S146-E149 WeakPolarHBondContact OG-CB 3.48Å; S146-E149 PolarHBondContact OG-N 2.78Å; S146-A150 WeakPolarHBondContact O-CB 3.34Å; S146-A150 PolarHBondContact O-N 2.91Å |
| 147 | L | 96.6 | Very high | 97.9 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -54.9 | -41.9 | 174.1 | -179.1 | 67.6 | 0 | 0 | 0 | 112.7 | A106 V137 Y139 A150 A151 L157 | A106-L147 HydrophobicContact CB-CB 4.47Å; A106-L147 HydrophobicContact CB-CD1 4.18Å; A106-L147 HydrophobicContact CB-CD2 3.85Å; A106-L147 HydrophobicContact CB-CG 4.4Å; V137-L147 HydrophobicContact CG1-CD1 3.93Å; Y139-L147 HydrophobicContact CD1-CB 4Å; Y139-L147 HydrophobicContact CD1-CD1 4.17Å; Y139-L147 HydrophobicContact CE1-CB 4.44Å; Y139-L147 HydrophobicContact CG-CB 4.42Å; Y139-L147 HydrophobicContact CG-CD1 4.44Å; L147-A150 PolarHBondContact O-N 3.45Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 2.76Å; L147-L157 HydrophobicContact CD1-CD2 3.57Å |
| 148 | S | 95.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74.1 | -30.8 | -175.3 | 52 | 0 | 0 | 0 | 0 | 113.3 | S146 Q152 | S146-S148 VanDerWaalsContact C-N 3.3Å; S146-S148 PolarHBondContact O-N 3.5Å; S146-S148 PolarHBondContact OG-OG 3.31Å; S148-Q152 PolarHBondContact O-NE2 2.72Å |
| 149 | E | 97.6 | Very high | 97.9 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.4 | -52.7 | 168.3 | -179 | -179.7 | -159.8 | 0 | 0 | 110.5 | Y144 D145 S146 A151 Q152 R153 | Y144-E149 HydrophobicContact CD1-CG 3.96Å; Y144-E149 HydrophobicContact CG-CG 4.41Å; D145-E149 PolarHBondContact N-OE2 2.89Å; S146-E149 PolarHBondContact O-N 3.48Å; S146-E149 WeakPolarHBondContact OG-CB 3.48Å; S146-E149 PolarHBondContact OG-N 2.78Å; E149-A151 VanDerWaalsContact C-N 3.28Å; E149-A151 PolarHBondContact O-N 2.74Å; E149-Q152 PolarHBondContact O-N 3.16Å; E149-R153 WeakPolarHBondContact O-CG 3.32Å |
| 150 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -33.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y139 Y144 S146 L147 Q152 R153 G156 L157 | Y139-A150 HydrophobicContact CD2-CB 4.26Å; Y139-A150 HydrophobicContact CG-CB 4.39Å; Y144-A150 HydrophobicContact CD2-CB 3.54Å; Y144-A150 HydrophobicContact CE2-CB 4.41Å; Y144-A150 HydrophobicContact CG-CB 3.92Å; S146-A150 WeakPolarHBondContact O-CB 3.34Å; S146-A150 PolarHBondContact O-N 2.91Å; L147-A150 PolarHBondContact O-N 3.45Å; A150-Q152 PolarHBondContact O-N 3.28Å; A150-R153 WeakPolarHBondContact O-CB 3.19Å; A150-R153 PolarHBondContact O-N 3.28Å; A150-G156 WeakPolarHBondContact CB-O 3.45Å; A150-G156 WeakPolarHBondContact O-CA 3.35Å; A150-L157 HydrophobicContact CB-CD2 4.06Å |
| 151 | A | 97.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -19.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | L147 E149 L157 Y222 S224 | L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 2.76Å; E149-A151 VanDerWaalsContact C-N 3.28Å; E149-A151 PolarHBondContact O-N 2.74Å; A151-L157 HydrophobicContact CB-CD1 3.98Å; A151-L157 HydrophobicContact CB-CD2 4.39Å; A151-L157 HydrophobicContact CB-CG 4.44Å; A151-Y222 WeakPolarHBondContact O-CB 3.43Å; A151-Y222 WeakPolarHBondContact O-CD2 3.3Å; A151-S224 WeakPolarHBondContact O-CB 3.33Å; A151-S224 PolarHBondContact O-OG 3.39Å |
| 152 | Q | 97.4 | Very high | 97.9 | Very high | 109 Ų | 109 | 47.9 Ų | 47.9 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 7.4 | 179.5 | -67.3 | 170.1 | 73.8 | 0 | 0 | 113.1 | S148 E149 A150 Y222 | S148-Q152 PolarHBondContact O-NE2 2.72Å; E149-Q152 PolarHBondContact O-N 3.16Å; A150-Q152 PolarHBondContact O-N 3.28Å; Q152-Y222 HydrophobicContact CG-CD2 3.94Å; Q152-Y222 HydrophobicContact CG-CE1 4.21Å; Q152-Y222 HydrophobicContact CG-CE2 3.55Å; Q152-Y222 HydrophobicContact CG-CG 4.43Å |
| 153 | R | 98.3 | Very high | 98 | Very high | 113 Ų | 113 | 42.9 Ų | 42.9 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -117.8 | 141 | -170.1 | -55.5 | -63.8 | -170.1 | -159.1 | 2.2 | 111.5 | Y144 E149 A150 Q155 G156 S224 | Y144-R153 HydrophobicContact CD1-CG 4.28Å; Y144-R153 HydrophobicContact CE1-CB 4.24Å; Y144-R153 HydrophobicContact CE1-CG 3.65Å; Y144-R153 HydrophobicContact CE2-CB 3.86Å; Y144-R153 HydrophobicContact CE2-CG 4.09Å; Y144-R153 WeakPolarHBondContact OH-CB 3.43Å; E149-R153 WeakPolarHBondContact O-CG 3.32Å; A150-R153 WeakPolarHBondContact O-CB 3.19Å; A150-R153 PolarHBondContact O-N 3.28Å; R153-Q155 PolarHBondContact O-N 3.35Å; R153-G156 PolarHBondContact O-N 2.91Å; R153-S224 VanDerWaalsContact O-CA 3.26Å; R153-S224 WeakPolarHBondContact O-CA 3.49Å; R153-S224 WeakPolarHBondContact O-CB 3.5Å |
| 154 | P | 97.6 | Very high | 98 | Very high | 113 Ų | 113 | 40.2 Ų | 40.2 | 73% | 0.734 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 123.2 | 176.8 | -24.7 | 34.4 | 0 | 0 | 0 | 111.4 | G156 | P154-G156 PolarHBondContact O-N 2.6Å; P154-G156 VanDerWaalsContact O-N 3.14Å |
| 155 | Q | 97.9 | Very high | 98 | Very high | 72 Ų | 72 | 40.3 Ų | 40.3 | 34% | 0.336 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21.3 | -172.9 | -58 | -179.1 | 9.8 | 0 | 0 | 114.8 | Y103 R153 L157 N213 S224 L226 | Y103-Q155 VanDerWaalsContact CE1-O 3.31Å; Y103-Q155 WeakPolarHBondContact CE1-O 3.47Å; Y103-Q155 PolarHBondContact OH-O 2.83Å; R153-Q155 PolarHBondContact O-N 3.35Å; Q155-L157 PolarHBondContact O-N 3.26Å; Q155-N213 PolarHBondContact NE2-OD1 3.39Å; Q155-S224 CarbonylContact C-O 3.59Å; Q155-S224 WeakPolarHBondContact CA-O 3.2Å; Q155-S224 PolarHBondContact N-O 2.73Å; Q155-L226 HydrophobicContact CG-CB 4.46Å |
| 156 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -66.4 | -22 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y139 D140 A150 R153 P154 S224 | Y139-G156 CarbonylContact C-O 3.47Å; Y139-G156 WeakPolarHBondContact CA-O 3.36Å; D140-G156 PolarHBondContact N-O 3.17Å; A150-G156 WeakPolarHBondContact CB-O 3.45Å; A150-G156 WeakPolarHBondContact O-CA 3.35Å; R153-G156 PolarHBondContact O-N 2.91Å; P154-G156 PolarHBondContact O-N 2.6Å; P154-G156 VanDerWaalsContact O-N 3.14Å; G156-S224 PolarHBondContact N-O 3.27Å | ||
| 157 | L | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 150.7 | 176 | -55.7 | -174.9 | 0 | 0 | 0 | 112 | H138 L147 A150 A151 Q155 L216 S224 V225 L226 | H138-L157 VanDerWaalsContact O-CA 3.31Å; H138-L157 WeakPolarHBondContact O-CA 3.5Å; L147-L157 HydrophobicContact CD1-CD2 3.57Å; A150-L157 HydrophobicContact CB-CD2 4.06Å; A151-L157 HydrophobicContact CB-CD1 3.98Å; A151-L157 HydrophobicContact CB-CD2 4.39Å; A151-L157 HydrophobicContact CB-CG 4.44Å; Q155-L157 PolarHBondContact O-N 3.26Å; L157-L216 HydrophobicContact CD1-CD2 3.68Å; L157-L216 HydrophobicContact CD1-CG 4.36Å; L157-S224 PolarHBondContact N-O 1.91Å; L157-V225 HydrophobicContact CB-CG2 4.06Å; L157-V225 HydrophobicContact CD1-CG2 4.08Å; L157-L226 PolarHBondContact O-N 2.75Å |
| 158 | A | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L99 Y103 H138 L226 | L99-A158 HydrophobicContact CD1-CB 3.73Å; Y103-A158 HydrophobicContact CD1-CB 3.43Å; Y103-A158 VanDerWaalsContact CD1-CB 3.43Å; Y103-A158 HydrophobicContact CD2-CB 4.03Å; Y103-A158 HydrophobicContact CE1-CB 3.79Å; Y103-A158 HydrophobicContact CE2-CB 4.32Å; Y103-A158 HydrophobicContact CG-CB 3.56Å; H138-A158 WeakPolarHBondContact CA-O 3.48Å; H138-A158 HydrophobicContact CB-CB 4.49Å; H138-A158 WeakPolarHBondContact CB-O 3.39Å; H138-A158 PolarHBondContact N-O 3.05Å; H138-A158 PolarHBondContact ND1-O 3.27Å; H138-A158 PolarHBondContact O-N 3.34Å; A158-L226 WeakPolarHBondContact CA-O 3.37Å |
| 159 | V | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.2 | -179.3 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | H135 I136 V137 V225 L226 W227 T228 | H135-V159 HydrophobicContact CB-CG1 3.93Å; I136-V159 WeakPolarHBondContact O-CA 3.38Å; V137-V159 HydrophobicContact CB-CG2 4.43Å; V137-V159 HydrophobicContact CG1-CG2 4.29Å; V137-V159 HydrophobicContact CG2-CG1 4.32Å; V137-V159 HydrophobicContact CG2-CG2 4.05Å; V159-V225 HydrophobicContact CB-CG1 3.81Å; V159-V225 HydrophobicContact CG2-CG1 3.54Å; V159-V225 HydrophobicContact CG2-CG2 4.45Å; V159-L226 PolarHBondContact N-O 3.48Å; V159-W227 HydrophobicContact CB-CD2 4.35Å; V159-W227 HydrophobicContact CB-CE3 4.01Å; V159-W227 HydrophobicContact CB-CH2 3.92Å; V159-W227 HydrophobicContact CB-CZ2 4.27Å; V159-W227 HydrophobicContact CB-CZ3 3.8Å; V159-W227 HydrophobicContact CG1-CE3 4.08Å; V159-W227 HydrophobicContact CG1-CH2 3.49Å; V159-W227 VanDerWaalsContact CG1-CH2 3.49Å; V159-W227 HydrophobicContact CG1-CZ2 4.28Å; V159-W227 HydrophobicContact CG1-CZ3 3.39Å; V159-T228 PolarHBondContact O-N 2.84Å |
| 160 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 119.1 | 169.1 | -55.2 | -172.6 | 0 | 0 | 0 | 109 | L64 L96 H135 I136 I162 L202 T228 F230 | L64-L160 HydrophobicContact CD1-CD2 4.37Å; L64-L160 HydrophobicContact CD2-CD1 3.88Å; L64-L160 HydrophobicContact CD2-CD2 3.63Å; L64-L160 HydrophobicContact CD2-CG 4.43Å; L96-L160 HydrophobicContact CD1-CD1 4.34Å; L96-L160 HydrophobicContact CD1-CD2 3.85Å; L96-L160 HydrophobicContact CD1-CG 4.09Å; L96-L160 HydrophobicContact CD2-CD1 4.04Å; H135-L160 VanDerWaalsContact CA-O 3.32Å; H135-L160 WeakPolarHBondContact CA-O 3.46Å; I136-L160 HydrophobicContact CB-CB 4.27Å; I136-L160 PolarHBondContact N-O 3.04Å; I136-L160 PolarHBondContact O-N 2.92Å; L160-I162 HydrophobicContact CB-CD1 3.88Å; L160-L202 HydrophobicContact CD1-CD2 4.38Å; L160-T228 CarbonylContact C-O 3.57Å; L160-T228 WeakPolarHBondContact CA-O 3.46Å; L160-T228 HydrophobicContact CD2-CG2 4.12Å; L160-F230 HydrophobicContact CB-CE2 4.19Å; L160-F230 HydrophobicContact CD1-CE2 4.32Å; L160-F230 HydrophobicContact CD1-CZ 4.46Å |
| 161 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 118.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T228 V229 F230 | G161-T228 PolarHBondContact N-O 3.48Å; G161-V229 WeakPolarHBondContact O-CA 3.45Å; G161-F230 PolarHBondContact O-N 3.44Å |
| 162 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 107.1 | 176.9 | -58.6 | 69.9 | 0 | 0 | 0 | 107.7 | E133 L134 I136 L160 L202 F230 S234 | E133-I162 WeakPolarHBondContact CA-O 3.12Å; E133-I162 WeakPolarHBondContact CG-O 3.37Å; L134-I162 HydrophobicContact CB-CB 4.18Å; L134-I162 HydrophobicContact CD2-CB 4.48Å; L134-I162 HydrophobicContact CD2-CD1 4.3Å; L134-I162 HydrophobicContact CD2-CG1 4.4Å; L134-I162 HydrophobicContact CG-CD1 4.3Å; L134-I162 PolarHBondContact N-O 3.5Å; L134-I162 PolarHBondContact O-N 3.42Å; I136-I162 HydrophobicContact CD1-CD1 4.36Å; I136-I162 HydrophobicContact CG1-CD1 4.34Å; L160-I162 HydrophobicContact CB-CD1 3.88Å; I162-L202 HydrophobicContact CD1-CD2 3.94Å; I162-L202 HydrophobicContact CG1-CD2 4.02Å; I162-F230 HydrophobicContact CD1-CD2 4.15Å; I162-F230 HydrophobicContact CD1-CE2 4.08Å; I162-F230 HydrophobicContact CG1-CD2 3.83Å; I162-F230 HydrophobicContact CG1-CE2 4.1Å; I162-S234 WeakPolarHBondContact CG2-OG 3.37Å |
| 163 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136 | 172.6 | -73.7 | 85 | 0 | 0 | 0 | 109.7 | H123 I125 T130 V229 R233 S234 | H123-L163 HydrophobicContact CB-CD1 4.42Å; I125-L163 HydrophobicContact CD1-CD1 4.34Å; I125-L163 HydrophobicContact CD1-CD2 4.22Å; I125-L163 HydrophobicContact CG1-CD2 4.3Å; T130-L163 HydrophobicContact CG2-CB 4.11Å; T130-L163 HydrophobicContact CG2-CD2 4.02Å; T130-L163 WeakPolarHBondContact OG1-CB 3.4Å; L163-V229 HydrophobicContact CD1-CG1 3.45Å; L163-V229 VanDerWaalsContact CD1-CG1 3.45Å; L163-R233 HydrophobicContact CB-CG 4.05Å; L163-R233 CarbonylContact O-C 3.58Å; L163-R233 WeakPolarHBondContact O-CA 3.18Å; L163-R233 WeakPolarHBondContact O-CB 3.3Å; L163-S234 PolarHBondContact O-N 2.93Å |
| 164 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125.4 | -175.8 | -56 | 163.1 | 0 | 0 | 0 | 110.1 | L110 T130 V131 A132 L134 Y174 S234 I236 | L110-I164 HydrophobicContact CD2-CD1 3.77Å; T130-I164 WeakPolarHBondContact CB-O 3.23Å; T130-I164 PolarHBondContact OG1-N 3.17Å; T130-I164 PolarHBondContact OG1-O 2.97Å; T130-I164 VanDerWaalsContact OG1-O 3.12Å; V131-I164 VanDerWaalsContact CG2-O 3.23Å; V131-I164 WeakPolarHBondContact CG2-O 3.13Å; V131-I164 PolarHBondContact N-O 3.17Å; A132-I164 HydrophobicContact CB-CB 4.1Å; A132-I164 HydrophobicContact CB-CD1 4.02Å; A132-I164 PolarHBondContact N-O 3.25Å; A132-I164 WeakPolarHBondContact O-CB 3.16Å; A132-I164 PolarHBondContact O-N 3.03Å; L134-I164 HydrophobicContact CB-CD1 4.01Å; I164-Y174 HydrophobicContact CD1-CE1 3.51Å; I164-Y174 HydrophobicContact CG1-CE1 4.24Å; I164-Y174 WeakPolarHBondContact CG1-OH 3.41Å; I164-S234 VanDerWaalsContact CA-O 3.32Å; I164-S234 WeakPolarHBondContact CA-O 3.31Å; I164-I236 HydrophobicContact CG2-CB 4.44Å; I164-I236 HydrophobicContact CG2-CD1 3.98Å; I164-I236 HydrophobicContact CG2-CG1 3.81Å; I164-I236 HydrophobicContact CG2-CG2 3.99Å |
| 165 | E | 98.5 | Very high | 98.5 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 170.6 | 173.6 | 71.9 | -169.8 | 174.7 | 0 | 0 | 112.2 | R233 S234 Q235 I236 | E165-R233 VanDerWaalsContact CD-CD 3.5Å; E165-R233 HydrophobicContact CG-CB 4.11Å; E165-R233 WeakPolarHBondContact OE2-CD 3.38Å; E165-R233 IonicContact OE2-CZ 2.66Å; E165-R233 IonicContact OE2-NE 3.68Å; E165-R233 IonicContact OE2-NH1 2.84Å; E165-R233 PolarHBondContact OE2-NH1 2.69Å; E165-S234 PolarHBondContact N-O 3.41Å; E165-Q235 HydrophobicContact CG-CG 3.69Å; E165-Q235 WeakPolarHBondContact O-CA 3.43Å; E165-Q235 PolarHBondContact OE1-NE2 2.2Å; E165-I236 PolarHBondContact O-N 3.49Å; E165-I236 VanDerWaalsContact O-N 3.1Å |
| 166 | V | 98.4 | Very high | 98.6 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 37% | 0.37 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.7 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | V131 I236 M238 L241 | V131-V166 HydrophobicContact CG1-CG2 4.09Å; V131-V166 HydrophobicContact CG2-CG2 3.98Å; V166-I236 CarbonylContact C-O 3.46Å; V166-I236 WeakPolarHBondContact CA-O 3.35Å; V166-M238 HydrophobicContact CG1-CB 4.08Å; V166-M238 HydrophobicContact CG1-SD 4.46Å; V166-M238 HydrophobicContact CG2-SD 4.44Å; V166-L241 HydrophobicContact CG2-CD2 3.69Å |
| 167 | G | 97.7 | Very high | 98.6 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | trans | -111.9 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I236 | G167-I236 PolarHBondContact N-O 3.01Š| ||
| 168 | E | 97 | Very high | 98.6 | Very high | 199 Ų | 199 | 38.3 Ų | 38.3 | 93% | 0.93 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -74.4 | -23.1 | -176.9 | -61.4 | -175.7 | 173.8 | 0 | 0 | 113.9 | ||
| 169 | T | 97.9 | Very high | 98.6 | Very high | 104 Ų | 104 | 40 Ų | 40 | 64% | 0.638 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -120 | 146.5 | -170.7 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | N171 | T169-N171 PolarHBondContact O-N 3Š|
| 170 | K | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 41.3 Ų | 41.3 | 47% | 0.47 | 21% | 0.214 | S | C | . | . | trans | -56.3 | 127 | 169 | 177.9 | 176 | -71.7 | -152.3 | 0 | 110.4 | I172 E175 Q240 | K170-I172 HydrophobicContact CD-CD1 4.42Å; K170-I172 HydrophobicContact CG-CD1 4.41Å; K170-E175 HydrophobicContact CD-CG 4.21Å; K170-E175 IonicContact NZ-OE1 2.75Å; K170-E175 PolarHBondContact NZ-OE1 3.01Å; K170-E175 IonicContact NZ-OE2 3.74Å; K170-Q240 HydrophobicContact CG-CG 4.47Å | ||
| 171 | N | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | trans | -88 | 117 | 172.3 | -175.7 | -38.8 | 0 | 0 | 0 | 109.9 | T169 A173 Y174 E175 Q235 I236 Q240 | T169-N171 PolarHBondContact O-N 3Å; N171-A173 WeakPolarHBondContact OD1-CB 3.42Å; N171-A173 PolarHBondContact OD1-N 3.39Å; N171-Y174 HydrophobicContact CB-CD2 4.37Å; N171-Y174 WeakPolarHBondContact ND2-CD2 3.36Å; N171-Y174 PolarHBondContact OD1-N 2.95Å; N171-E175 PolarHBondContact O-N 2.98Å; N171-E175 VanDerWaalsContact O-N 3.09Å; N171-Q235 WeakPolarHBondContact CB-O 3.39Å; N171-Q235 PolarHBondContact ND2-O 2.96Å; N171-I236 HydrophobicContact CB-CG2 4.27Å; N171-Q240 PolarHBondContact O-NE2 3.16Å | ||
| 172 | I | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 47 Ų | 47 | 54% | 0.538 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.3 | -38.9 | -175.8 | -55.8 | -55.8 | 0 | 0 | 0 | 111.9 | K170 Y174 E175 H176 | K170-I172 HydrophobicContact CD-CD1 4.42Å; K170-I172 HydrophobicContact CG-CD1 4.41Å; I172-Y174 PolarHBondContact O-N 3.44Å; I172-E175 WeakPolarHBondContact O-CB 3.48Å; I172-E175 PolarHBondContact O-N 2.69Å; I172-H176 PolarHBondContact O-CD2 2.67Å; I172-H176 PolarHBondContact O-N 3.16Å |
| 173 | A | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | N171 E175 H176 F196 E200 L201 | N171-A173 WeakPolarHBondContact OD1-CB 3.42Å; N171-A173 PolarHBondContact OD1-N 3.39Å; A173-E175 VanDerWaalsContact C-N 3.33Å; A173-H176 PolarHBondContact O-N 2.8Å; A173-F196 WeakPolarHBondContact O-CE2 3.44Å; A173-E200 VanDerWaalsContact CB-C 3.49Å; A173-E200 HydrophobicContact CB-CB 3.47Å; A173-E200 VanDerWaalsContact CB-CB 3.47Å; A173-E200 WeakPolarHBondContact CB-O 3.36Å; A173-L201 HydrophobicContact CB-CD2 3.89Å; A173-L201 HydrophobicContact CB-CG 4.36Å |
| 174 | Y | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -32 | 173.3 | -78.6 | -97.1 | 0 | 0 | 0 | 112.1 | L110 L134 I164 N171 I172 H176 I177 L178 L201 I236 | L110-Y174 HydrophobicContact CD2-CE1 4.28Å; L134-Y174 HydrophobicContact CD2-CE1 4.43Å; I164-Y174 HydrophobicContact CD1-CE1 3.51Å; I164-Y174 HydrophobicContact CG1-CE1 4.24Å; I164-Y174 WeakPolarHBondContact CG1-OH 3.41Å; N171-Y174 HydrophobicContact CB-CD2 4.37Å; N171-Y174 WeakPolarHBondContact ND2-CD2 3.36Å; N171-Y174 PolarHBondContact OD1-N 2.95Å; I172-Y174 PolarHBondContact O-N 3.44Å; Y174-H176 PolarHBondContact O-N 3Å; Y174-I177 PolarHBondContact O-N 2.88Å; Y174-L178 WeakPolarHBondContact O-CB 3.44Å; Y174-L178 VanDerWaalsContact O-CG 3.3Å; Y174-L178 WeakPolarHBondContact O-CG 3.39Å; Y174-L178 PolarHBondContact O-N 3.07Å; Y174-L201 HydrophobicContact CD1-CD2 4.2Å; Y174-L201 HydrophobicContact CD2-CD2 3.68Å; Y174-L201 HydrophobicContact CE1-CD2 4.34Å; Y174-L201 HydrophobicContact CE2-CB 4.33Å; Y174-L201 HydrophobicContact CE2-CD2 3.85Å; Y174-L201 HydrophobicContact CG-CD2 3.89Å; Y174-L201 PolarHBondContact OH-O 3.22Å; Y174-I236 HydrophobicContact CD1-CG2 3.89Å; Y174-I236 HydrophobicContact CD2-CG2 3.86Å; Y174-I236 HydrophobicContact CE1-CG2 4.42Å; Y174-I236 HydrophobicContact CE2-CG2 4.38Å; Y174-I236 HydrophobicContact CG-CG2 3.57Å |
| 175 | E | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -31.5 | 177.4 | -164.5 | 71.6 | 172.9 | 0 | 0 | 112.7 | K170 N171 I172 A173 I177 L178 S179 Q240 | K170-E175 HydrophobicContact CD-CG 4.21Å; K170-E175 IonicContact NZ-OE1 2.75Å; K170-E175 PolarHBondContact NZ-OE1 3.01Å; K170-E175 IonicContact NZ-OE2 3.74Å; N171-E175 PolarHBondContact O-N 2.98Å; N171-E175 VanDerWaalsContact O-N 3.09Å; I172-E175 WeakPolarHBondContact O-CB 3.48Å; I172-E175 PolarHBondContact O-N 2.69Å; A173-E175 VanDerWaalsContact C-N 3.33Å; E175-I177 PolarHBondContact O-N 3.17Å; E175-L178 PolarHBondContact O-N 2.92Å; E175-S179 VanDerWaalsContact O-CB 3.27Å; E175-S179 WeakPolarHBondContact O-CB 3.32Å; E175-S179 PolarHBondContact O-N 2.64Å; E175-S179 PolarHBondContact O-OG 3.46Å; E175-S179 VanDerWaalsContact O-OG 3.09Å; E175-Q240 PolarHBondContact OE2-NE2 3.33Å |
| 176 | H | 98.7 | Very high | 98.5 | Very high | 73 Ų | 73 | 51 Ų | 51 | 34% | 0.338 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.9 | -31.5 | 174.5 | -76.3 | -86.6 | 0 | 0 | 0 | 113.4 | I172 A173 Y174 S179 H180 V193 F196 | I172-H176 PolarHBondContact O-CD2 2.67Å; I172-H176 PolarHBondContact O-N 3.16Å; A173-H176 PolarHBondContact O-N 2.8Å; Y174-H176 PolarHBondContact O-N 3Å; H176-S179 PolarHBondContact O-OG 2.83Å; H176-H180 PolarHBondContact O-CE1 3.28Å; H176-H180 PolarHBondContact O-ND1 2.88Å; H176-V193 WeakPolarHBondContact O-CG1 3.35Å; H176-F196 HydrophobicContact CB-CB 4.25Å; H176-F196 HydrophobicContact CB-CD1 3.66Å; H176-F196 HydrophobicContact CB-CD2 3.78Å; H176-F196 HydrophobicContact CB-CE1 3.87Å; H176-F196 HydrophobicContact CB-CE2 3.97Å; H176-F196 HydrophobicContact CB-CG 3.62Å; H176-F196 HydrophobicContact CB-CZ 4.02Å; H176-F196 AromaticContact CD2-CD2 3.87Å; H176-F196 AromaticContact CD2-CG 3.96Å; H176-F196 AromaticContact CG-CD2 3.85Å; H176-F196 AromaticContact CG-CG 3.6Å; H176-F196 AromaticContact ND1-CG 3.95Å |
| 177 | I | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -86.9 | -51.1 | 172.9 | -60.1 | 169.4 | 0 | 0 | 0 | 109.4 | L79 L108 Y174 E175 S179 H180 L181 F196 L201 | L79-I177 HydrophobicContact CD1-CG2 3.96Å; L108-I177 HydrophobicContact CD1-CD1 3.8Å; Y174-I177 PolarHBondContact O-N 2.88Å; E175-I177 PolarHBondContact O-N 3.17Å; I177-S179 VanDerWaalsContact C-N 3.25Å; I177-S179 PolarHBondContact O-N 2.94Å; I177-H180 PolarHBondContact O-N 2.79Å; I177-H180 VanDerWaalsContact O-N 3.14Å; I177-L181 HydrophobicContact CG2-CD2 4.5Å; I177-F196 HydrophobicContact CD1-CZ 4.05Å; I177-F196 HydrophobicContact CG1-CE1 4.25Å; I177-F196 HydrophobicContact CG1-CZ 3.8Å; I177-L201 HydrophobicContact CD1-CD1 4.26Å; I177-L201 HydrophobicContact CD1-CD2 4.47Å |
| 178 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -24.5 | -171.1 | -63.1 | 178.5 | 0 | 0 | 0 | 113 | Y174 E175 H180 L181 Q240 K243 L244 | Y174-L178 WeakPolarHBondContact O-CB 3.44Å; Y174-L178 VanDerWaalsContact O-CG 3.3Å; Y174-L178 WeakPolarHBondContact O-CG 3.39Å; Y174-L178 PolarHBondContact O-N 3.07Å; E175-L178 PolarHBondContact O-N 2.92Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 3.27Å; L178-L181 HydrophobicContact CD2-CD1 3.79Å; L178-L181 HydrophobicContact CD2-CG 4.42Å; L178-Q240 HydrophobicContact CD1-CB 3.62Å; L178-Q240 HydrophobicContact CD1-CG 3.95Å; L178-K243 WeakPolarHBondContact O-CD 3.46Å; L178-K243 WeakPolarHBondContact O-CE 3.27Å; L178-K243 PolarHBondContact O-NZ 2.97Å; L178-L244 HydrophobicContact CD2-CB 4.05Å; L178-L244 HydrophobicContact CD2-CD1 4.01Å; L178-L244 HydrophobicContact CD2-CG 4.48Å |
| 179 | S | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 26% | 0.259 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -42.7 | 173.9 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | E175 H176 I177 H182 K243 | E175-S179 VanDerWaalsContact O-CB 3.27Å; E175-S179 WeakPolarHBondContact O-CB 3.32Å; E175-S179 PolarHBondContact O-N 2.64Å; E175-S179 PolarHBondContact O-OG 3.46Å; E175-S179 VanDerWaalsContact O-OG 3.09Å; H176-S179 PolarHBondContact O-OG 2.83Å; I177-S179 VanDerWaalsContact C-N 3.25Å; I177-S179 PolarHBondContact O-N 2.94Å; S179-H182 PolarHBondContact O-CE1 2.9Å; S179-H182 PolarHBondContact O-ND1 2.93Å; S179-K243 PolarHBondContact O-NZ 3.21Å |
| 180 | H | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -87 | -6.9 | -168.9 | -59.4 | 98.3 | 0 | 0 | 0 | 115 | L79 H176 I177 L178 H182 E183 T191 V193 | L79-H180 HydrophobicContact CD2-CB 3.74Å; H176-H180 PolarHBondContact O-CE1 3.28Å; H176-H180 PolarHBondContact O-ND1 2.88Å; I177-H180 PolarHBondContact O-N 2.79Å; I177-H180 VanDerWaalsContact O-N 3.14Å; L178-H180 VanDerWaalsContact C-N 3.3Å; L178-H180 PolarHBondContact O-N 3.27Å; H180-H182 PolarHBondContact O-N 3.35Å; H180-E183 IonicContact CD2-OE1 3.73Å; H180-E183 PolarHBondContact CD2-OE1 2.93Å; H180-E183 IonicContact CD2-OE2 2.79Å; H180-E183 IonicContact CG-OE1 2.86Å; H180-E183 WeakPolarHBondContact O-CB 3.14Å; H180-E183 PolarHBondContact O-N 2.82Å; H180-T191 HydrophobicContact CB-CG2 3.99Å; H180-V193 HydrophobicContact CB-CG2 4.31Å |
| 181 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -55.3 | -29.7 | -177 | -59.8 | -170.9 | 0 | 0 | 0 | 114.2 | V86 I177 L178 E183 I184 S185 L244 T247 L248 | V86-L181 HydrophobicContact CB-CD2 4.25Å; V86-L181 HydrophobicContact CG1-CD2 4.1Å; V86-L181 HydrophobicContact CG2-CD2 3.91Å; I177-L181 HydrophobicContact CG2-CD2 4.5Å; L178-L181 HydrophobicContact CD2-CD1 3.79Å; L178-L181 HydrophobicContact CD2-CG 4.42Å; L181-E183 PolarHBondContact O-N 2.97Å; L181-I184 CarbonylContact O-C 3.57Å; L181-I184 PolarHBondContact O-N 3.05Å; L181-S185 PolarHBondContact O-N 3Å; L181-L244 HydrophobicContact CD1-CD1 4.16Å; L181-T247 HydrophobicContact CB-CG2 3.73Å; L181-L248 HydrophobicContact CB-CD2 4.1Å; L181-L248 HydrophobicContact CD2-CD1 4.27Å; L181-L248 HydrophobicContact CD2-CD2 4.45Å; L181-L248 WeakPolarHBondContact O-CD2 3.47Å |
| 182 | H | 98.4 | Very high | 98.6 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -71.2 | -15.8 | -179.9 | 76.6 | -72.2 | 0 | 0 | 0 | 113.9 | S179 H180 T247 | S179-H182 PolarHBondContact O-CE1 2.9Å; S179-H182 PolarHBondContact O-ND1 2.93Å; H180-H182 PolarHBondContact O-N 3.35Å; H182-T247 HydrophobicContact CB-CG2 4.25Å |
| 183 | E | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 39.8 Ų | 39.8 | 36% | 0.36 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -87.7 | -11.6 | 176.9 | -61.7 | 160.1 | -140.7 | 0 | 0 | 112 | H180 L181 T191 | H180-E183 IonicContact CD2-OE1 3.73Å; H180-E183 PolarHBondContact CD2-OE1 2.93Å; H180-E183 IonicContact CD2-OE2 2.79Å; H180-E183 IonicContact CG-OE1 2.86Å; H180-E183 WeakPolarHBondContact O-CB 3.14Å; H180-E183 PolarHBondContact O-N 2.82Å; L181-E183 PolarHBondContact O-N 2.97Å; E183-T191 HydrophobicContact CB-CG2 4.07Å; E183-T191 WeakPolarHBondContact OE2-CB 3.43Å; E183-T191 WeakPolarHBondContact OE2-CG2 3.31Å; E183-T191 PolarHBondContact OE2-OG1 3.11Å |
| 184 | I | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -131.5 | 35.5 | -176.7 | 58.8 | 167 | 0 | 0 | 0 | 111.6 | L79 N81 V86 L181 H186 Q189 K190 T191 L248 | L79-I184 HydrophobicContact CD2-CD1 3.65Å; L79-I184 HydrophobicContact CG-CD1 3.7Å; N81-I184 HydrophobicContact CB-CB 4.18Å; N81-I184 HydrophobicContact CB-CD1 4.25Å; N81-I184 HydrophobicContact CB-CG1 4.42Å; N81-I184 WeakPolarHBondContact CB-O 3.42Å; N81-I184 PolarHBondContact ND2-O 2.86Å; V86-I184 HydrophobicContact CG2-CD1 3.71Å; L181-I184 CarbonylContact O-C 3.57Å; L181-I184 PolarHBondContact O-N 3.05Å; I184-H186 VanDerWaalsContact C-N 3.27Å; I184-H186 PolarHBondContact O-N 2.89Å; I184-Q189 VanDerWaalsContact C-OE1 3.28Å; I184-Q189 HydrophobicContact CB-CB 4.08Å; I184-Q189 HydrophobicContact CG2-CB 4.18Å; I184-K190 VanDerWaalsContact CG2-C 3.48Å; I184-T191 HydrophobicContact CG2-CG2 3.82Å; I184-L248 HydrophobicContact CG1-CD2 4.11Å; I184-L248 WeakPolarHBondContact O-CD2 3.34Å |
| 185 | S | 98.3 | Very high | 98.6 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | -60.7 | -33.7 | -174.4 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | N81 L181 L248 F249 | N81-S185 PolarHBondContact ND2-O 3.03Å; L181-S185 PolarHBondContact O-N 3Å; S185-L248 CarbonylContact O-C 3.56Å; S185-F249 WeakPolarHBondContact O-CA 3.45Å; S185-F249 WeakPolarHBondContact O-CB 3.11Å; S185-F249 WeakPolarHBondContact O-CD2 3.33Å; S185-F249 PolarHBondContact O-N 2.79Å | ||
| 186 | H | 98.6 | Very high | 98.6 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -95.7 | 156.7 | 177 | -63.6 | -90 | 0 | 0 | 0 | 112.7 | N81 I184 Q189 F249 T251 E252 S256 | N81-H186 VanDerWaalsContact ND2-C 3.27Å; N81-H186 PolarHBondContact ND2-O 2.9Å; I184-H186 VanDerWaalsContact C-N 3.27Å; I184-H186 PolarHBondContact O-N 2.89Å; H186-Q189 HydrophobicContact CB-CG 4.08Å; H186-Q189 WeakPolarHBondContact O-CB 3.42Å; H186-Q189 WeakPolarHBondContact O-CG 3.48Å; H186-Q189 PolarHBondContact O-N 2.83Å; H186-F249 AromaticContact CE1-CD2 3.71Å; H186-F249 AromaticContact ND1-CD2 3.9Å; H186-F249 AromaticContact NE2-CD2 3.96Å; H186-T251 WeakPolarHBondContact CB-O 3.07Å; H186-E252 WeakPolarHBondContact CB-O 3.36Å; H186-S256 PolarHBondContact CE1-OG 3.41Å; H186-S256 VanDerWaalsContact CE1-OG 3.28Å |
| 187 | K | 98.4 | Very high | 98.6 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 145.5 | 172.9 | 170.3 | 177.1 | 176.2 | -74.8 | 0 | 111 | Q189 T251 E252 | K187-Q189 PolarHBondContact O-N 2.85Å; K187-Q189 VanDerWaalsContact O-N 3.16Å; K187-T251 PolarHBondContact N-O 3.42Å; K187-E252 HydrophobicContact CB-CG 3.94Å; K187-E252 HydrophobicContact CD-CG 4.01Å; K187-E252 HydrophobicContact CG-CG 3.87Å; K187-E252 IonicContact NZ-OE1 3.65Å; K187-E252 PolarHBondContact NZ-OE1 3.04Å |
| 188 | D | 98.2 | Very high | 98.6 | Very high | 79 Ų | 79 | 42.4 Ų | 42.4 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 1.9 | -177.2 | -55.8 | -40.4 | 0 | 0 | 0 | 116 | H80 N81 | H80-D188 IonicContact NE2-OD1 2.97Å; N81-D188 WeakPolarHBondContact O-CA 3.11Å; N81-D188 PolarHBondContact O-N 2.9Å |
| 189 | Q | 98.6 | Very high | 98.5 | Very high | 71 Ų | 71 | 48 Ų | 48 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | trans | -71.7 | 144.6 | 170.2 | -66.2 | -172.5 | -37.6 | 0 | 0 | 112.1 | H80 N81 I184 H186 K187 | H80-Q189 PolarHBondContact CD2-O 3.37Å; N81-Q189 PolarHBondContact N-O 2.85Å; N81-Q189 VanDerWaalsContact N-O 3.11Å; I184-Q189 VanDerWaalsContact C-OE1 3.28Å; I184-Q189 HydrophobicContact CB-CB 4.08Å; I184-Q189 HydrophobicContact CG2-CB 4.18Å; H186-Q189 HydrophobicContact CB-CG 4.08Å; H186-Q189 WeakPolarHBondContact O-CB 3.42Å; H186-Q189 WeakPolarHBondContact O-CG 3.48Å; H186-Q189 PolarHBondContact O-N 2.83Å; K187-Q189 PolarHBondContact O-N 2.85Å; K187-Q189 VanDerWaalsContact O-N 3.16Å | ||
| 190 | K | 98.8 | Very high | 98.5 | Very high | 117 Ų | 117 | 51.4 Ų | 51.4 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.1 | -178.9 | -62.2 | -178.8 | -175.9 | 177.3 | 0 | 111.7 | L79 H80 I184 | L79-K190 CarbonylContact O-C 3.33Å; L79-K190 VanDerWaalsContact O-CA 3.24Å; L79-K190 WeakPolarHBondContact O-CA 3.41Å; H80-K190 HydrophobicContact CB-CD 4.49Å; H80-K190 HydrophobicContact CB-CG 3.97Å; H80-K190 WeakPolarHBondContact CD2-CE 3.47Å; H80-K190 VanDerWaalsContact CD2-CG 3.45Å; H80-K190 WeakPolarHBondContact CD2-CG 3.5Å; I184-K190 VanDerWaalsContact CG2-C 3.48Å |
| 191 | T | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.172 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 175.7 | 168.7 | -168 | 0 | 0 | 0 | 0 | 109.9 | L79 H180 E183 I184 | L79-T191 HydrophobicContact CB-CG2 4.13Å; L79-T191 HydrophobicContact CD2-CG2 4.18Å; L79-T191 PolarHBondContact N-O 3.21Å; L79-T191 PolarHBondContact O-N 3.43Å; H180-T191 HydrophobicContact CB-CG2 3.99Å; E183-T191 HydrophobicContact CB-CG2 4.07Å; E183-T191 WeakPolarHBondContact OE2-CB 3.43Å; E183-T191 WeakPolarHBondContact OE2-CG2 3.31Å; E183-T191 PolarHBondContact OE2-OG1 3.11Å; I184-T191 HydrophobicContact CG2-CG2 3.82Å |
| 192 | S | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 44% | 0.441 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.9 | -176.8 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 193 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129 | -178.9 | -180 | 0 | 0 | 0 | 0 | 109.5 | L77 L79 L88 H176 H180 F196 | L77-V193 PolarHBondContact N-O 2.92Å; L77-V193 PolarHBondContact O-N 2.86Å; L79-V193 HydrophobicContact CB-CG2 3.69Å; L79-V193 HydrophobicContact CD2-CG2 3.93Å; L79-V193 HydrophobicContact CG-CG2 4.26Å; L88-V193 HydrophobicContact CD1-CB 4.12Å; L88-V193 HydrophobicContact CD1-CG2 4.14Å; H176-V193 WeakPolarHBondContact O-CG1 3.35Å; H180-V193 HydrophobicContact CB-CG2 4.31Å; V193-F196 HydrophobicContact CG1-CD1 4.22Å; V193-F196 HydrophobicContact CG1-CE1 4.19Å |
| 194 | P | 98.5 | Very high | 98.1 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -59 | 140.1 | 173.1 | -24.2 | 34.3 | 0 | 0 | 0 | 111.9 | F196 | P194-F196 PolarHBondContact O-N 3.26Š|
| 195 | P | 98.4 | Very high | 97.9 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 29% | 0.286 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 134 | 173.8 | -32.2 | 38.7 | 0 | 0 | 0 | 113 | P72 E75 | P72-P195 HydrophobicContact CG-CB 4.08Å; E75-P195 WeakPolarHBondContact O-CG 3.46Å |
| 196 | F | 98.7 | Very high | 97.8 | Very high | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | trans | -141.9 | 167.6 | 179.8 | 69.9 | -83.5 | 0 | 0 | 0 | 110.6 | P72 L88 A173 H176 I177 V193 P194 L198 L201 | P72-F196 WeakPolarHBondContact CD-O 3.24Å; P72-F196 VanDerWaalsContact CG-O 3.23Å; P72-F196 WeakPolarHBondContact CG-O 3.32Å; L88-F196 HydrophobicContact CD2-CE1 3.99Å; L88-F196 HydrophobicContact CD2-CZ 4.35Å; A173-F196 WeakPolarHBondContact O-CE2 3.44Å; H176-F196 HydrophobicContact CB-CB 4.25Å; H176-F196 HydrophobicContact CB-CD1 3.66Å; H176-F196 HydrophobicContact CB-CD2 3.78Å; H176-F196 HydrophobicContact CB-CE1 3.87Å; H176-F196 HydrophobicContact CB-CE2 3.97Å; H176-F196 HydrophobicContact CB-CG 3.62Å; H176-F196 HydrophobicContact CB-CZ 4.02Å; H176-F196 AromaticContact CD2-CD2 3.87Å; H176-F196 AromaticContact CD2-CG 3.96Å; H176-F196 AromaticContact CG-CD2 3.85Å; H176-F196 AromaticContact CG-CG 3.6Å; H176-F196 AromaticContact ND1-CG 3.95Å; I177-F196 HydrophobicContact CD1-CZ 4.05Å; I177-F196 HydrophobicContact CG1-CE1 4.25Å; I177-F196 HydrophobicContact CG1-CZ 3.8Å; V193-F196 HydrophobicContact CG1-CD1 4.22Å; V193-F196 HydrophobicContact CG1-CE1 4.19Å; P194-F196 PolarHBondContact O-N 3.26Å; F196-L198 HydrophobicContact CD2-CD2 4.39Å; F196-L198 HydrophobicContact CE1-CD2 3.99Å; F196-L198 HydrophobicContact CE2-CD2 3.85Å; F196-L198 HydrophobicContact CZ-CD2 3.62Å; F196-L198 PolarHBondContact O-N 2.99Å; F196-L201 HydrophobicContact CE2-CD1 3.99Å; F196-L201 HydrophobicContact CE2-CD2 4.18Å; F196-L201 HydrophobicContact CE2-CG 4.09Å; F196-L201 HydrophobicContact CZ-CD1 4.11Å | ||
| 197 | N | 98.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | trans | -71.4 | 97.6 | -177.1 | -174.8 | -2.4 | 0 | 0 | 0 | 111.6 | D70 R199 E200 | D70-N197 WeakPolarHBondContact CA-OD1 3.48Å; N197-R199 PolarHBondContact O-N 3.47Å; N197-R199 WeakPolarHBondContact OD1-CB 3.47Å; N197-R199 PolarHBondContact OD1-N 2.95Å; N197-E200 HydrophobicContact CB-CG 4.33Å; N197-E200 WeakPolarHBondContact ND2-CG 3.45Å; N197-E200 PolarHBondContact ND2-OE1 3.5Å; N197-E200 PolarHBondContact O-N 3.33Å | ||
| 198 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -65.4 | -20.8 | 177.4 | -55.1 | 178.4 | 0 | 0 | 0 | 112.5 | Y69 P72 L90 L94 L108 F196 E200 L201 | Y69-L198 HydrophobicContact CD1-CB 3.83Å; Y69-L198 HydrophobicContact CG-CB 4.23Å; Y69-L198 WeakPolarHBondContact O-CB 3.18Å; Y69-L198 PolarHBondContact O-N 3.35Å; P72-L198 HydrophobicContact CB-CD1 3.75Å; P72-L198 HydrophobicContact CB-CG 4.22Å; P72-L198 HydrophobicContact CG-CD1 4.12Å; P72-L198 HydrophobicContact CG-CG 4.03Å; L90-L198 HydrophobicContact CD1-CD1 4.33Å; L90-L198 HydrophobicContact CD2-CD1 3.63Å; L90-L198 HydrophobicContact CD2-CD2 4.44Å; L94-L198 HydrophobicContact CD1-CD1 3.87Å; L94-L198 HydrophobicContact CD2-CD1 4.3Å; L108-L198 HydrophobicContact CD2-CD2 4.22Å; F196-L198 HydrophobicContact CD2-CD2 4.39Å; F196-L198 HydrophobicContact CE1-CD2 3.99Å; F196-L198 HydrophobicContact CE2-CD2 3.85Å; F196-L198 HydrophobicContact CZ-CD2 3.62Å; F196-L198 PolarHBondContact O-N 2.99Å; L198-E200 PolarHBondContact O-N 2.93Å; L198-L201 HydrophobicContact CD2-CD1 4.08Å; L198-L201 WeakPolarHBondContact O-CB 3.25Å; L198-L201 PolarHBondContact O-N 3.44Å; L198-L201 VanDerWaalsContact O-N 3.16Å |
| 199 | R | 98.1 | Very high | 97.7 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -64.6 | -27.4 | 177 | -162.6 | -175.6 | 177.1 | 94.9 | 6.1 | 111.7 | N197 L201 L202 | N197-R199 PolarHBondContact O-N 3.47Å; N197-R199 WeakPolarHBondContact OD1-CB 3.47Å; N197-R199 PolarHBondContact OD1-N 2.95Å; R199-L201 VanDerWaalsContact C-N 3.27Å; R199-L201 PolarHBondContact O-N 3.32Å; R199-L202 HydrophobicContact CG-CD1 4.4Å; R199-L202 WeakPolarHBondContact O-CB 3.34Å; R199-L202 PolarHBondContact O-N 3.39Å |
| 200 | E | 98.3 | Very high | 97.7 | Very high | 109 Ų | 109 | 47 Ų | 47 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -78.6 | -7.7 | 177.9 | -66.5 | 172 | -145.2 | 0 | 0 | 113.5 | A173 N197 L198 L202 | A173-E200 VanDerWaalsContact CB-C 3.49Å; A173-E200 HydrophobicContact CB-CB 3.47Å; A173-E200 VanDerWaalsContact CB-CB 3.47Å; A173-E200 WeakPolarHBondContact CB-O 3.36Å; N197-E200 HydrophobicContact CB-CG 4.33Å; N197-E200 WeakPolarHBondContact ND2-CG 3.45Å; N197-E200 PolarHBondContact ND2-OE1 3.5Å; N197-E200 PolarHBondContact O-N 3.33Å; L198-E200 PolarHBondContact O-N 2.93Å; E200-L202 VanDerWaalsContact C-N 3.34Å |
| 201 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -76.5 | -25.2 | 165.7 | -60.3 | 174.3 | 0 | 0 | 0 | 111.9 | L108 L134 A173 Y174 I177 F196 L198 R199 S234 | L108-L201 HydrophobicContact CD2-CD1 3.72Å; L134-L201 HydrophobicContact CD2-CB 3.79Å; L134-L201 HydrophobicContact CD2-CD1 4.29Å; A173-L201 HydrophobicContact CB-CD2 3.89Å; A173-L201 HydrophobicContact CB-CG 4.36Å; Y174-L201 HydrophobicContact CD1-CD2 4.2Å; Y174-L201 HydrophobicContact CD2-CD2 3.68Å; Y174-L201 HydrophobicContact CE1-CD2 4.34Å; Y174-L201 HydrophobicContact CE2-CB 4.33Å; Y174-L201 HydrophobicContact CE2-CD2 3.85Å; Y174-L201 HydrophobicContact CG-CD2 3.89Å; Y174-L201 PolarHBondContact OH-O 3.22Å; I177-L201 HydrophobicContact CD1-CD1 4.26Å; I177-L201 HydrophobicContact CD1-CD2 4.47Å; F196-L201 HydrophobicContact CE2-CD1 3.99Å; F196-L201 HydrophobicContact CE2-CD2 4.18Å; F196-L201 HydrophobicContact CE2-CG 4.09Å; F196-L201 HydrophobicContact CZ-CD1 4.11Å; L198-L201 HydrophobicContact CD2-CD1 4.08Å; L198-L201 WeakPolarHBondContact O-CB 3.25Å; L198-L201 PolarHBondContact O-N 3.44Å; L198-L201 VanDerWaalsContact O-N 3.16Å; R199-L201 VanDerWaalsContact C-N 3.27Å; R199-L201 PolarHBondContact O-N 3.32Å; L201-S234 PolarHBondContact O-OG 2.89Å |
| 202 | L | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -78.4 | 153 | -178.6 | -53.3 | 178.7 | 0 | 0 | 0 | 111.1 | P66 Y69 I136 L160 I162 R199 E200 L206 F230 | P66-L202 HydrophobicContact CB-CD1 4.45Å; P66-L202 HydrophobicContact CG-CD1 4.06Å; Y69-L202 HydrophobicContact CD1-CD1 4.09Å; Y69-L202 HydrophobicContact CE1-CD1 4.11Å; Y69-L202 HydrophobicContact CE1-CD2 4.46Å; I136-L202 HydrophobicContact CD1-CD2 3.79Å; L160-L202 HydrophobicContact CD1-CD2 4.38Å; I162-L202 HydrophobicContact CD1-CD2 3.94Å; I162-L202 HydrophobicContact CG1-CD2 4.02Å; R199-L202 HydrophobicContact CG-CD1 4.4Å; R199-L202 WeakPolarHBondContact O-CB 3.34Å; R199-L202 PolarHBondContact O-N 3.39Å; E200-L202 VanDerWaalsContact C-N 3.34Å; L202-L206 HydrophobicContact CB-CD2 3.7Å; L202-L206 HydrophobicContact CD1-CD1 4.05Å; L202-L206 HydrophobicContact CD1-CD2 4.2Å; L202-F230 HydrophobicContact CD2-CE2 4.31Å |
| 203 | P | 97.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | trans | -73.1 | 161.9 | -179.4 | 31.1 | -35.9 | 0 | 0 | 0 | 112.3 | Q205 L206 F230 R232 | P203-Q205 VanDerWaalsContact C-N 3.26Å; P203-Q205 PolarHBondContact O-N 3.07Å; P203-Q205 VanDerWaalsContact O-N 3.1Å; P203-L206 HydrophobicContact CG-CD2 4.31Å; P203-L206 WeakPolarHBondContact O-CD2 3.13Å; P203-F230 HydrophobicContact CG-CB 3.63Å; P203-F230 HydrophobicContact CG-CD1 4.15Å; P203-F230 HydrophobicContact CG-CD2 4.1Å; P203-F230 HydrophobicContact CG-CG 3.7Å; P203-R232 HydrophobicContact CB-CB 3.77Å; P203-R232 VanDerWaalsContact CB-O 3.31Å; P203-R232 WeakPolarHBondContact CB-O 3.48Å; P203-R232 HydrophobicContact CG-CB 4.36Å; P203-R232 WeakPolarHBondContact CG-O 3.22Å | ||
| 204 | P | 91.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 42.3 Ų | 42.3 | 77% | 0.766 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -71.2 | -8 | -168.7 | 27.2 | -36.9 | 0 | 0 | 0 | 116.2 | ||
| 205 | Q | 93.8 | Very high | 97.8 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | trans | -132 | 95.4 | 177.9 | -60.6 | -177.3 | -31.8 | 0 | 0 | 109 | P203 E207 Q208 R232 | P203-Q205 VanDerWaalsContact C-N 3.26Å; P203-Q205 PolarHBondContact O-N 3.07Å; P203-Q205 VanDerWaalsContact O-N 3.1Å; Q205-E207 VanDerWaalsContact C-OE2 3.22Å; Q205-E207 WeakPolarHBondContact CA-OE2 3.25Å; Q205-E207 WeakPolarHBondContact CB-OE2 3.46Å; Q205-E207 PolarHBondContact O-N 3.48Å; Q205-Q208 VanDerWaalsContact OE1-OE1 3.12Å; Q205-R232 HydrophobicContact CB-CG 3.85Å; Q205-R232 HydrophobicContact CG-CG 4.35Å | ||
| 206 | L | 96.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.4 | -177.6 | -54.6 | -175.1 | 0 | 0 | 0 | 112.6 | P66 L202 P203 Q208 Y209 F230 | P66-L206 HydrophobicContact CG-CD1 4.24Å; L202-L206 HydrophobicContact CB-CD2 3.7Å; L202-L206 HydrophobicContact CD1-CD1 4.05Å; L202-L206 HydrophobicContact CD1-CD2 4.2Å; P203-L206 HydrophobicContact CG-CD2 4.31Å; P203-L206 WeakPolarHBondContact O-CD2 3.13Å; L206-Q208 VanDerWaalsContact C-N 3.32Å; L206-Y209 WeakPolarHBondContact O-CD1 2.96Å; L206-F230 HydrophobicContact CB-CE1 4.01Å; L206-F230 HydrophobicContact CD2-CD1 4.25Å; L206-F230 HydrophobicContact CD2-CE1 3.7Å; L206-F230 HydrophobicContact CD2-CZ 3.95Å; L206-F230 HydrophobicContact CG-CE1 4.44Å |
| 207 | E | 96 | Very high | 97.8 | Very high | 111 Ų | 111 | 38 Ų | 38 | 52% | 0.519 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -14.5 | -178.1 | -43 | 69.5 | -146 | 0 | 0 | 111.2 | Q205 S277 | Q205-E207 VanDerWaalsContact C-OE2 3.22Å; Q205-E207 WeakPolarHBondContact CA-OE2 3.25Å; Q205-E207 WeakPolarHBondContact CB-OE2 3.46Å; Q205-E207 PolarHBondContact O-N 3.48Å; E207-S277 PolarHBondContact O-OG 2.9Å |
| 208 | Q | 97.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | trans | -108.7 | 94.2 | -179.7 | -59.8 | -169.5 | -29.4 | 0 | 0 | 110.3 | Q205 L206 Y231 R232 F278 | Q205-Q208 VanDerWaalsContact OE1-OE1 3.12Å; L206-Q208 VanDerWaalsContact C-N 3.32Å; Q208-Y231 HydrophobicContact CB-CD1 4.31Å; Q208-Y231 WeakPolarHBondContact O-CB 3.27Å; Q208-Y231 PolarHBondContact O-N 3.25Å; Q208-R232 VanDerWaalsContact OE1-NE 3.08Å; Q208-F278 HydrophobicContact CB-CD1 3.84Å; Q208-F278 HydrophobicContact CB-CD2 4.48Å; Q208-F278 HydrophobicContact CB-CE1 4.12Å; Q208-F278 HydrophobicContact CB-CG 4.05Å; Q208-F278 HydrophobicContact CG-CB 4.12Å; Q208-F278 HydrophobicContact CG-CD1 4.29Å; Q208-F278 HydrophobicContact CG-CD2 4.3Å; Q208-F278 HydrophobicContact CG-CG 3.98Å | ||
| 209 | Y | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 162.9 | -179.6 | 67.9 | -101.3 | 0 | 0 | 0 | 112.3 | L61 P62 L206 R211 T228 V229 A276 S277 | L61-Y209 HydrophobicContact CD1-CE2 4.06Å; L61-Y209 HydrophobicContact CD2-CE2 4.29Å; P62-Y209 PolarHBondContact O-OH 3.23Å; L206-Y209 WeakPolarHBondContact O-CD1 2.96Å; Y209-R211 HydrophobicContact CD2-CB 4.49Å; Y209-R211 HydrophobicContact CE2-CB 4.22Å; Y209-R211 VanDerWaalsContact CE2-NH2 3.29Å; Y209-T228 HydrophobicContact CD1-CG2 4.49Å; Y209-T228 HydrophobicContact CD2-CG2 3.65Å; Y209-T228 HydrophobicContact CE2-CG2 4.27Å; Y209-T228 HydrophobicContact CG-CG2 3.76Å; Y209-V229 CarbonylContact C-O 3.59Å; Y209-V229 WeakPolarHBondContact CA-O 3.18Å; Y209-A276 WeakPolarHBondContact O-CA 3.31Å; Y209-S277 WeakPolarHBondContact CD1-OG 3.35Å; Y209-S277 PolarHBondContact N-OG 3.49Å; Y209-S277 PolarHBondContact O-N 2.81Å; Y209-S277 PolarHBondContact O-OG 3.07Å |
| 210 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.4 | 170.7 | -55 | -68.5 | 0 | 0 | 0 | 110.7 | I50 T52 V55 I125 T228 V229 Y231 V274 F275 A276 F278 | I50-F210 HydrophobicContact CD1-CB 3.96Å; I50-F210 HydrophobicContact CD1-CD2 3.81Å; I50-F210 HydrophobicContact CD1-CG 4.1Å; I50-F210 HydrophobicContact CG2-CB 4.45Å; I50-F210 HydrophobicContact CG2-CD1 3.97Å; I50-F210 HydrophobicContact CG2-CD2 3.83Å; I50-F210 HydrophobicContact CG2-CE1 4.13Å; I50-F210 HydrophobicContact CG2-CE2 3.98Å; I50-F210 HydrophobicContact CG2-CG 3.82Å; I50-F210 HydrophobicContact CG2-CZ 4.13Å; T52-F210 HydrophobicContact CG2-CZ 4.01Å; V55-F210 HydrophobicContact CG1-CD1 4Å; V55-F210 HydrophobicContact CG1-CE1 4.01Å; V55-F210 HydrophobicContact CG2-CE1 4.24Å; I125-F210 HydrophobicContact CD1-CE2 4.12Å; I125-F210 HydrophobicContact CG1-CE2 4.39Å; F210-T228 CarbonylContact O-C 3.38Å; F210-T228 VanDerWaalsContact O-CA 3.3Å; F210-T228 WeakPolarHBondContact O-CA 3.49Å; F210-V229 PolarHBondContact N-O 3.11Å; F210-V229 PolarHBondContact O-N 2.93Å; F210-Y231 AromaticContact CE2-CD2 3.87Å; F210-Y231 HydrophobicContact CE2-CD2 3.87Å; F210-Y231 HydrophobicContact CE2-CG 4.41Å; F210-Y231 AromaticContact CZ-CD2 3.8Å; F210-Y231 HydrophobicContact CZ-CD2 3.8Å; F210-Y231 HydrophobicContact CZ-CG 4.41Å; F210-V274 HydrophobicContact CB-CG1 3.91Å; F210-V274 HydrophobicContact CD1-CG1 4.45Å; F210-V274 HydrophobicContact CG-CG1 4.47Å; F210-F275 CarbonylContact C-O 3.6Å; F210-F275 WeakPolarHBondContact CA-O 3.48Å; F210-A276 HydrophobicContact CD1-CB 3.84Å; F210-A276 HydrophobicContact CE1-CB 3.95Å; F210-F278 HydrophobicContact CD1-CE1 4.41Å; F210-F278 AromaticContact CE1-CE1 3.85Å; F210-F278 HydrophobicContact CE1-CE1 3.85Å; F210-F278 AromaticContact CE1-CZ 3.93Å; F210-F278 HydrophobicContact CE1-CZ 3.93Å; F210-F278 HydrophobicContact CZ-CE1 4.01Å; F210-F278 AromaticContact CZ-CZ 3.8Å; F210-F278 HydrophobicContact CZ-CZ 3.8Å |
| 211 | R | 98.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.9 | -177.8 | 176.7 | 66 | 51.1 | 69.2 | 1.5 | 110.1 | L61 Y209 L226 W227 T228 F275 | L61-R211 HydrophobicContact CD1-CB 4.21Å; L61-R211 HydrophobicContact CD2-CB 4.2Å; L61-R211 HydrophobicContact CD2-CG 4.1Å; Y209-R211 HydrophobicContact CD2-CB 4.49Å; Y209-R211 HydrophobicContact CE2-CB 4.22Å; Y209-R211 VanDerWaalsContact CE2-NH2 3.29Å; R211-L226 HydrophobicContact CG-CD1 4.48Å; R211-W227 WeakPolarHBondContact CA-O 3.35Å; R211-W227 VanDerWaalsContact CD-O 3.31Å; R211-W227 WeakPolarHBondContact CD-O 3.48Å; R211-W227 PolarHBondContact NE-O 2.91Å; R211-T228 PolarHBondContact NE-OG1 2.84Å; R211-T228 PolarHBondContact NH2-OG1 2.93Å; R211-F275 HydrophobicContact CB-CB 4.36Å; R211-F275 PolarHBondContact N-O 2.95Å; R211-F275 PolarHBondContact O-N 2.95Å |
| 212 | Y | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 162.3 | 175.4 | 80.2 | -82.8 | 0 | 0 | 0 | 112.6 | S46 I48 H123 W227 V229 | S46-Y212 WeakPolarHBondContact CB-OH 3.44Å; S46-Y212 WeakPolarHBondContact OG-CE2 3.33Å; S46-Y212 PolarHBondContact OG-OH 3.1Å; I48-Y212 HydrophobicContact CD1-CD1 3.9Å; I48-Y212 HydrophobicContact CD1-CD2 3.84Å; I48-Y212 HydrophobicContact CD1-CE1 3.84Å; I48-Y212 HydrophobicContact CD1-CE2 3.82Å; I48-Y212 HydrophobicContact CD1-CG 3.91Å; I48-Y212 HydrophobicContact CG1-CD1 4.49Å; I48-Y212 HydrophobicContact CG1-CE1 3.94Å; I48-Y212 HydrophobicContact CG1-CE2 4.09Å; I48-Y212 HydrophobicContact CG2-CE2 4.23Å; H123-Y212 AromaticContact NE2-CE1 3.66Å; H123-Y212 AromaticContact NE2-CZ 3.6Å; H123-Y212 PolarHBondContact NE2-OH 3.32Å; Y212-W227 HydrophobicContact CD1-CB 3.56Å; Y212-W227 HydrophobicContact CD1-CG 4.32Å; Y212-W227 HydrophobicContact CE1-CB 3.3Å; Y212-W227 HydrophobicContact CE1-CD2 4.39Å; Y212-W227 AromaticContact CE1-CG 3.63Å; Y212-W227 HydrophobicContact CE1-CG 3.63Å; Y212-W227 HydrophobicContact CE2-CB 4.44Å; Y212-W227 AromaticContact CE2-CD1 3.95Å; Y212-W227 HydrophobicContact CE2-CG 4.32Å; Y212-W227 HydrophobicContact CG-CB 4.24Å; Y212-W227 AromaticContact CZ-CD1 3.59Å; Y212-W227 AromaticContact CZ-CG 3.61Å; Y212-W227 PolarHBondContact N-O 3.23Å; Y212-W227 PolarHBondContact O-N 3.23Å; Y212-V229 HydrophobicContact CE1-CG2 4.25Å |
| 213 | N | 98.8 | Very high | 97.7 | Very high | 82 Ų | 82 | 34 Ų | 34 | 44% | 0.439 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.1 | 171.6 | -69.7 | -59.7 | 0 | 0 | 0 | 109.9 | Q155 R272 | Q155-N213 PolarHBondContact NE2-OD1 3.39Å; N213-R272 WeakPolarHBondContact O-CD 3.24Å; N213-R272 PolarHBondContact O-NH1 3.49Å; N213-R272 VanDerWaalsContact O-NH1 3.12Å |
| 214 | G | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | -157.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A44 S46 Q223 V225 | A44-G214 CarbonylContact O-C 3.52Å; A44-G214 VanDerWaalsContact O-CA 3.3Å; A44-G214 WeakPolarHBondContact O-CA 3.37Å; S46-G214 VanDerWaalsContact OG-CA 3.29Å; S46-G214 WeakPolarHBondContact OG-CA 3.49Å; G214-Q223 CarbonylContact O-C 3.07Å; G214-Q223 WeakPolarHBondContact O-CA 3.41Å; G214-V225 PolarHBondContact N-O 2.86Å; G214-V225 PolarHBondContact O-N 2.78Å |
| 215 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -123 | 173.4 | -176.8 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | Q45 S46 C221 Y222 V225 W227 | Q45-S215 WeakPolarHBondContact CA-OG 3.39Å; Q45-S215 PolarHBondContact OE1-OG 3.48Å; S46-S215 WeakPolarHBondContact CB-O 3.19Å; S46-S215 PolarHBondContact N-OG 2.9Å; S46-S215 PolarHBondContact OG-N 3.04Å; S215-C221 WeakPolarHBondContact CB-O 3.33Å; S215-Y222 CarbonylContact C-O 3.54Å; S215-Y222 WeakPolarHBondContact CA-O 3.43Å; S215-Y222 VanDerWaalsContact CB-O 3.3Å; S215-Y222 WeakPolarHBondContact CB-O 3.41Å; S215-V225 VanDerWaalsContact C-CG2 3.44Å; S215-W227 PolarHBondContact O-NE1 3.38Å | ||
| 216 | L | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 25.4 Ų | 25.4 | 19% | 0.194 | 13% | 0.127 | C | C | . | . | trans | -57.8 | 142.1 | 152 | -63.5 | 173.2 | 0 | 0 | 0 | 109.4 | L157 T218 Y222 V225 | L157-L216 HydrophobicContact CD1-CD2 3.68Å; L157-L216 HydrophobicContact CD1-CG 4.36Å; L216-T218 VanDerWaalsContact C-N 3.32Å; L216-Y222 HydrophobicContact CD1-CD2 4.18Å; L216-Y222 PolarHBondContact N-O 3Å; L216-V225 HydrophobicContact CD2-CG2 4.07Å; L216-V225 HydrophobicContact CG-CG2 4.32Å | ||
| 217 | T | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -89.4 | -0.8 | 178 | 57 | 0 | 0 | 0 | 0 | 113 | W33 P47 E122 H135 W227 R264 | W33-T217 VanDerWaalsContact CZ3-O 3.26Å; W33-T217 WeakPolarHBondContact CZ3-O 3.49Å; P47-T217 HydrophobicContact CB-CG2 4.45Å; E122-T217 WeakPolarHBondContact OE2-CB 3.37Å; E122-T217 WeakPolarHBondContact OE2-CG2 3.44Å; E122-T217 PolarHBondContact OE2-OG1 2.73Å; H135-T217 PolarHBondContact CE1-OG1 3.37Å; H135-T217 VanDerWaalsContact CE1-OG1 3.28Å; T217-W227 HydrophobicContact CG2-CH2 4.34Å; T217-W227 HydrophobicContact CG2-CZ2 3.89Å; T217-R264 WeakPolarHBondContact O-CD 3.41Å |
| 218 | T | 98.2 | Very high | 98.6 | Very high | 34 Ų | 34 | 19.7 Ų | 19.7 | 21% | 0.209 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -125.1 | 158 | 173.5 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | W22 Y24 L216 C221 | W22-T218 HydrophobicContact CH2-CG2 3.5Å; W22-T218 HydrophobicContact CZ2-CG2 3.99Å; W22-T218 HydrophobicContact CZ3-CG2 4.26Å; Y24-T218 WeakPolarHBondContact OH-CG2 3.4Å; L216-T218 VanDerWaalsContact C-N 3.32Å; T218-C221 WeakPolarHBondContact O-CA 3.24Å; T218-C221 PolarHBondContact O-N 2.95Å |
| 219 | P | 98.3 | Very high | 98.7 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 9% | 0.091 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 138.6 | 174 | -30.7 | 39.9 | 0 | 0 | 0 | 113.1 | W22 W33 Y37 | W22-P219 HydrophobicContact CB-CG 3.98Å; W22-P219 HydrophobicContact CD2-CB 4.5Å; W22-P219 HydrophobicContact CD2-CG 3.84Å; W22-P219 HydrophobicContact CE3-CG 4.31Å; W22-P219 HydrophobicContact CG-CB 4.1Å; W22-P219 HydrophobicContact CG-CG 3.66Å; W33-P219 HydrophobicContact CB-CG 4.36Å; W33-P219 HydrophobicContact CD2-CG 3.47Å; W33-P219 VanDerWaalsContact CD2-CG 3.47Å; W33-P219 HydrophobicContact CE3-CG 3.83Å; W33-P219 HydrophobicContact CG-CG 3.72Å; W33-P219 HydrophobicContact CZ2-CG 4.35Å; W33-P219 HydrophobicContact CZ3-CG 4.4Å; Y37-P219 HydrophobicContact CD1-CB 3.92Å; Y37-P219 HydrophobicContact CD2-CB 3.62Å; Y37-P219 HydrophobicContact CD2-CG 3.94Å; Y37-P219 HydrophobicContact CE1-CB 4Å; Y37-P219 HydrophobicContact CE2-CB 3.72Å; Y37-P219 HydrophobicContact CE2-CG 4.08Å; Y37-P219 HydrophobicContact CG-CB 3.72Å; Y37-P219 HydrophobicContact CG-CG 4.43Å |
| 220 | P | 97.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 17.5 Ų | 17.5 | 18% | 0.182 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -82.5 | 10.9 | 10.3 | -17 | 34.1 | 0 | 0 | 0 | 116.9 | Y37 E39 Y222 | Y37-P220 HydrophobicContact CD1-CB 4.14Å; Y37-P220 HydrophobicContact CD1-CG 4.49Å; E39-P220 WeakPolarHBondContact CB-O 3.24Å; P220-Y222 VanDerWaalsContact C-N 3.3Å; P220-Y222 HydrophobicContact CB-CD1 4.5Å; P220-Y222 HydrophobicContact CB-CD2 4.23Å; P220-Y222 HydrophobicContact CB-CE1 4.07Å; P220-Y222 HydrophobicContact CB-CE2 3.77Å; P220-Y222 HydrophobicContact CG-CD2 4.4Å; P220-Y222 HydrophobicContact CG-CE2 3.69Å; P220-Y222 PolarHBondContact O-N 3.48Å |
| 221 | C | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | 58 | 31 | 177.6 | -46.7 | 0 | 0 | 0 | 0 | 115.9 | C40 Q45 S215 T218 Q223 | C40-C221 VanDerWaalsContact CA-CB 3.47Å; C40-C221 VanDerWaalsContact CA-SG 3.56Å; C40-C221 HydrophobicContact CB-CB 3.71Å; C40-C221 WeakPolarHBondContact CB-SG 3.44Å; C40-C221 WeakPolarHBondContact SG-CB 3.47Å; C40-C221 CovalentContact SG-SG 2.03Å; C40-C221 PolarHBondContact SG-SG 3.04Å; Q45-C221 PolarHBondContact NE2-O 3.34Å; Q45-C221 VanDerWaalsContact OE1-CB 3.28Å; S215-C221 WeakPolarHBondContact CB-O 3.33Å; T218-C221 WeakPolarHBondContact O-CA 3.24Å; T218-C221 PolarHBondContact O-N 2.95Å; C221-Q223 PolarHBondContact O-N 3.41Å | ||
| 222 | Y | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 25 Ų | 25 | 26% | 0.255 | 12% | 0.119 | S | C | . | . | trans | -55.3 | 136.2 | 179.4 | -64 | -55.8 | 0 | 0 | 0 | 112.3 | E39 A151 Q152 S215 L216 P220 S224 | E39-Y222 HydrophobicContact CG-CD1 4.33Å; A151-Y222 WeakPolarHBondContact O-CB 3.43Å; A151-Y222 WeakPolarHBondContact O-CD2 3.3Å; Q152-Y222 HydrophobicContact CG-CD2 3.94Å; Q152-Y222 HydrophobicContact CG-CE1 4.21Å; Q152-Y222 HydrophobicContact CG-CE2 3.55Å; Q152-Y222 HydrophobicContact CG-CG 4.43Å; S215-Y222 CarbonylContact C-O 3.54Å; S215-Y222 WeakPolarHBondContact CA-O 3.43Å; S215-Y222 VanDerWaalsContact CB-O 3.3Å; S215-Y222 WeakPolarHBondContact CB-O 3.41Å; L216-Y222 HydrophobicContact CD1-CD2 4.18Å; L216-Y222 PolarHBondContact N-O 3Å; P220-Y222 VanDerWaalsContact C-N 3.3Å; P220-Y222 HydrophobicContact CB-CD1 4.5Å; P220-Y222 HydrophobicContact CB-CD2 4.23Å; P220-Y222 HydrophobicContact CB-CE1 4.07Å; P220-Y222 HydrophobicContact CB-CE2 3.77Å; P220-Y222 HydrophobicContact CG-CD2 4.4Å; P220-Y222 HydrophobicContact CG-CE2 3.69Å; P220-Y222 PolarHBondContact O-N 3.48Å; Y222-S224 PolarHBondContact O-N 3.21Å; Y222-S224 PolarHBondContact O-OG 3.41Å | ||
| 223 | Q | 98.7 | Very high | 98.6 | Very high | 58 Ų | 58 | 28 Ų | 28 | 27% | 0.271 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -82.6 | 55.1 | -179.9 | -54.3 | -172.7 | 133.2 | 0 | 0 | 111.4 | N42 A44 G214 C221 | N42-Q223 PolarHBondContact ND2-NE2 2.87Å; A44-Q223 VanDerWaalsContact CA-OE1 3.25Å; G214-Q223 CarbonylContact O-C 3.07Å; G214-Q223 WeakPolarHBondContact O-CA 3.41Å; C221-Q223 PolarHBondContact O-N 3.41Å |
| 224 | S | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | trans | -110 | -1.5 | -170.7 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | A151 R153 Q155 G156 L157 Y222 | A151-S224 WeakPolarHBondContact O-CB 3.33Å; A151-S224 PolarHBondContact O-OG 3.39Å; R153-S224 VanDerWaalsContact O-CA 3.26Å; R153-S224 WeakPolarHBondContact O-CA 3.49Å; R153-S224 WeakPolarHBondContact O-CB 3.5Å; Q155-S224 CarbonylContact C-O 3.59Å; Q155-S224 WeakPolarHBondContact CA-O 3.2Å; Q155-S224 PolarHBondContact N-O 2.73Å; G156-S224 PolarHBondContact N-O 3.27Å; L157-S224 PolarHBondContact N-O 1.91Å; Y222-S224 PolarHBondContact O-N 3.21Å; Y222-S224 PolarHBondContact O-OG 3.41Å | ||
| 225 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.3 | -165.7 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | L157 V159 G214 S215 L216 W227 | L157-V225 HydrophobicContact CB-CG2 4.06Å; L157-V225 HydrophobicContact CD1-CG2 4.08Å; V159-V225 HydrophobicContact CB-CG1 3.81Å; V159-V225 HydrophobicContact CG2-CG1 3.54Å; V159-V225 HydrophobicContact CG2-CG2 4.45Å; G214-V225 PolarHBondContact N-O 2.86Å; G214-V225 PolarHBondContact O-N 2.78Å; S215-V225 VanDerWaalsContact C-CG2 3.44Å; L216-V225 HydrophobicContact CD2-CG2 4.07Å; L216-V225 HydrophobicContact CG-CG2 4.32Å; V225-W227 VanDerWaalsContact CG1-CD1 3.47Å; V225-W227 HydrophobicContact CG1-CD2 3.97Å; V225-W227 HydrophobicContact CG1-CG 3.87Å; V225-W227 HydrophobicContact CG1-CZ2 4.23Å; V225-W227 VanDerWaalsContact CG1-NE1 3.33Å; V225-W227 PolarHBondContact O-N 3.36Å |
| 226 | L | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.047 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 100.2 | 162 | -171.9 | 63.2 | 0 | 0 | 0 | 109 | L99 P100 Q155 L157 A158 V159 R211 | L99-L226 HydrophobicContact CD2-CD2 4.12Å; P100-L226 HydrophobicContact CG-CD2 4.38Å; Q155-L226 HydrophobicContact CG-CB 4.46Å; L157-L226 PolarHBondContact O-N 2.75Å; A158-L226 WeakPolarHBondContact CA-O 3.37Å; V159-L226 PolarHBondContact N-O 3.48Å; R211-L226 HydrophobicContact CG-CD1 4.48Å |
| 227 | W | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.4 | -176 | -83 | 95.1 | 0 | 0 | 0 | 112.2 | S46 H123 H135 V159 R211 Y212 S215 T217 V225 V229 | S46-W227 PolarHBondContact OG-NE1 3.38Å; H123-W227 AromaticContact CE1-CD2 3.92Å; H123-W227 AromaticContact CE1-CE3 3.55Å; H123-W227 AromaticContact CE1-CH2 3.91Å; H123-W227 AromaticContact CE1-CZ3 3.54Å; H135-W227 AromaticContact CD2-CH2 3.96Å; H135-W227 AromaticContact CD2-CZ3 3.85Å; H135-W227 AromaticContact CE1-CH2 3.6Å; H135-W227 AromaticContact ND1-CH2 3.68Å; H135-W227 AromaticContact NE2-CH2 3.91Å; H135-W227 AromaticContact NE2-CZ3 3.8Å; V159-W227 HydrophobicContact CB-CD2 4.35Å; V159-W227 HydrophobicContact CB-CE3 4.01Å; V159-W227 HydrophobicContact CB-CH2 3.92Å; V159-W227 HydrophobicContact CB-CZ2 4.27Å; V159-W227 HydrophobicContact CB-CZ3 3.8Å; V159-W227 HydrophobicContact CG1-CE3 4.08Å; V159-W227 HydrophobicContact CG1-CH2 3.49Å; V159-W227 VanDerWaalsContact CG1-CH2 3.49Å; V159-W227 HydrophobicContact CG1-CZ2 4.28Å; V159-W227 HydrophobicContact CG1-CZ3 3.39Å; R211-W227 WeakPolarHBondContact CA-O 3.35Å; R211-W227 VanDerWaalsContact CD-O 3.31Å; R211-W227 WeakPolarHBondContact CD-O 3.48Å; R211-W227 PolarHBondContact NE-O 2.91Å; Y212-W227 HydrophobicContact CD1-CB 3.56Å; Y212-W227 HydrophobicContact CD1-CG 4.32Å; Y212-W227 HydrophobicContact CE1-CB 3.3Å; Y212-W227 HydrophobicContact CE1-CD2 4.39Å; Y212-W227 AromaticContact CE1-CG 3.63Å; Y212-W227 HydrophobicContact CE1-CG 3.63Å; Y212-W227 HydrophobicContact CE2-CB 4.44Å; Y212-W227 AromaticContact CE2-CD1 3.95Å; Y212-W227 HydrophobicContact CE2-CG 4.32Å; Y212-W227 HydrophobicContact CG-CB 4.24Å; Y212-W227 AromaticContact CZ-CD1 3.59Å; Y212-W227 AromaticContact CZ-CG 3.61Å; Y212-W227 PolarHBondContact N-O 3.23Å; Y212-W227 PolarHBondContact O-N 3.23Å; S215-W227 PolarHBondContact O-NE1 3.38Å; T217-W227 HydrophobicContact CG2-CH2 4.34Å; T217-W227 HydrophobicContact CG2-CZ2 3.89Å; V225-W227 VanDerWaalsContact CG1-CD1 3.47Å; V225-W227 HydrophobicContact CG1-CD2 3.97Å; V225-W227 HydrophobicContact CG1-CG 3.87Å; V225-W227 HydrophobicContact CG1-CZ2 4.23Å; V225-W227 VanDerWaalsContact CG1-NE1 3.33Å; V225-W227 PolarHBondContact O-N 3.36Å; W227-V229 HydrophobicContact CE3-CG2 4.24Å |
| 228 | T | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 108.5 | 164.3 | -59.1 | 0 | 0 | 0 | 0 | 108.6 | V159 L160 G161 Y209 F210 R211 | V159-T228 PolarHBondContact O-N 2.84Å; L160-T228 CarbonylContact C-O 3.57Å; L160-T228 WeakPolarHBondContact CA-O 3.46Å; L160-T228 HydrophobicContact CD2-CG2 4.12Å; G161-T228 PolarHBondContact N-O 3.48Å; Y209-T228 HydrophobicContact CD1-CG2 4.49Å; Y209-T228 HydrophobicContact CD2-CG2 3.65Å; Y209-T228 HydrophobicContact CE2-CG2 4.27Å; Y209-T228 HydrophobicContact CG-CG2 3.76Å; F210-T228 CarbonylContact O-C 3.38Å; F210-T228 VanDerWaalsContact O-CA 3.3Å; F210-T228 WeakPolarHBondContact O-CA 3.49Å; R211-T228 PolarHBondContact NE-OG1 2.84Å; R211-T228 PolarHBondContact NH2-OG1 2.93Å |
| 229 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.5 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | I50 H123 G161 L163 Y209 F210 Y212 W227 | I50-V229 HydrophobicContact CD1-CB 3.9Å; I50-V229 HydrophobicContact CD1-CG1 3.98Å; I50-V229 HydrophobicContact CD1-CG2 4.17Å; H123-V229 HydrophobicContact CB-CG1 4.4Å; G161-V229 WeakPolarHBondContact O-CA 3.45Å; L163-V229 HydrophobicContact CD1-CG1 3.45Å; L163-V229 VanDerWaalsContact CD1-CG1 3.45Å; Y209-V229 CarbonylContact C-O 3.59Å; Y209-V229 WeakPolarHBondContact CA-O 3.18Å; F210-V229 PolarHBondContact N-O 3.11Å; F210-V229 PolarHBondContact O-N 2.93Å; Y212-V229 HydrophobicContact CE1-CG2 4.25Å; W227-V229 HydrophobicContact CE3-CG2 4.24Å |
| 230 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 140.6 | -179.1 | -67 | -78.8 | 0 | 0 | 0 | 111.6 | L64 L160 G161 I162 L202 P203 L206 | L64-F230 HydrophobicContact CD2-CE1 4.28Å; L64-F230 HydrophobicContact CD2-CZ 3.68Å; L160-F230 HydrophobicContact CB-CE2 4.19Å; L160-F230 HydrophobicContact CD1-CE2 4.32Å; L160-F230 HydrophobicContact CD1-CZ 4.46Å; G161-F230 PolarHBondContact O-N 3.44Å; I162-F230 HydrophobicContact CD1-CD2 4.15Å; I162-F230 HydrophobicContact CD1-CE2 4.08Å; I162-F230 HydrophobicContact CG1-CD2 3.83Å; I162-F230 HydrophobicContact CG1-CE2 4.1Å; L202-F230 HydrophobicContact CD2-CE2 4.31Å; P203-F230 HydrophobicContact CG-CB 3.63Å; P203-F230 HydrophobicContact CG-CD1 4.15Å; P203-F230 HydrophobicContact CG-CD2 4.1Å; P203-F230 HydrophobicContact CG-CG 3.7Å; L206-F230 HydrophobicContact CB-CE1 4.01Å; L206-F230 HydrophobicContact CD2-CD1 4.25Å; L206-F230 HydrophobicContact CD2-CE1 3.7Å; L206-F230 HydrophobicContact CD2-CZ 3.95Å; L206-F230 HydrophobicContact CG-CE1 4.44Å |
| 231 | Y | 98.3 | Very high | 98.7 | Very high | 77 Ų | 77 | 34.2 Ų | 34.2 | 30% | 0.302 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -74.2 | -32.8 | 175.5 | 174.9 | -114.1 | 0 | 0 | 0 | 112 | I125 Q208 F210 F278 | I125-Y231 HydrophobicContact CD1-CD2 4.48Å; Q208-Y231 HydrophobicContact CB-CD1 4.31Å; Q208-Y231 WeakPolarHBondContact O-CB 3.27Å; Q208-Y231 PolarHBondContact O-N 3.25Å; F210-Y231 AromaticContact CE2-CD2 3.87Å; F210-Y231 HydrophobicContact CE2-CD2 3.87Å; F210-Y231 HydrophobicContact CE2-CG 4.41Å; F210-Y231 AromaticContact CZ-CD2 3.8Å; F210-Y231 HydrophobicContact CZ-CD2 3.8Å; F210-Y231 HydrophobicContact CZ-CG 4.41Å; Y231-F278 AromaticContact CD1-CE2 3.95Å; Y231-F278 HydrophobicContact CD1-CE2 3.95Å; Y231-F278 AromaticContact CD1-CZ 3.78Å; Y231-F278 HydrophobicContact CD1-CZ 3.78Å; Y231-F278 AromaticContact CD2-CZ 3.85Å; Y231-F278 HydrophobicContact CD2-CZ 3.85Å; Y231-F278 HydrophobicContact CE1-CE2 4.24Å; Y231-F278 HydrophobicContact CE1-CZ 4.39Å; Y231-F278 HydrophobicContact CE2-CZ 4.46Å; Y231-F278 HydrophobicContact CG-CE1 4.15Å; Y231-F278 HydrophobicContact CG-CE2 4.12Å; Y231-F278 AromaticContact CG-CZ 3.47Å; Y231-F278 HydrophobicContact CG-CZ 3.47Å; Y231-F278 VanDerWaalsContact CG-CZ 3.47Å |
| 232 | R | 98.4 | Very high | 98.7 | Very high | 100 Ų | 100 | 37.6 Ų | 37.6 | 38% | 0.377 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -83.3 | 143 | 171.9 | -63.5 | -48.1 | -173.6 | 166.8 | 4.7 | 110.8 | P203 Q205 Q208 | P203-R232 HydrophobicContact CB-CB 3.77Å; P203-R232 VanDerWaalsContact CB-O 3.31Å; P203-R232 WeakPolarHBondContact CB-O 3.48Å; P203-R232 HydrophobicContact CG-CB 4.36Å; P203-R232 WeakPolarHBondContact CG-O 3.22Å; Q205-R232 HydrophobicContact CB-CG 3.85Å; Q205-R232 HydrophobicContact CG-CG 4.35Å; Q208-R232 VanDerWaalsContact OE1-NE 3.08Å |
| 233 | R | 98.6 | Very high | 98.7 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -93.7 | 148.6 | 179.8 | -61.4 | 165.7 | -179.7 | 174.1 | -0.3 | 109.9 | E128 T130 L163 E165 | E128-R233 IonicContact OE2-NH2 3.48Å; E128-R233 PolarHBondContact OE2-NH2 3.46Å; T130-R233 HydrophobicContact CG2-CG 4.31Å; L163-R233 HydrophobicContact CB-CG 4.05Å; L163-R233 CarbonylContact O-C 3.58Å; L163-R233 WeakPolarHBondContact O-CA 3.18Å; L163-R233 WeakPolarHBondContact O-CB 3.3Å; E165-R233 VanDerWaalsContact CD-CD 3.5Å; E165-R233 HydrophobicContact CG-CB 4.11Å; E165-R233 WeakPolarHBondContact OE2-CD 3.38Å; E165-R233 IonicContact OE2-CZ 2.66Å; E165-R233 IonicContact OE2-NE 3.68Å; E165-R233 IonicContact OE2-NH1 2.84Å; E165-R233 PolarHBondContact OE2-NH1 2.69Å |
| 234 | S | 98.7 | Very high | 98.7 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 155.7 | 162.6 | -75.6 | 0 | 0 | 0 | 0 | 109.4 | I162 L163 I164 E165 L201 | I162-S234 WeakPolarHBondContact CG2-OG 3.37Å; L163-S234 PolarHBondContact O-N 2.93Å; I164-S234 VanDerWaalsContact CA-O 3.32Å; I164-S234 WeakPolarHBondContact CA-O 3.31Å; E165-S234 PolarHBondContact N-O 3.41Å; L201-S234 PolarHBondContact O-OG 2.89Å |
| 235 | Q | 98.7 | Very high | 98.7 | Very high | 91 Ų | 91 | 35.3 Ų | 35.3 | 43% | 0.425 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.4 | -177.9 | -67.4 | -176.1 | -2.9 | 0 | 0 | 110.9 | E165 N171 | E165-Q235 HydrophobicContact CG-CG 3.69Å; E165-Q235 WeakPolarHBondContact O-CA 3.43Å; E165-Q235 PolarHBondContact OE1-NE2 2.2Å; N171-Q235 WeakPolarHBondContact CB-O 3.39Å; N171-Q235 PolarHBondContact ND2-O 2.96Å |
| 236 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 158.3 | 169.9 | 64.5 | 175.9 | 0 | 0 | 0 | 109.7 | I164 E165 V166 G167 N171 Y174 Q240 L241 | I164-I236 HydrophobicContact CG2-CB 4.44Å; I164-I236 HydrophobicContact CG2-CD1 3.98Å; I164-I236 HydrophobicContact CG2-CG1 3.81Å; I164-I236 HydrophobicContact CG2-CG2 3.99Å; E165-I236 PolarHBondContact O-N 3.49Å; E165-I236 VanDerWaalsContact O-N 3.1Å; V166-I236 CarbonylContact C-O 3.46Å; V166-I236 WeakPolarHBondContact CA-O 3.35Å; G167-I236 PolarHBondContact N-O 3.01Å; N171-I236 HydrophobicContact CB-CG2 4.27Å; Y174-I236 HydrophobicContact CD1-CG2 3.89Å; Y174-I236 HydrophobicContact CD2-CG2 3.86Å; Y174-I236 HydrophobicContact CE1-CG2 4.42Å; Y174-I236 HydrophobicContact CE2-CG2 4.38Å; Y174-I236 HydrophobicContact CG-CG2 3.57Å; I236-Q240 HydrophobicContact CB-CB 4.04Å; I236-Q240 HydrophobicContact CD1-CB 4.33Å; I236-Q240 HydrophobicContact CG1-CB 4.44Å; I236-L241 HydrophobicContact CD1-CB 4.08Å; I236-L241 HydrophobicContact CD1-CD1 4.42Å |
| 237 | S | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -72.5 | 162.5 | 176 | 82.5 | 0 | 0 | 0 | 0 | 112.2 | E239 Q240 L241 | S237-E239 VanDerWaalsContact C-N 3.27Å; S237-E239 VanDerWaalsContact CB-OE2 3.25Å; S237-E239 WeakPolarHBondContact CB-OE2 3.22Å; S237-E239 PolarHBondContact O-N 2.82Å; S237-E239 PolarHBondContact OG-OE2 2.91Å; S237-Q240 WeakPolarHBondContact O-CB 3.36Å; S237-Q240 PolarHBondContact O-N 3.28Å; S237-Q240 VanDerWaalsContact O-N 3.11Å; S237-Q240 PolarHBondContact OG-N 2.75Å; S237-L241 PolarHBondContact O-N 2.68Å | ||
| 238 | M | 98.4 | Very high | 98.6 | Very high | 87 Ų | 87 | 38.1 Ų | 38.1 | 43% | 0.429 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 177 | -174.8 | 63.2 | -171.9 | 0 | 0 | 111.6 | V166 Q240 L241 E242 | V166-M238 HydrophobicContact CG1-CB 4.08Å; V166-M238 HydrophobicContact CG1-SD 4.46Å; V166-M238 HydrophobicContact CG2-SD 4.44Å; M238-Q240 VanDerWaalsContact C-N 3.29Å; M238-Q240 PolarHBondContact O-N 2.74Å; M238-L241 PolarHBondContact O-N 3.11Å; M238-L241 HydrophobicContact SD-CD2 4.28Å; M238-E242 HydrophobicContact CE-CG 3.99Å; M238-E242 WeakPolarHBondContact O-CG 3.48Å; M238-E242 PolarHBondContact O-N 3.14Å |
| 239 | E | 98.4 | Very high | 98.6 | Very high | 137 Ų | 137 | 40.2 Ų | 40.2 | 64% | 0.64 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.9 | -34.7 | 176.9 | -55.9 | 78.8 | -173.9 | 0 | 0 | 112.1 | S237 K243 | S237-E239 VanDerWaalsContact C-N 3.27Å; S237-E239 VanDerWaalsContact CB-OE2 3.25Å; S237-E239 WeakPolarHBondContact CB-OE2 3.22Å; S237-E239 PolarHBondContact O-N 2.82Å; S237-E239 PolarHBondContact OG-OE2 2.91Å; E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 3.42Å |
| 240 | Q | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 174.9 | -74.7 | -177.3 | -56.6 | 0 | 0 | 111.6 | K170 N171 E175 L178 I236 S237 M238 K243 L244 | K170-Q240 HydrophobicContact CG-CG 4.47Å; N171-Q240 PolarHBondContact O-NE2 3.16Å; E175-Q240 PolarHBondContact OE2-NE2 3.33Å; L178-Q240 HydrophobicContact CD1-CB 3.62Å; L178-Q240 HydrophobicContact CD1-CG 3.95Å; I236-Q240 HydrophobicContact CB-CB 4.04Å; I236-Q240 HydrophobicContact CD1-CB 4.33Å; I236-Q240 HydrophobicContact CG1-CB 4.44Å; S237-Q240 WeakPolarHBondContact O-CB 3.36Å; S237-Q240 PolarHBondContact O-N 3.28Å; S237-Q240 VanDerWaalsContact O-N 3.11Å; S237-Q240 PolarHBondContact OG-N 2.75Å; M238-Q240 VanDerWaalsContact C-N 3.29Å; M238-Q240 PolarHBondContact O-N 2.74Å; Q240-K243 PolarHBondContact O-N 3.46Å; Q240-L244 PolarHBondContact O-N 3.33Å |
| 241 | L | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 173.1 | 179.5 | 65.6 | 0 | 0 | 0 | 111.5 | V131 V166 I236 S237 M238 K243 L244 Q245 | V131-L241 HydrophobicContact CB-CD1 3.84Å; V131-L241 HydrophobicContact CB-CD2 3.75Å; V131-L241 HydrophobicContact CB-CG 4.46Å; V131-L241 HydrophobicContact CG1-CD2 3.94Å; V131-L241 HydrophobicContact CG2-CD1 3.74Å; V131-L241 HydrophobicContact CG2-CD2 3.9Å; V131-L241 HydrophobicContact CG2-CG 4.39Å; V166-L241 HydrophobicContact CG2-CD2 3.69Å; I236-L241 HydrophobicContact CD1-CB 4.08Å; I236-L241 HydrophobicContact CD1-CD1 4.42Å; S237-L241 PolarHBondContact O-N 2.68Å; M238-L241 PolarHBondContact O-N 3.11Å; M238-L241 HydrophobicContact SD-CD2 4.28Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 2.68Å; L241-L244 PolarHBondContact O-N 3.27Å; L241-Q245 HydrophobicContact CD1-CG 4.03Å; L241-Q245 HydrophobicContact CG-CG 4.28Å; L241-Q245 WeakPolarHBondContact O-CB 3.31Å; L241-Q245 WeakPolarHBondContact O-CG 3.35Å; L241-Q245 PolarHBondContact O-N 2.82Å |
| 242 | E | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 45.9 Ų | 45.9 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -36.3 | 178.5 | -69 | -159.3 | 165.1 | 0 | 0 | 112.1 | K115 M238 G246 | K115-E242 HydrophobicContact CD-CG 4.46Å; K115-E242 VanDerWaalsContact CE-CD 3.46Å; K115-E242 WeakPolarHBondContact CE-OE1 3.35Å; K115-E242 IonicContact NZ-OE1 3.67Å; K115-E242 PolarHBondContact NZ-OE1 3.44Å; K115-E242 IonicContact NZ-OE2 1.91Å; K115-E242 PolarHBondContact NZ-OE2 3.48Å; M238-E242 HydrophobicContact CE-CG 3.99Å; M238-E242 WeakPolarHBondContact O-CG 3.48Å; M238-E242 PolarHBondContact O-N 3.14Å; E242-G246 PolarHBondContact O-N 3.01Å; E242-G246 VanDerWaalsContact O-N 3.13Å |
| 243 | K | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 27% | 0.274 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 174.2 | -165.8 | 178.6 | -170.4 | -169.7 | 0 | 111.7 | L178 S179 E239 Q240 L241 G246 T247 | L178-K243 WeakPolarHBondContact O-CD 3.46Å; L178-K243 WeakPolarHBondContact O-CE 3.27Å; L178-K243 PolarHBondContact O-NZ 2.97Å; S179-K243 PolarHBondContact O-NZ 3.21Å; E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 3.42Å; Q240-K243 PolarHBondContact O-N 3.46Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 2.68Å; K243-G246 PolarHBondContact O-N 2.85Å; K243-T247 WeakPolarHBondContact O-CB 3.39Å; K243-T247 PolarHBondContact O-N 2.8Å; K243-T247 PolarHBondContact O-OG1 3.15Å |
| 244 | L | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.3 | -178.4 | 60 | 0 | 0 | 0 | 111.5 | V86 L110 W112 A132 L178 L181 Q240 L241 G246 | V86-L244 HydrophobicContact CG1-CD1 4.5Å; L110-L244 HydrophobicContact CD1-CD1 4.05Å; L110-L244 HydrophobicContact CD1-CD2 4.41Å; W112-L244 HydrophobicContact CB-CD2 3.96Å; W112-L244 HydrophobicContact CB-CG 4.19Å; W112-L244 HydrophobicContact CD2-CD1 3.88Å; W112-L244 HydrophobicContact CD2-CD2 4.25Å; W112-L244 HydrophobicContact CD2-CG 3.77Å; W112-L244 HydrophobicContact CE3-CD1 3.69Å; W112-L244 HydrophobicContact CE3-CD2 4.2Å; W112-L244 HydrophobicContact CE3-CG 3.98Å; W112-L244 HydrophobicContact CG-CD2 4.19Å; W112-L244 HydrophobicContact CG-CG 3.89Å; W112-L244 HydrophobicContact CH2-CD1 4.18Å; W112-L244 HydrophobicContact CZ2-CD1 4.34Å; W112-L244 HydrophobicContact CZ3-CD1 3.87Å; W112-L244 PolarHBondContact NE1-O 2.86Å; A132-L244 HydrophobicContact CB-CD2 4.19Å; L178-L244 HydrophobicContact CD2-CB 4.05Å; L178-L244 HydrophobicContact CD2-CD1 4.01Å; L178-L244 HydrophobicContact CD2-CG 4.48Å; L181-L244 HydrophobicContact CD1-CD1 4.16Å; Q240-L244 PolarHBondContact O-N 3.33Å; L241-L244 PolarHBondContact O-N 3.27Å; L244-G246 VanDerWaalsContact C-N 3.27Å; L244-G246 PolarHBondContact O-N 2.89Å |
| 245 | Q | 98.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.2 | -10.1 | -177.8 | -69 | 179.1 | -19.3 | 0 | 0 | 115 | K115 L241 V260 | K115-Q245 VanDerWaalsContact CA-OE1 3.24Å; L241-Q245 HydrophobicContact CD1-CG 4.03Å; L241-Q245 HydrophobicContact CG-CG 4.28Å; L241-Q245 WeakPolarHBondContact O-CB 3.31Å; L241-Q245 WeakPolarHBondContact O-CG 3.35Å; L241-Q245 PolarHBondContact O-N 2.82Å; Q245-V260 VanDerWaalsContact O-CG1 3.28Å; Q245-V260 WeakPolarHBondContact O-CG1 3.29Å |
| 246 | G | 98.2 | Very high | 97.7 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -133.7 | 0.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | E242 K243 L244 | E242-G246 PolarHBondContact O-N 3.01Å; E242-G246 VanDerWaalsContact O-N 3.13Å; K243-G246 PolarHBondContact O-N 2.85Å; L244-G246 VanDerWaalsContact C-N 3.27Å; L244-G246 PolarHBondContact O-N 2.89Å |
| 247 | T | 98.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -102 | -31.4 | -175 | -52.6 | 0 | 0 | 0 | 0 | 114.2 | L181 H182 K243 | L181-T247 HydrophobicContact CB-CG2 3.73Å; H182-T247 HydrophobicContact CB-CG2 4.25Å; K243-T247 WeakPolarHBondContact O-CB 3.39Å; K243-T247 PolarHBondContact O-N 2.8Å; K243-T247 PolarHBondContact O-OG1 3.15Å |
| 248 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | trans | -98.2 | 147.2 | -170.8 | -59 | 174.1 | 0 | 0 | 0 | 111.8 | N81 V86 W112 L181 I184 S185 L258 L259 | N81-L248 HydrophobicContact CB-CD2 4.5Å; V86-L248 HydrophobicContact CB-CD1 3.78Å; V86-L248 HydrophobicContact CG1-CD1 4.03Å; W112-L248 HydrophobicContact CH2-CD1 3.64Å; W112-L248 HydrophobicContact CZ2-CD1 3.82Å; L181-L248 HydrophobicContact CB-CD2 4.1Å; L181-L248 HydrophobicContact CD2-CD1 4.27Å; L181-L248 HydrophobicContact CD2-CD2 4.45Å; L181-L248 WeakPolarHBondContact O-CD2 3.47Å; I184-L248 HydrophobicContact CG1-CD2 4.11Å; I184-L248 WeakPolarHBondContact O-CD2 3.34Å; S185-L248 CarbonylContact O-C 3.56Å; L248-L258 WeakPolarHBondContact O-CA 3.18Å; L248-L259 HydrophobicContact CB-CB 4.05Å; L248-L259 HydrophobicContact CB-CD1 4.47Å; L248-L259 PolarHBondContact O-N 3.38Å | ||
| 249 | F | 98.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 20% | 0.197 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -115 | 145.8 | 175.1 | -54.1 | -58.8 | 0 | 0 | 0 | 110.6 | N81 S185 H186 T251 K257 L258 | N81-F249 PolarHBondContact ND2-O 3.14Å; S185-F249 WeakPolarHBondContact O-CA 3.45Å; S185-F249 WeakPolarHBondContact O-CB 3.11Å; S185-F249 WeakPolarHBondContact O-CD2 3.33Å; S185-F249 PolarHBondContact O-N 2.79Å; H186-F249 AromaticContact CE1-CD2 3.71Å; H186-F249 AromaticContact ND1-CD2 3.9Å; H186-F249 AromaticContact NE2-CD2 3.96Å; F249-T251 VanDerWaalsContact C-N 3.28Å; F249-K257 CarbonylContact C-O 3.51Å; F249-K257 WeakPolarHBondContact CA-O 3.26Å; F249-K257 WeakPolarHBondContact CB-O 3.29Å; F249-L258 HydrophobicContact CD1-CD2 3.85Å; F249-L258 HydrophobicContact CD1-CG 4.25Å; F249-L258 HydrophobicContact CE1-CD2 3.61Å; F249-L258 HydrophobicContact CE1-CG 4.12Å |
| 250 | S | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -86.5 | 3.1 | 174.6 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | G83 K257 | G83-S250 WeakPolarHBondContact O-CB 3.41Å; S250-K257 PolarHBondContact N-O 3.28Å |
| 251 | T | 97.2 | Very high | 97.6 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -113.4 | 148.1 | -178.8 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | H186 K187 F249 E253 K257 | H186-T251 WeakPolarHBondContact CB-O 3.07Å; K187-T251 PolarHBondContact N-O 3.42Å; F249-T251 VanDerWaalsContact C-N 3.28Å; T251-E253 WeakPolarHBondContact CB-O 3.26Å; T251-E253 PolarHBondContact OG1-O 3.41Å; T251-K257 HydrophobicContact CG2-CB 4.04Å; T251-K257 PolarHBondContact OG1-N 2.88Å |
| 252 | E | 96.8 | Very high | 97.6 | Very high | 123 Ų | 123 | 58 Ų | 58 | 58% | 0.575 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -73.7 | -29.9 | 177.7 | -69.6 | 159.5 | -131.1 | 0 | 0 | 111.7 | H186 K187 | H186-E252 WeakPolarHBondContact CB-O 3.36Å; K187-E252 HydrophobicContact CB-CG 3.94Å; K187-E252 HydrophobicContact CD-CG 4.01Å; K187-E252 HydrophobicContact CG-CG 3.87Å; K187-E252 IonicContact NZ-OE1 3.65Å; K187-E252 PolarHBondContact NZ-OE1 3.04Å |
| 253 | E | 93 | Very high | 97.6 | Very high | 151 Ų | 151 | 57.5 Ų | 57.5 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -146.9 | -172.1 | -178.8 | 62.3 | 180 | 169 | 0 | 0 | 111.9 | T251 | T251-E253 WeakPolarHBondContact CB-O 3.26Å; T251-E253 PolarHBondContact OG1-O 3.41Å |
| 254 | E | 93.6 | Very high | 97.7 | Very high | 136 Ų | 136 | 54.8 Ų | 54.8 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -74.7 | 145.7 | 177 | -72.4 | -62.9 | 148.5 | 0 | 0 | 112.4 | S256 | E254-S256 WeakPolarHBondContact OE1-CB 3.35Å; E254-S256 PolarHBondContact OE1-OG 3.23Å; E254-S256 PolarHBondContact OE2-N 2.79Å |
| 255 | P | 95.4 | Very high | 97.6 | Very high | 117 Ų | 117 | 56.7 Ų | 56.7 | 76% | 0.76 | 31% | 0.306 | S | S | * | . | S | Bend | cis | -75.5 | 125.4 | 3.5 | 29.7 | -34.6 | 0 | 0 | 0 | 112.9 | K257 | P255-K257 PolarHBondContact O-N 3.28Š|
| 256 | S | 96.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 129.5 | -175.5 | -73.8 | 0 | 0 | 0 | 0 | 112.9 | H186 E254 | H186-S256 PolarHBondContact CE1-OG 3.41Å; H186-S256 VanDerWaalsContact CE1-OG 3.28Å; E254-S256 WeakPolarHBondContact OE1-CB 3.35Å; E254-S256 PolarHBondContact OE1-OG 3.23Å; E254-S256 PolarHBondContact OE2-N 2.79Å |
| 257 | K | 97.9 | Very high | 97.7 | Very high | 129 Ų | 129 | 58.6 Ų | 58.6 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | trans | -114.5 | 122.4 | 171.9 | -176.1 | -171.7 | 173.5 | -168.5 | 0 | 110.1 | F249 S250 T251 P255 | F249-K257 CarbonylContact C-O 3.51Å; F249-K257 WeakPolarHBondContact CA-O 3.26Å; F249-K257 WeakPolarHBondContact CB-O 3.29Å; S250-K257 PolarHBondContact N-O 3.28Å; T251-K257 HydrophobicContact CG2-CB 4.04Å; T251-K257 PolarHBondContact OG1-N 2.88Å; P255-K257 PolarHBondContact O-N 3.28Å | ||
| 258 | L | 98.5 | Very high | 97.7 | Very high | 75 Ų | 75 | 61 Ų | 61 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -57.7 | 137.4 | 176.4 | -75.9 | 170.5 | 0 | 0 | 0 | 112.4 | L248 F249 V260 | L248-L258 WeakPolarHBondContact O-CA 3.18Å; F249-L258 HydrophobicContact CD1-CD2 3.85Å; F249-L258 HydrophobicContact CD1-CG 4.25Å; F249-L258 HydrophobicContact CE1-CD2 3.61Å; F249-L258 HydrophobicContact CE1-CG 4.12Å; L258-V260 HydrophobicContact CB-CG1 4.23Å; L258-V260 PolarHBondContact O-N 3.29Å |
| 259 | L | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | trans | -84.5 | 99.8 | 173.5 | -156.3 | 169.4 | 0 | 0 | 0 | 107.9 | N81 G83 W112 L248 N262 | N81-L259 WeakPolarHBondContact OD1-CD1 3.34Å; G83-L259 VanDerWaalsContact C-CD1 3.46Å; G83-L259 WeakPolarHBondContact O-CD1 3.23Å; W112-L259 HydrophobicContact CH2-CD2 3.96Å; W112-L259 HydrophobicContact CZ2-CB 4.46Å; W112-L259 HydrophobicContact CZ2-CD2 3.57Å; W112-L259 HydrophobicContact CZ2-CG 4.45Å; W112-L259 PolarHBondContact NE1-O 3.39Å; L248-L259 HydrophobicContact CB-CB 4.05Å; L248-L259 HydrophobicContact CB-CD1 4.47Å; L248-L259 PolarHBondContact O-N 3.38Å; L259-N262 HydrophobicContact CD2-CB 3.71Å | ||
| 260 | V | 98.6 | Very high | 97.6 | Very high | 42 Ų | 42 | 66 Ų | 66 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | trans | -145.4 | 162.7 | -176.8 | -67.1 | 0 | 0 | 0 | 0 | 110.3 | Q114 Q245 L258 N262 | Q114-V260 HydrophobicContact CB-CB 3.82Å; Q114-V260 HydrophobicContact CB-CG1 4.12Å; Q114-V260 HydrophobicContact CB-CG2 4.18Å; Q245-V260 VanDerWaalsContact O-CG1 3.28Å; Q245-V260 WeakPolarHBondContact O-CG1 3.29Å; L258-V260 HydrophobicContact CB-CG1 4.23Å; L258-V260 PolarHBondContact O-N 3.29Å; V260-N262 PolarHBondContact O-N 2.99Å | ||
| 261 | Q | 98.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 73.6 Ų | 73.6 | 29% | 0.29 | 38% | 0.384 | S | S | . | . | trans | 54.5 | 38.9 | -176.5 | -52.5 | -178.7 | 42.7 | 0 | 0 | 112 | W112 G113 Q114 Y263 | W112-Q261 WeakPolarHBondContact O-CA 3.39Å; W112-Q261 PolarHBondContact O-N 3.27Å; G113-Q261 PolarHBondContact O-N 2.81Å; G113-Q261 VanDerWaalsContact O-N 3.09Å; Q114-Q261 HydrophobicContact CB-CG 4.23Å; Q114-Q261 HydrophobicContact CG-CG 4.28Å; Q261-Y263 HydrophobicContact CB-CE1 4.08Å; Q261-Y263 HydrophobicContact CG-CE1 4.49Å; Q261-Y263 PolarHBondContact O-N 3.41Å; Q261-Y263 VanDerWaalsContact O-N 3.07Å | ||
| 262 | N | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | trans | -87.8 | 48.6 | -176.3 | 69.1 | -35.1 | 0 | 0 | 0 | 111.6 | Y24 H84 L110 H111 W112 L259 V260 | Y24-N262 HydrophobicContact CD2-CB 3.94Å; Y24-N262 VanDerWaalsContact CE1-C 3.45Å; Y24-N262 VanDerWaalsContact CE2-CA 3.48Å; Y24-N262 HydrophobicContact CE2-CB 3.56Å; Y24-N262 VanDerWaalsContact CZ-O 3.25Å; Y24-N262 PolarHBondContact OH-O 3.23Å; H84-N262 WeakPolarHBondContact O-CB 3.47Å; H84-N262 PolarHBondContact O-ND2 2.76Å; L110-N262 PolarHBondContact O-ND2 3.01Å; H111-N262 PolarHBondContact ND1-O 2.99Å; W112-N262 VanDerWaalsContact CD2-OD1 3.31Å; W112-N262 WeakPolarHBondContact CZ3-ND2 3.34Å; W112-N262 PolarHBondContact N-OD1 3.27Å; W112-N262 PolarHBondContact O-N 3.42Å; W112-N262 PolarHBondContact O-OD1 3.32Å; W112-N262 VanDerWaalsContact O-OD1 3.05Å; L259-N262 HydrophobicContact CD2-CB 3.71Å; V260-N262 PolarHBondContact O-N 2.99Å | ||
| 263 | Y | 98.8 | Very high | 97.6 | Very high | 62 Ų | 62 | 73.5 Ų | 73.5 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | trans | -134.4 | 138.3 | -177.7 | 65.4 | -92.4 | 0 | 0 | 0 | 110.2 | W112 Q261 | W112-Y263 WeakPolarHBondContact O-CD1 3.16Å; Q261-Y263 HydrophobicContact CB-CE1 4.08Å; Q261-Y263 HydrophobicContact CG-CE1 4.49Å; Q261-Y263 PolarHBondContact O-N 3.41Å; Q261-Y263 VanDerWaalsContact O-N 3.07Å | ||
| 264 | R | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 2% | 0.019 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 144.6 | 174 | -164.4 | -167.4 | -172.4 | 175.7 | 4.2 | 110.4 | Q30 W33 C40 S46 P47 E122 T217 | Q30-R264 VanDerWaalsContact OE1-CA 3.29Å; W33-R264 HydrophobicContact CH2-CB 4.47Å; W33-R264 HydrophobicContact CH2-CG 4.28Å; W33-R264 HydrophobicContact CZ3-CB 4.44Å; W33-R264 HydrophobicContact CZ3-CG 3.87Å; C40-R264 PolarHBondContact O-NH2 3.1Å; S46-R264 WeakPolarHBondContact O-CD 3.5Å; S46-R264 PolarHBondContact O-NH1 2.95Å; P47-R264 WeakPolarHBondContact CG-O 3.34Å; E122-R264 VanDerWaalsContact OE1-CB 3.31Å; E122-R264 WeakPolarHBondContact OE1-CB 3.33Å; E122-R264 PolarHBondContact OE1-N 3.03Å; T217-R264 WeakPolarHBondContact O-CD 3.41Å |
| 265 | A | 98.6 | Very high | 98.1 | Very high | 43 Ų | 43 | 63 Ų | 63 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 147.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q267 | A265-Q267 PolarHBondContact O-N 2.86Å; A265-Q267 PolarHBondContact O-NE2 2.91Å |
| 266 | P | 98.7 | Very high | 98.2 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 128.2 | 171.2 | -27.9 | 35.5 | 0 | 0 | 0 | 112.9 | Q124 | Q124-P266 HydrophobicContact CG-CG 4.02Š|
| 267 | Q | 98.8 | Very high | 98.3 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 154.6 | -177.7 | -56.6 | -65.4 | -65 | 0 | 0 | 110.8 | Q45 P47 A265 L269 | Q45-Q267 HydrophobicContact CB-CB 3.9Å; Q45-Q267 HydrophobicContact CB-CG 3.87Å; P47-Q267 VanDerWaalsContact O-CB 3.27Å; P47-Q267 WeakPolarHBondContact O-CB 3.27Å; P47-Q267 PolarHBondContact O-N 2.59Å; A265-Q267 PolarHBondContact O-N 2.86Å; A265-Q267 PolarHBondContact O-NE2 2.91Å; Q267-L269 PolarHBondContact O-N 2.95Å |
| 268 | P | 98.7 | Very high | 98.2 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -60 | 134.2 | 179.3 | -24.8 | 35 | 0 | 0 | 0 | 113.1 | N270 R272 | P268-N270 PolarHBondContact O-N 3.46Å; P268-N270 PolarHBondContact O-ND2 2.82Å; P268-R272 PolarHBondContact O-NH2 2.9Å |
| 269 | L | 98.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | trans | -63.8 | -29.4 | 179.7 | -176.5 | 61.4 | 0 | 0 | 0 | 112.7 | I48 Q267 Q271 R272 V274 | I48-L269 HydrophobicContact CD1-CD1 3.9Å; Q267-L269 PolarHBondContact O-N 2.95Å; L269-Q271 VanDerWaalsContact C-N 3.32Å; L269-Q271 PolarHBondContact O-N 2.99Å; L269-R272 HydrophobicContact CD1-CB 3.97Å; L269-R272 HydrophobicContact CG-CB 4.47Å; L269-R272 WeakPolarHBondContact CG-O 3.33Å; L269-R272 WeakPolarHBondContact O-CB 3.49Å; L269-R272 WeakPolarHBondContact O-CG 3.31Å; L269-R272 PolarHBondContact O-N 2.91Å; L269-R272 VanDerWaalsContact O-N 3.12Å; L269-R272 PolarHBondContact O-NE 3.09Å; L269-V274 HydrophobicContact CD1-CG2 3.87Å | ||
| 270 | N | 98 | Very high | 96.1 | Very high | 84 Ų | 84 | 55.3 Ų | 55.3 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.6 | 175 | -66.6 | -34.7 | 0 | 0 | 0 | 113.9 | N43 P268 R272 | N43-N270 WeakPolarHBondContact CA-ND2 3.35Å; N43-N270 HydrophobicContact CB-CB 4.39Å; N43-N270 VanDerWaalsContact O-CB 3.28Å; N43-N270 WeakPolarHBondContact O-CB 3.39Å; N43-N270 PolarHBondContact O-ND2 3.28Å; P268-N270 PolarHBondContact O-N 3.46Å; P268-N270 PolarHBondContact O-ND2 2.82Å; N270-R272 PolarHBondContact O-N 3.04Å; N270-R272 VanDerWaalsContact O-N 3.09Å |
| 271 | Q | 95.7 | Very high | 94 | Very high | 197 Ų | 197 | 59 Ų | 59 | 92% | 0.921 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 10.5 | 177.7 | -51.1 | 176.9 | 1.5 | 0 | 0 | 115.3 | L269 | L269-Q271 VanDerWaalsContact C-N 3.32Å; L269-Q271 PolarHBondContact O-N 2.99Å |
| 272 | R | 98.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | trans | -63.9 | 141.7 | 168.4 | -67.7 | 175.3 | -74 | 169.5 | -7.6 | 110 | A44 Q45 N213 P268 L269 N270 | A44-R272 PolarHBondContact O-NH1 2.86Å; Q45-R272 VanDerWaalsContact O-CZ 3.26Å; Q45-R272 PolarHBondContact O-NH1 2.9Å; Q45-R272 PolarHBondContact O-NH2 2.94Å; N213-R272 WeakPolarHBondContact O-CD 3.24Å; N213-R272 PolarHBondContact O-NH1 3.49Å; N213-R272 VanDerWaalsContact O-NH1 3.12Å; P268-R272 PolarHBondContact O-NH2 2.9Å; L269-R272 HydrophobicContact CD1-CB 3.97Å; L269-R272 HydrophobicContact CG-CB 4.47Å; L269-R272 WeakPolarHBondContact CG-O 3.33Å; L269-R272 WeakPolarHBondContact O-CB 3.49Å; L269-R272 WeakPolarHBondContact O-CG 3.31Å; L269-R272 PolarHBondContact O-N 2.91Å; L269-R272 VanDerWaalsContact O-N 3.12Å; L269-R272 PolarHBondContact O-NE 3.09Å; N270-R272 PolarHBondContact O-N 3.04Å; N270-R272 VanDerWaalsContact O-N 3.09Å | ||
| 273 | M | 97.3 | Very high | 89.3 | Confident | 120 Ų | 120 | 62.8 Ų | 62.8 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | trans | -80.3 | 138.8 | 168.7 | -67.1 | -177.3 | -71.9 | 0 | 0 | 110 | F275 | M273-F275 HydrophobicContact CB-CE2 4.05Å; M273-F275 HydrophobicContact CB-CZ 4.02Å; M273-F275 HydrophobicContact CE-CZ 3.83Å; M273-F275 HydrophobicContact SD-CE1 4.47Å; M273-F275 HydrophobicContact SD-CZ 4.18Å | ||
| 274 | V | 98.7 | Very high | 87 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.055 | 40% | 0.395 | C | S | . | . | trans | -107.8 | 123.5 | 164.7 | -178.1 | 0 | 0 | 0 | 0 | 107 | I48 I50 V55 T56 F210 L269 | I48-V274 HydrophobicContact CD1-CG2 3.65Å; I50-V274 HydrophobicContact CG2-CG1 4.11Å; V55-V274 CarbonylContact C-O 3.48Å; V55-V274 VanDerWaalsContact CA-O 3.31Å; V55-V274 WeakPolarHBondContact CA-O 3.07Å; V55-V274 HydrophobicContact CG1-CB 4.12Å; V55-V274 HydrophobicContact CG1-CG1 3.95Å; T56-V274 PolarHBondContact N-O 3.06Å; F210-V274 HydrophobicContact CB-CG1 3.91Å; F210-V274 HydrophobicContact CD1-CG1 4.45Å; F210-V274 HydrophobicContact CG-CG1 4.47Å; L269-V274 HydrophobicContact CD1-CG2 3.87Å | ||
| 275 | F | 98.6 | Very high | 84.8 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 25% | 0.254 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 150.4 | 177.5 | -59.7 | -84.7 | 0 | 0 | 0 | 110.4 | T56 D58 L61 F210 R211 M273 | T56-F275 HydrophobicContact CG2-CD1 4.16Å; T56-F275 HydrophobicContact CG2-CE1 4.29Å; T56-F275 CarbonylContact O-C 3.54Å; T56-F275 WeakPolarHBondContact O-CA 3.49Å; D58-F275 HydrophobicContact CB-CB 4.22Å; D58-F275 HydrophobicContact CB-CD1 3.99Å; D58-F275 HydrophobicContact CB-CG 4.47Å; L61-F275 HydrophobicContact CD1-CB 3.94Å; F210-F275 CarbonylContact C-O 3.6Å; F210-F275 WeakPolarHBondContact CA-O 3.48Å; R211-F275 HydrophobicContact CB-CB 4.36Å; R211-F275 PolarHBondContact N-O 2.95Å; R211-F275 PolarHBondContact O-N 2.95Å; M273-F275 HydrophobicContact CB-CE2 4.05Å; M273-F275 HydrophobicContact CB-CZ 4.02Å; M273-F275 HydrophobicContact CE-CZ 3.83Å; M273-F275 HydrophobicContact SD-CE1 4.47Å; M273-F275 HydrophobicContact SD-CZ 4.18Å |
| 276 | A | 98.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 134.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V55 T56 F57 D58 Y209 F210 F278 | V55-A276 HydrophobicContact CB-CB 4.3Å; V55-A276 HydrophobicContact CG2-CB 3.85Å; T56-A276 PolarHBondContact O-N 3.29Å; F57-A276 WeakPolarHBondContact CD2-O 3.4Å; D58-A276 PolarHBondContact N-O 3.04Å; Y209-A276 WeakPolarHBondContact O-CA 3.31Å; F210-A276 HydrophobicContact CD1-CB 3.84Å; F210-A276 HydrophobicContact CE1-CB 3.95Å; A276-F278 HydrophobicContact CB-CD1 4.31Å; A276-F278 HydrophobicContact CB-CE1 4.26Å; A276-F278 PolarHBondContact O-N 2.75Å |
| 277 | S | 97.9 | Very high | 81.8 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 16% | 0.161 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -75.6 | -2.4 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | E207 Y209 | E207-S277 PolarHBondContact O-OG 2.9Å; Y209-S277 WeakPolarHBondContact CD1-OG 3.35Å; Y209-S277 PolarHBondContact N-OG 3.49Å; Y209-S277 PolarHBondContact O-N 2.81Å; Y209-S277 PolarHBondContact O-OG 3.07Å |
| 278 | F | 95.5 | Very high | 80.4 | Confident | 22 Ų | 22 | 77 Ų | 77 | 10% | 0.096 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -138 | 140.3 | -172.8 | 66.7 | -75.4 | 0 | 0 | 0 | 111.2 | Q208 F210 Y231 A276 Q280 | Q208-F278 HydrophobicContact CB-CD1 3.84Å; Q208-F278 HydrophobicContact CB-CD2 4.48Å; Q208-F278 HydrophobicContact CB-CE1 4.12Å; Q208-F278 HydrophobicContact CB-CG 4.05Å; Q208-F278 HydrophobicContact CG-CB 4.12Å; Q208-F278 HydrophobicContact CG-CD1 4.29Å; Q208-F278 HydrophobicContact CG-CD2 4.3Å; Q208-F278 HydrophobicContact CG-CG 3.98Å; F210-F278 HydrophobicContact CD1-CE1 4.41Å; F210-F278 AromaticContact CE1-CE1 3.85Å; F210-F278 HydrophobicContact CE1-CE1 3.85Å; F210-F278 AromaticContact CE1-CZ 3.93Å; F210-F278 HydrophobicContact CE1-CZ 3.93Å; F210-F278 HydrophobicContact CZ-CE1 4.01Å; F210-F278 AromaticContact CZ-CZ 3.8Å; F210-F278 HydrophobicContact CZ-CZ 3.8Å; Y231-F278 AromaticContact CD1-CE2 3.95Å; Y231-F278 HydrophobicContact CD1-CE2 3.95Å; Y231-F278 AromaticContact CD1-CZ 3.78Å; Y231-F278 HydrophobicContact CD1-CZ 3.78Å; Y231-F278 AromaticContact CD2-CZ 3.85Å; Y231-F278 HydrophobicContact CD2-CZ 3.85Å; Y231-F278 HydrophobicContact CE1-CE2 4.24Å; Y231-F278 HydrophobicContact CE1-CZ 4.39Å; Y231-F278 HydrophobicContact CE2-CZ 4.46Å; Y231-F278 HydrophobicContact CG-CE1 4.15Å; Y231-F278 HydrophobicContact CG-CE2 4.12Å; Y231-F278 AromaticContact CG-CZ 3.47Å; Y231-F278 HydrophobicContact CG-CZ 3.47Å; Y231-F278 VanDerWaalsContact CG-CZ 3.47Å; A276-F278 HydrophobicContact CB-CD1 4.31Å; A276-F278 HydrophobicContact CB-CE1 4.26Å; A276-F278 PolarHBondContact O-N 2.75Å; F278-Q280 HydrophobicContact CD2-CG 4.32Å; F278-Q280 HydrophobicContact CE2-CG 3.78Å |
| 279 | S | 87.5 | Confident | 79.1 | Confident | 85 Ų | 85 | 77.4 Ų | 77.4 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | trans | -77.6 | 126.3 | 170.5 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | A281 | S279-A281 PolarHBondContact O-N 3Š| ||
| 280 | Q | 66.3 | Low | 77.9 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 34% | 0.341 | 46% | 0.459 | S | S | . | . | trans | -75.3 | 117.1 | 165.8 | -72.5 | 169.3 | 67.4 | 0 | 0 | 109.5 | T52 F278 G282 | T52-Q280 PolarHBondContact O-NE2 2.8Å; F278-Q280 HydrophobicContact CD2-CG 4.32Å; F278-Q280 HydrophobicContact CE2-CG 3.78Å; Q280-G282 PolarHBondContact O-N 3.28Å | ||
| 281 | A | 53.6 | Low | 76.9 | Confident | 118 Ų | 118 | 81.5 Ų | 81.5 | 98% | 0.975 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 61.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S279 | S279-A281 PolarHBondContact O-N 3Š|
| 282 | G | 51.6 | Low | 76.3 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 62% | 0.619 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.5 | -16.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q280 L284 | Q280-G282 PolarHBondContact O-N 3.28Å; G282-L284 VanDerWaalsContact C-N 3.29Å; G282-L284 PolarHBondContact O-N 3.33Å |
| 283 | S | 47.7 | Very low | 75.6 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | trans | -70.1 | 89.5 | 161.4 | 172 | 0 | 0 | 0 | 0 | 108.4 | Y285 | S283-Y285 PolarHBondContact O-N 3.42Å; S283-Y285 VanDerWaalsContact OG-C 3.29Å; S283-Y285 PolarHBondContact OG-O 2.89Å | ||
| 284 | L | 49.6 | Very low | 75 | Confident | 142 Ų | 142 | 74 Ų | 74 | 74% | 0.743 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -64.6 | -15.8 | 172.3 | -109.7 | 155.5 | 0 | 0 | 0 | 112.5 | G282 | G282-L284 VanDerWaalsContact C-N 3.29Å; G282-L284 PolarHBondContact O-N 3.33Å |
| 285 | Y | 53.8 | Low | 74.6 | Confident | 123 Ų | 123 | 78 Ų | 78 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -144.7 | 123.7 | 174.5 | -53.6 | -75.1 | 0 | 0 | 0 | 109.4 | S283 E289 L293 | S283-Y285 PolarHBondContact O-N 3.42Å; S283-Y285 VanDerWaalsContact OG-C 3.29Å; S283-Y285 PolarHBondContact OG-O 2.89Å; Y285-E289 HydrophobicContact CD1-CB 4.26Å; Y285-L293 HydrophobicContact CD1-CD1 3.89Å; Y285-L293 HydrophobicContact CE1-CD1 3.94Å; Y285-L293 HydrophobicContact CG-CD1 4.49Å |
| 286 | T | 67.1 | Low | 74.2 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | trans | -64.2 | 160.8 | 163.8 | 61.4 | 0 | 0 | 0 | 0 | 110.5 | G288 E289 M290 | T286-G288 PolarHBondContact O-N 2.77Å; T286-G288 VanDerWaalsContact O-N 3.11Å; T286-E289 WeakPolarHBondContact CB-OE2 3.42Å; T286-E289 WeakPolarHBondContact CG2-OE2 3.45Å; T286-E289 PolarHBondContact N-OE2 2.85Å; T286-E289 PolarHBondContact O-N 2.84Å; T286-E289 WeakPolarHBondContact OG1-CG 3.15Å; T286-E289 PolarHBondContact OG1-N 2.89Å; T286-E289 PolarHBondContact OG1-OE2 2.93Å; T286-M290 PolarHBondContact O-N 3.26Å | ||
| 287 | T | 65.9 | Low | 74 | Confident | 115 Ų | 115 | 82.8 Ų | 82.8 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54.1 | -33.3 | 175 | -45 | 0 | 0 | 0 | 0 | 112.3 | L291 | T287-L291 HydrophobicContact CG2-CD1 4.44Å; T287-L291 WeakPolarHBondContact O-CB 3.3Å; T287-L291 VanDerWaalsContact O-CG 3.27Å; T287-L291 WeakPolarHBondContact O-CG 3.3Å; T287-L291 PolarHBondContact O-N 3.27Å; T287-L291 VanDerWaalsContact O-N 3.1Å |
| 288 | G | 70 | Confident | 73.8 | Confident | 46 Ų | 46 | 87.8 Ų | 87.8 | 47% | 0.474 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T286 S292 | T286-G288 PolarHBondContact O-N 2.77Å; T286-G288 VanDerWaalsContact O-N 3.11Å; G288-S292 WeakPolarHBondContact O-CB 3.46Å; G288-S292 PolarHBondContact O-N 3.17Å |
| 289 | E | 71.3 | Confident | 73.8 | Confident | 88 Ų | 88 | 90.3 Ų | 90.3 | 41% | 0.411 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.6 | -35.8 | 177.1 | -70.9 | 161 | 129.6 | 0 | 0 | 112.2 | Y285 T286 L291 S292 L293 | Y285-E289 HydrophobicContact CD1-CB 4.26Å; T286-E289 WeakPolarHBondContact CB-OE2 3.42Å; T286-E289 WeakPolarHBondContact CG2-OE2 3.45Å; T286-E289 PolarHBondContact N-OE2 2.85Å; T286-E289 PolarHBondContact O-N 2.84Å; T286-E289 WeakPolarHBondContact OG1-CG 3.15Å; T286-E289 PolarHBondContact OG1-N 2.89Å; T286-E289 PolarHBondContact OG1-OE2 2.93Å; E289-L291 VanDerWaalsContact C-N 3.34Å; E289-S292 PolarHBondContact O-N 2.03Å; E289-S292 PolarHBondContact O-OG 3.3Å; E289-S292 VanDerWaalsContact O-OG 3.05Å; E289-L293 WeakPolarHBondContact O-CB 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.45Å; E289-L293 PolarHBondContact O-N 3.02Å |
| 290 | M | 74.3 | Confident | 74.1 | Confident | 118 Ų | 118 | 87.9 Ų | 87.9 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 171 | -65.6 | -132.6 | 76.2 | 0 | 0 | 111.8 | T286 G294 | T286-M290 PolarHBondContact O-N 3.26Å; M290-G294 PolarHBondContact O-N 2.94Å |
| 291 | L | 77.1 | Confident | 75.4 | Confident | 118 Ų | 118 | 87.6 Ų | 87.6 | 62% | 0.618 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 174.7 | -73.5 | 168.4 | 0 | 0 | 0 | 112.1 | T287 E289 G294 V295 | T287-L291 HydrophobicContact CG2-CD1 4.44Å; T287-L291 WeakPolarHBondContact O-CB 3.3Å; T287-L291 VanDerWaalsContact O-CG 3.27Å; T287-L291 WeakPolarHBondContact O-CG 3.3Å; T287-L291 PolarHBondContact O-N 3.27Å; T287-L291 VanDerWaalsContact O-N 3.1Å; E289-L291 VanDerWaalsContact C-N 3.34Å; L291-G294 PolarHBondContact O-N 3.41Å; L291-V295 WeakPolarHBondContact O-CG2 3.13Å; L291-V295 PolarHBondContact O-N 2.64Å |
| 292 | S | 81.6 | Confident | 77.4 | Confident | 73 Ų | 73 | 86.6 Ų | 86.6 | 51% | 0.51 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 179.6 | 78.3 | 0 | 0 | 0 | 0 | 112.3 | G288 E289 G296 | G288-S292 WeakPolarHBondContact O-CB 3.46Å; G288-S292 PolarHBondContact O-N 3.17Å; E289-S292 PolarHBondContact O-N 2.03Å; E289-S292 PolarHBondContact O-OG 3.3Å; E289-S292 VanDerWaalsContact O-OG 3.05Å; S292-G296 PolarHBondContact O-N 2.95Å |
| 293 | L | 83.3 | Confident | 79.5 | Confident | 83 Ų | 83 | 87.4 Ų | 87.4 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 171.3 | -77 | 165 | 0 | 0 | 0 | 111.6 | Y285 E289 V295 G296 I297 | Y285-L293 HydrophobicContact CD1-CD1 3.89Å; Y285-L293 HydrophobicContact CE1-CD1 3.94Å; Y285-L293 HydrophobicContact CG-CD1 4.49Å; E289-L293 WeakPolarHBondContact O-CB 3.28Å; E289-L293 WeakPolarHBondContact O-CG 3.45Å; E289-L293 PolarHBondContact O-N 3.02Å; L293-V295 PolarHBondContact O-N 3Å; L293-G296 PolarHBondContact O-N 2.86Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.49Å; L293-I297 PolarHBondContact O-N 3.34Å |
| 294 | G | 85.3 | Confident | 81.7 | Confident | 41 Ų | 41 | 89 Ų | 89 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | M290 L291 L298 | M290-G294 PolarHBondContact O-N 2.94Å; L291-G294 PolarHBondContact O-N 3.41Å; G294-L298 WeakPolarHBondContact O-CB 3.16Å; G294-L298 PolarHBondContact O-N 3.47Å; G294-L298 VanDerWaalsContact O-N 3.1Å |
| 295 | V | 91.4 | Very high | 83.9 | Confident | 93 Ų | 93 | 88 Ų | 88 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L291 L293 I297 L298 V299 | L291-V295 WeakPolarHBondContact O-CG2 3.13Å; L291-V295 PolarHBondContact O-N 2.64Å; L293-V295 PolarHBondContact O-N 3Å; V295-I297 PolarHBondContact O-N 3.05Å; V295-L298 PolarHBondContact O-N 3.33Å; V295-V299 HydrophobicContact CG1-CG2 4.3Å; V295-V299 WeakPolarHBondContact O-CG2 3.26Å; V295-V299 PolarHBondContact O-N 2.94Å |
| 296 | G | 90.1 | Very high | 85.8 | Confident | 43 Ų | 43 | 86.1 Ų | 86.1 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S292 L293 G300 | S292-G296 PolarHBondContact O-N 2.95Å; L293-G296 PolarHBondContact O-N 2.86Å; G296-G300 PolarHBondContact O-N 3.01Å |
| 297 | I | 93.1 | Very high | 87.1 | Confident | 115 Ų | 115 | 84.8 Ų | 84.8 | 59% | 0.59 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 174.6 | -68.5 | 165.3 | 0 | 0 | 0 | 110.6 | L293 V295 V299 G300 C301 | L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.49Å; L293-I297 PolarHBondContact O-N 3.34Å; V295-I297 PolarHBondContact O-N 3.05Å; I297-V299 PolarHBondContact O-N 3.43Å; I297-G300 PolarHBondContact O-N 2.86Å; I297-C301 WeakPolarHBondContact O-CB 2.99Å; I297-C301 PolarHBondContact O-N 2.86Å; I297-C301 PolarHBondContact O-SG 2.99Å; I297-C301 VanDerWaalsContact O-SG 3.39Å |
| 298 | L | 94 | Very high | 88.5 | Confident | 128 Ų | 128 | 83.8 Ų | 83.8 | 67% | 0.67 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | -177 | -161.1 | 132.1 | 0 | 0 | 0 | 112.3 | G294 V295 L302 | G294-L298 WeakPolarHBondContact O-CB 3.16Å; G294-L298 PolarHBondContact O-N 3.47Å; G294-L298 VanDerWaalsContact O-N 3.1Å; V295-L298 PolarHBondContact O-N 3.33Å; L298-L302 PolarHBondContact O-N 3.36Å |
| 299 | V | 94.4 | Very high | 89.7 | Confident | 76 Ų | 76 | 87.8 Ų | 87.8 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 172.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | V295 I297 C301 L302 C303 | V295-V299 HydrophobicContact CG1-CG2 4.3Å; V295-V299 WeakPolarHBondContact O-CG2 3.26Å; V295-V299 PolarHBondContact O-N 2.94Å; I297-V299 PolarHBondContact O-N 3.43Å; V299-C301 PolarHBondContact O-N 3.26Å; V299-L302 PolarHBondContact O-N 2.88Å; V299-C303 PolarHBondContact O-N 2.94Å; V299-C303 PolarHBondContact O-SG 2.9Å; V299-C303 VanDerWaalsContact O-SG 3.39Å |
| 300 | G | 94 | Very high | 90.7 | Very high | 33 Ų | 33 | 89.3 Ų | 89.3 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G296 I297 L302 C303 L304 | G296-G300 PolarHBondContact O-N 3.01Å; I297-G300 PolarHBondContact O-N 2.86Å; G300-L302 PolarHBondContact O-N 2.95Å; G300-C303 PolarHBondContact O-N 3.47Å; G300-L304 PolarHBondContact O-N 3.21Å |
| 301 | C | 94.6 | Very high | 91.6 | Very high | 67 Ų | 67 | 88.7 Ų | 88.7 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 174 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | I297 V299 L304 L305 | I297-C301 WeakPolarHBondContact O-CB 2.99Å; I297-C301 PolarHBondContact O-N 2.86Å; I297-C301 PolarHBondContact O-SG 2.99Å; I297-C301 VanDerWaalsContact O-SG 3.39Å; V299-C301 PolarHBondContact O-N 3.26Å; C301-L304 PolarHBondContact O-N 3.09Å; C301-L305 WeakPolarHBondContact O-CG 3.24Å; C301-L305 PolarHBondContact O-N 3.12Å |
| 302 | L | 95.2 | Very high | 92.2 | Very high | 98 Ų | 98 | 85 Ų | 85 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.3 | -177.5 | 62.1 | 0 | 0 | 0 | 111.9 | L298 V299 G300 L304 L305 L306 | L298-L302 PolarHBondContact O-N 3.36Å; V299-L302 PolarHBondContact O-N 2.88Å; G300-L302 PolarHBondContact O-N 2.95Å; L302-L304 PolarHBondContact O-N 3.12Å; L302-L305 PolarHBondContact O-N 2.94Å; L302-L306 HydrophobicContact CG-CD1 4.25Å; L302-L306 WeakPolarHBondContact O-CG 3.19Å; L302-L306 PolarHBondContact O-N 2.94Å |
| 303 | C | 94.9 | Very high | 92.7 | Very high | 76 Ų | 76 | 88.7 Ų | 88.7 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.5 | -73.6 | 0 | 0 | 0 | 0 | 112.3 | V299 G300 L306 A307 | V299-C303 PolarHBondContact O-N 2.94Å; V299-C303 PolarHBondContact O-SG 2.9Å; V299-C303 VanDerWaalsContact O-SG 3.39Å; G300-C303 PolarHBondContact O-N 3.47Å; C303-L306 PolarHBondContact O-N 2.85Å; C303-A307 WeakPolarHBondContact O-CB 3.29Å; C303-A307 PolarHBondContact O-N 3.2Å |
| 304 | L | 95.3 | Very high | 93 | Very high | 119 Ų | 119 | 92.1 Ų | 92.1 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 175 | -77.7 | 166.5 | 0 | 0 | 0 | 112.1 | G300 C301 L302 L306 A307 V308 | G300-L304 PolarHBondContact O-N 3.21Å; C301-L304 PolarHBondContact O-N 3.09Å; L302-L304 PolarHBondContact O-N 3.12Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 2.88Å; L304-A307 PolarHBondContact O-N 2.86Å; L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 3.27Å |
| 305 | L | 94.9 | Very high | 93.2 | Very high | 121 Ų | 121 | 94.2 Ų | 94.2 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 176.2 | -73.5 | 169.8 | 0 | 0 | 0 | 112 | C301 L302 V308 Y309 | C301-L305 WeakPolarHBondContact O-CG 3.24Å; C301-L305 PolarHBondContact O-N 3.12Å; L302-L305 PolarHBondContact O-N 2.94Å; L305-V308 PolarHBondContact O-N 2.82Å; L305-Y309 WeakPolarHBondContact O-CB 3.31Å; L305-Y309 PolarHBondContact O-N 3.41Å |
| 306 | L | 94.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 175 | -71.3 | 171.7 | 0 | 0 | 0 | 111.7 | L302 C303 L304 V308 Y309 F310 | L302-L306 HydrophobicContact CG-CD1 4.25Å; L302-L306 WeakPolarHBondContact O-CG 3.19Å; L302-L306 PolarHBondContact O-N 2.94Å; C303-L306 PolarHBondContact O-N 2.85Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 2.88Å; L306-V308 PolarHBondContact O-N 2.95Å; L306-Y309 WeakPolarHBondContact O-CB 3.49Å; L306-Y309 PolarHBondContact O-N 2.92Å; L306-F310 WeakPolarHBondContact O-CD2 3.35Å; L306-F310 PolarHBondContact O-N 3.27Å |
| 307 | A | 94 | Very high | 92.5 | Very high | 46 Ų | 46 | 103.2 Ų | 103.2 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C303 L304 Y309 F310 I311 | C303-A307 WeakPolarHBondContact O-CB 3.29Å; C303-A307 PolarHBondContact O-N 3.2Å; L304-A307 PolarHBondContact O-N 2.86Å; A307-Y309 PolarHBondContact O-N 2.95Å; A307-F310 PolarHBondContact O-N 3.39Å; A307-I311 WeakPolarHBondContact O-CB 3.44Å; A307-I311 WeakPolarHBondContact O-CD1 3.47Å; A307-I311 VanDerWaalsContact O-CG1 3.25Å; A307-I311 WeakPolarHBondContact O-CG1 3.21Å; A307-I311 PolarHBondContact O-N 3Å |
| 308 | V | 94.6 | Very high | 91.9 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 175 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L304 L305 L306 I311 A312 | L304-V308 WeakPolarHBondContact O-CG2 3.48Å; L304-V308 PolarHBondContact O-N 3.27Å; L305-V308 PolarHBondContact O-N 2.82Å; L306-V308 PolarHBondContact O-N 2.95Å; V308-I311 PolarHBondContact O-N 2.97Å; V308-A312 VanDerWaalsContact O-CB 3.28Å; V308-A312 WeakPolarHBondContact O-CB 3.38Å; V308-A312 PolarHBondContact O-N 3.12Å |
| 309 | Y | 94.8 | Very high | 91.1 | Very high | 130 Ų | 130 | 107 Ų | 107 | 51% | 0.51 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 175.5 | 170.7 | -91.8 | 0 | 0 | 0 | 112.2 | L305 L306 A307 A312 R313 | L305-Y309 WeakPolarHBondContact O-CB 3.31Å; L305-Y309 PolarHBondContact O-N 3.41Å; L306-Y309 WeakPolarHBondContact O-CB 3.49Å; L306-Y309 PolarHBondContact O-N 2.92Å; A307-Y309 PolarHBondContact O-N 2.95Å; Y309-A312 PolarHBondContact O-N 3.06Å; Y309-R313 VanDerWaalsContact O-CB 3.25Å; Y309-R313 WeakPolarHBondContact O-CB 2.99Å; Y309-R313 PolarHBondContact O-N 3.26Å |
| 310 | F | 92.9 | Very high | 90.1 | Very high | 120 Ų | 120 | 108.4 Ų | 108.4 | 53% | 0.526 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 178.7 | -78.2 | -64.6 | 0 | 0 | 0 | 112.5 | L306 A307 R313 K314 | L306-F310 WeakPolarHBondContact O-CD2 3.35Å; L306-F310 PolarHBondContact O-N 3.27Å; A307-F310 PolarHBondContact O-N 3.39Å; F310-R313 PolarHBondContact O-N 2.91Å; F310-K314 WeakPolarHBondContact O-CB 3.26Å; F310-K314 PolarHBondContact O-N 3.03Å |
| 311 | I | 92.9 | Very high | 89.1 | Confident | 104 Ų | 104 | 110.8 Ų | 110.8 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 173.8 | -69.5 | 165 | 0 | 0 | 0 | 110.1 | A307 V308 R313 K314 I315 | A307-I311 WeakPolarHBondContact O-CB 3.44Å; A307-I311 WeakPolarHBondContact O-CD1 3.47Å; A307-I311 VanDerWaalsContact O-CG1 3.25Å; A307-I311 WeakPolarHBondContact O-CG1 3.21Å; A307-I311 PolarHBondContact O-N 3Å; V308-I311 PolarHBondContact O-N 2.97Å; I311-R313 VanDerWaalsContact C-N 3.34Å; I311-R313 PolarHBondContact O-N 3.11Å; I311-K314 PolarHBondContact O-N 3.03Å; I311-I315 HydrophobicContact CG2-CD1 3.83Å; I311-I315 WeakPolarHBondContact O-CG1 3.49Å; I311-I315 PolarHBondContact O-N 3.1Å |
| 312 | A | 90.6 | Very high | 87.8 | Confident | 41 Ų | 41 | 112.7 Ų | 112.7 | 34% | 0.339 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V308 Y309 I315 R316 | V308-A312 VanDerWaalsContact O-CB 3.28Å; V308-A312 WeakPolarHBondContact O-CB 3.38Å; V308-A312 PolarHBondContact O-N 3.12Å; Y309-A312 PolarHBondContact O-N 3.06Å; A312-I315 PolarHBondContact O-N 3.08Å; A312-R316 WeakPolarHBondContact O-CB 3.39Å; A312-R316 WeakPolarHBondContact O-CG 3.2Å; A312-R316 PolarHBondContact O-N 3.27Å |
| 313 | R | 91.6 | Very high | 86.2 | Confident | 150 Ų | 150 | 117.5 Ų | 117.5 | 57% | 0.566 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.6 | -42.1 | 174.6 | -179.8 | 174.5 | 167.2 | 172.9 | -6.8 | 111.9 | Y309 F310 I311 R316 K317 | Y309-R313 VanDerWaalsContact O-CB 3.25Å; Y309-R313 WeakPolarHBondContact O-CB 2.99Å; Y309-R313 PolarHBondContact O-N 3.26Å; F310-R313 PolarHBondContact O-N 2.91Å; I311-R313 VanDerWaalsContact C-N 3.34Å; I311-R313 PolarHBondContact O-N 3.11Å; R313-R316 PolarHBondContact O-N 2.83Å; R313-K317 PolarHBondContact O-N 2.78Å |
| 314 | K | 89.6 | Confident | 84.5 | Confident | 155 Ų | 155 | 120.2 Ų | 120.2 | 67% | 0.674 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.2 | -41.1 | 176.4 | -168.5 | 174.7 | -175.9 | 176.7 | 0 | 111.8 | F310 I311 K317 K318 | F310-K314 WeakPolarHBondContact O-CB 3.26Å; F310-K314 PolarHBondContact O-N 3.03Å; I311-K314 PolarHBondContact O-N 3.03Å; K314-K317 PolarHBondContact O-N 3.38Å; K314-K318 PolarHBondContact O-N 2.86Å |
| 315 | I | 88.8 | Confident | 82.7 | Confident | 85 Ų | 85 | 118.6 Ų | 118.6 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.3 | -46.2 | 174.3 | -67 | 166.4 | 0 | 0 | 0 | 110.9 | I311 A312 K317 K318 R319 | I311-I315 HydrophobicContact CG2-CD1 3.83Å; I311-I315 WeakPolarHBondContact O-CG1 3.49Å; I311-I315 PolarHBondContact O-N 3.1Å; A312-I315 PolarHBondContact O-N 3.08Å; I315-K317 VanDerWaalsContact C-N 3.34Å; I315-K317 PolarHBondContact O-N 2.81Å; I315-K318 PolarHBondContact O-N 2.87Å; I315-R319 WeakPolarHBondContact O-CG 3.47Å; I315-R319 PolarHBondContact O-N 3.2Å |
| 316 | R | 84.6 | Confident | 80.8 | Confident | 197 Ų | 197 | 118 Ų | 118 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.9 | -43.2 | 175.4 | -74.9 | 180 | -176.3 | -168.3 | 2.8 | 111.6 | A312 R313 R319 L320 | A312-R316 WeakPolarHBondContact O-CB 3.39Å; A312-R316 WeakPolarHBondContact O-CG 3.2Å; A312-R316 PolarHBondContact O-N 3.27Å; R313-R316 PolarHBondContact O-N 2.83Å; R316-R319 PolarHBondContact O-N 2.92Å; R316-L320 WeakPolarHBondContact O-CB 3.29Å; R316-L320 PolarHBondContact O-N 3.14Å |
| 317 | K | 83.7 | Confident | 78.9 | Confident | 128 Ų | 128 | 119.1 Ų | 119.1 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.4 | -49.4 | 176.6 | -162.6 | -172.4 | -172.4 | -118.7 | 0 | 111.9 | R313 K314 I315 R319 L320 E321 | R313-K317 PolarHBondContact O-N 2.78Å; K314-K317 PolarHBondContact O-N 3.38Å; I315-K317 VanDerWaalsContact C-N 3.34Å; I315-K317 PolarHBondContact O-N 2.81Å; K317-R319 VanDerWaalsContact C-N 3.34Å; K317-R319 PolarHBondContact O-N 2.92Å; K317-L320 PolarHBondContact O-N 2.65Å; K317-L320 VanDerWaalsContact O-N 3.1Å; K317-E321 WeakPolarHBondContact CE-OE1 3.4Å; K317-E321 IonicContact NZ-OE1 3.79Å; K317-E321 PolarHBondContact NZ-OE1 2.98Å; K317-E321 WeakPolarHBondContact O-CG 3.12Å; K317-E321 PolarHBondContact O-N 3.32Å |
| 318 | K | 80.8 | Confident | 77 | Confident | 134 Ų | 134 | 125.1 Ų | 125.1 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.8 | -41.9 | 175.4 | -86.1 | -163.5 | 169.5 | -169 | 0 | 112.8 | K314 I315 L320 E321 N322 | K314-K318 PolarHBondContact O-N 2.86Å; I315-K318 PolarHBondContact O-N 2.87Å; K318-L320 VanDerWaalsContact C-N 3.34Å; K318-L320 PolarHBondContact O-N 3.31Å; K318-E321 PolarHBondContact O-N 3.03Å; K318-N322 WeakPolarHBondContact O-CB 3.13Å; K318-N322 PolarHBondContact O-N 3.19Å |
| 319 | R | 75.4 | Confident | 75.1 | Confident | 190 Ų | 190 | 126 Ų | 126 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63 | -39.4 | 175.4 | -75.1 | -173.6 | -179.4 | -169.5 | 1.3 | 112 | I315 R316 K317 R323 | I315-R319 WeakPolarHBondContact O-CG 3.47Å; I315-R319 PolarHBondContact O-N 3.2Å; R316-R319 PolarHBondContact O-N 2.92Å; K317-R319 VanDerWaalsContact C-N 3.34Å; K317-R319 PolarHBondContact O-N 2.92Å; R319-R323 VanDerWaalsContact O-CB 3.32Å; R319-R323 WeakPolarHBondContact O-CB 3.39Å; R319-R323 PolarHBondContact O-N 3.31Å |
| 320 | L | 74.4 | Confident | 73 | Confident | 104 Ų | 104 | 125.1 Ų | 125.1 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.9 | -39.5 | 178.1 | -168.9 | 69.2 | 0 | 0 | 0 | 112.3 | R316 K317 K318 R323 K324 | R316-L320 WeakPolarHBondContact O-CB 3.29Å; R316-L320 PolarHBondContact O-N 3.14Å; K317-L320 PolarHBondContact O-N 2.65Å; K317-L320 VanDerWaalsContact O-N 3.1Å; K318-L320 VanDerWaalsContact C-N 3.34Å; K318-L320 PolarHBondContact O-N 3.31Å; L320-R323 PolarHBondContact O-N 3.46Å; L320-K324 PolarHBondContact O-N 3.37Å |
| 321 | E | 72.9 | Confident | 71.2 | Confident | 84 Ų | 84 | 123.8 Ų | 123.8 | 39% | 0.393 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.4 | -53.2 | 174.1 | -74.4 | 166.1 | 170.7 | 0 | 0 | 110.6 | K317 K318 R323 K324 T325 | K317-E321 WeakPolarHBondContact CE-OE1 3.4Å; K317-E321 IonicContact NZ-OE1 3.79Å; K317-E321 PolarHBondContact NZ-OE1 2.98Å; K317-E321 WeakPolarHBondContact O-CG 3.12Å; K317-E321 PolarHBondContact O-N 3.32Å; K318-E321 PolarHBondContact O-N 3.03Å; E321-R323 VanDerWaalsContact C-N 3.27Å; E321-R323 PolarHBondContact O-N 3.04Å; E321-K324 WeakPolarHBondContact O-CA 3.47Å; E321-K324 WeakPolarHBondContact O-CB 3.15Å; E321-K324 PolarHBondContact O-N 3.35Å; E321-T325 PolarHBondContact O-N 3.44Å; E321-T325 PolarHBondContact O-OG1 3.05Å; E321-T325 VanDerWaalsContact O-OG1 3.07Å |
| 322 | N | 66.9 | Low | 69.5 | Low | 107 Ų | 107 | 130.7 Ų | 130.7 | 57% | 0.572 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -56.9 | -38.9 | 176.3 | -76 | 11.1 | 0 | 0 | 0 | 112.7 | K318 K324 T325 V326 | K318-N322 WeakPolarHBondContact O-CB 3.13Å; K318-N322 PolarHBondContact O-N 3.19Å; N322-K324 VanDerWaalsContact C-N 3.29Å; N322-K324 PolarHBondContact O-N 3.03Å; N322-T325 PolarHBondContact O-N 2.85Å; N322-V326 WeakPolarHBondContact O-CG2 3.42Å; N322-V326 PolarHBondContact O-N 3.05Å; N322-V326 VanDerWaalsContact O-N 3.08Å |
| 323 | R | 62.3 | Low | 67.5 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 75% | 0.747 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.1 | -31.3 | 176.7 | -171.6 | 175.6 | -178.3 | -177.8 | 0.9 | 112.4 | R319 L320 E321 V327 | R319-R323 VanDerWaalsContact O-CB 3.32Å; R319-R323 WeakPolarHBondContact O-CB 3.39Å; R319-R323 PolarHBondContact O-N 3.31Å; L320-R323 PolarHBondContact O-N 3.46Å; E321-R323 VanDerWaalsContact C-N 3.27Å; E321-R323 PolarHBondContact O-N 3.04Å; R323-V327 WeakPolarHBondContact O-CG2 3.42Å |
| 324 | K | 59.2 | Low | 65.3 | Low | 134 Ų | 134 | 132.3 Ų | 132.3 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.3 | -45.8 | 171.6 | -71.5 | -178 | 176.9 | -170.8 | 0 | 111 | L320 E321 N322 V326 V327 F328 | L320-K324 PolarHBondContact O-N 3.37Å; E321-K324 WeakPolarHBondContact O-CA 3.47Å; E321-K324 WeakPolarHBondContact O-CB 3.15Å; E321-K324 PolarHBondContact O-N 3.35Å; N322-K324 VanDerWaalsContact C-N 3.29Å; N322-K324 PolarHBondContact O-N 3.03Å; K324-V326 PolarHBondContact O-N 2.79Å; K324-V327 PolarHBondContact O-N 3.46Å; K324-F328 VanDerWaalsContact O-CD2 3.3Å; K324-F328 WeakPolarHBondContact O-CD2 3.45Å; K324-F328 PolarHBondContact O-N 2.89Å |
| 325 | T | 56.8 | Low | 63.1 | Low | 85 Ų | 85 | 130.6 Ų | 130.6 | 52% | 0.521 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -58.3 | -45.6 | -178.6 | -36.2 | 0 | 0 | 0 | 0 | 112 | E321 N322 V327 F328 T329 | E321-T325 PolarHBondContact O-N 3.44Å; E321-T325 PolarHBondContact O-OG1 3.05Å; E321-T325 VanDerWaalsContact O-OG1 3.07Å; N322-T325 PolarHBondContact O-N 2.85Å; T325-V327 VanDerWaalsContact C-N 3.27Å; T325-V327 PolarHBondContact O-N 2.69Å; T325-F328 PolarHBondContact O-N 3.26Å; T325-F328 VanDerWaalsContact O-N 3.08Å; T325-T329 PolarHBondContact O-N 3.13Å; T325-T329 PolarHBondContact O-OG1 3.37Å |
| 326 | V | 55.9 | Low | 60.9 | Low | 108 Ų | 108 | 135.4 Ų | 135.4 | 66% | 0.655 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -60.2 | -33.7 | 179.5 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | N322 K324 F328 T329 | N322-V326 WeakPolarHBondContact O-CG2 3.42Å; N322-V326 PolarHBondContact O-N 3.05Å; N322-V326 VanDerWaalsContact O-N 3.08Å; K324-V326 PolarHBondContact O-N 2.79Å; V326-F328 VanDerWaalsContact C-N 3.33Å; V326-F328 PolarHBondContact O-N 3.09Å; V326-T329 PolarHBondContact O-N 3.33Å |
| 327 | V | 55.3 | Low | 58.9 | Low | 107 Ų | 107 | 134.5 Ų | 134.5 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -69.8 | -30.1 | 177.6 | 172.8 | 0 | 0 | 0 | 0 | 112 | R323 K324 T325 | R323-V327 WeakPolarHBondContact O-CG2 3.42Å; K324-V327 PolarHBondContact O-N 3.46Å; T325-V327 VanDerWaalsContact C-N 3.27Å; T325-V327 PolarHBondContact O-N 2.69Å |
| 328 | F | 54 | Low | 57.6 | Low | 172 Ų | 172 | 134.9 Ų | 134.9 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -82.2 | -16.4 | 178.8 | -76.7 | -72.9 | 0 | 0 | 0 | 114.5 | K324 T325 V326 S330 | K324-F328 VanDerWaalsContact O-CD2 3.3Å; K324-F328 WeakPolarHBondContact O-CD2 3.45Å; K324-F328 PolarHBondContact O-N 2.89Å; T325-F328 PolarHBondContact O-N 3.26Å; T325-F328 VanDerWaalsContact O-N 3.08Å; V326-F328 VanDerWaalsContact C-N 3.33Å; V326-F328 PolarHBondContact O-N 3.09Å; F328-S330 VanDerWaalsContact C-N 3.34Å; F328-S330 PolarHBondContact O-N 2.59Å |
| 329 | T | 53.1 | Low | 56.4 | Low | 113 Ų | 113 | 134.9 Ų | 134.9 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -0.6 | -177.1 | -27.1 | 0 | 0 | 0 | 0 | 114.3 | T325 V326 A331 | T325-T329 PolarHBondContact O-N 3.13Å; T325-T329 PolarHBondContact O-OG1 3.37Å; V326-T329 PolarHBondContact O-N 3.33Å; T329-A331 PolarHBondContact O-N 3.18Å |
| 330 | S | 51.8 | Low | 55.4 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 6.3 | -172.5 | -166.2 | 0 | 0 | 0 | 0 | 115.4 | F328 | F328-S330 VanDerWaalsContact C-N 3.34Å; F328-S330 PolarHBondContact O-N 2.59Å |
| 331 | A | 54.6 | Low | 54.2 | Low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -131.5 | 45.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115 | T329 | T329-A331 PolarHBondContact O-N 3.18Š|
| 332 | R | 57 | Low | 53.1 | Low | 250 Ų | 250 | 136.6 Ų | 136.6 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | trans | -159.9 | 82.3 | 164 | -136.2 | 173.9 | -175.7 | 170.9 | 0.8 | 115.9 | ||||
| 333 | A | 49.8 | Very low | 52.1 | Low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 168.7 | 136.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 334 | T | 44.6 | Very low | 51.4 | Low | 130 Ų | 130 | 134.3 Ų | 134.3 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | cis | -149.4 | 177.8 | -7.4 | 34.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 335 | T | 43.2 | Very low | 50.8 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | cis | -150.5 | 176.5 | 15 | -25 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 336 | E | 42.9 | Very low | 50.3 | Low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -60.8 | 149.5 | 160.2 | -61.5 | 162.3 | 139.2 | 0 | 0 | 114.1 | ||||
| 337 | A | 41.7 | Very low | 49.8 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 100% | 1.479 | 84% | 0.839 | S | S | * | * | trans | -157.1 | 0 | 145.3 | 0 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 337 of 337 residues in 92.6 ms
(Link to these results)