| 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 | 41.8 | Very low | 44.7 | Very low | 244 Ų | 244 | 146.9 Ų | 146.9 | 100% | 1.202 | 84% | 0.838 | S | S | * | * | 0 | 144.8 | 0 | -81.5 | 177.5 | 159.7 | 0 | 0 | 107.8 | |||||
| 2 | S | 46.4 | Very low | 45.2 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | 92.2 | 122.3 | -168.5 | -59.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | V | 40.7 | Very low | 44.8 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | trans | -103.7 | 149.3 | -155.8 | 160.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | V | 38.5 | Very low | 45.1 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 65% | 0.648 | 83% | 0.829 | S | S | * | * | trans | -58.8 | 149 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 112.5 | L6 | V4-L6 HydrophobicContact CG1-CD1 4.01Š| ||
| 5 | I | 48.5 | Very low | 45.1 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | trans | -144.9 | 115 | 135.7 | -86 | 142.3 | 0 | 0 | 0 | 108 | T7 | I5-T7 HydrophobicContact CG2-CG2 4.2Š| ||
| 6 | L | 40.1 | Very low | 44.9 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | -81.8 | 131.9 | 163.2 | -96.4 | 110.9 | 0 | 0 | 0 | 108.8 | V4 | V4-L6 HydrophobicContact CG1-CD1 4.01Š| ||
| 7 | T | 50.1 | Low | 44.7 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -111.5 | 110 | 163.9 | 46.1 | 0 | 0 | 0 | 0 | 109.6 | I5 | I5-T7 HydrophobicContact CG2-CG2 4.2Š| ||
| 8 | L | 40.4 | Very low | 44.4 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -72.8 | 114.8 | 168 | -119.7 | 86.1 | 0 | 0 | 0 | 108.8 | ||||
| 9 | S | 49.2 | Very low | 44.1 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -90.3 | 114.9 | 167.7 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | L11 | S9-L11 PolarHBondContact O-N 3.31Š| ||
| 10 | V | 47.5 | Very low | 43.7 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | -63.2 | 113.8 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 109.4 | L12 | V10-L12 PolarHBondContact O-N 3.26Š| ||
| 11 | L | 48.7 | Very low | 43.6 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -74.2 | 105 | 167.7 | -85.9 | 155.9 | 0 | 0 | 0 | 108.6 | S9 G13 | S9-L11 PolarHBondContact O-N 3.31Å; L11-G13 PolarHBondContact O-N 3.15Å | ||
| 12 | L | 50 | Low | 44 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -59.8 | 117.2 | 166.3 | -84.4 | 145.7 | 0 | 0 | 0 | 109.1 | V10 S14 | V10-L12 PolarHBondContact O-N 3.26Å; L12-S14 PolarHBondContact O-N 3.27Å; L12-S14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | G | 40.8 | Very low | 44.7 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -55.1 | 115 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L11 F15 | L11-G13 PolarHBondContact O-N 3.15Å; G13-F15 PolarHBondContact O-N 2.99Å | ||
| 14 | S | 48.5 | Very low | 46.2 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -73.8 | 108.3 | 164.6 | -62.3 | 0 | 0 | 0 | 0 | 107.6 | L12 C16 | L12-S14 PolarHBondContact O-N 3.27Å; L12-S14 VanDerWaalsContact O-N 3.15Å; S14-C16 PolarHBondContact O-N 3.29Å | ||
| 15 | F | 45 | Very low | 48.1 | Very low | 208 Ų | 208 | 131.2 Ų | 131.2 | 91% | 0.912 | 76% | 0.761 | S | S | * | * | trans | -57.6 | 104.5 | 166.1 | -95.7 | -97.7 | 0 | 0 | 0 | 108.5 | G13 P17 | G13-F15 PolarHBondContact O-N 2.99Å; F15-P17 WeakPolarHBondContact O-CD 3.48Å | ||
| 16 | C | 41.9 | Very low | 50 | Low | 106 Ų | 106 | 124.7 Ų | 124.7 | 72% | 0.716 | 73% | 0.726 | S | S | * | * | trans | -68.5 | 119.2 | 162.9 | -162.7 | 0 | 0 | 0 | 0 | 106.7 | S14 C18 | S14-C16 PolarHBondContact O-N 3.29Å; C16-C18 PolarHBondContact O-N 2.99Å | ||
| 17 | P | 42.4 | Very low | 52.3 | Low | 114 Ų | 114 | 120.5 Ų | 120.5 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -66.7 | 109.1 | 171.4 | 27.2 | -28.2 | 0 | 0 | 0 | 106.5 | F15 L19 | F15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-L19 PolarHBondContact O-N 2.89Å | ||
| 18 | C | 38.8 | Very low | 54.4 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -44.7 | 127.6 | 168.3 | -68.2 | 0 | 0 | 0 | 0 | 108.8 | C16 G20 | C16-C18 PolarHBondContact O-N 2.99Å; C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.36Å | ||
| 19 | L | 38.4 | Very low | 57.1 | Low | 179 Ų | 179 | 111.5 Ų | 111.5 | 94% | 0.937 | 66% | 0.659 | S | S | * | * | trans | -51.2 | 95.1 | 167.5 | -75.3 | 113.2 | 0 | 0 | 0 | 109 | P17 S21 | P17-L19 PolarHBondContact O-N 2.89Å; L19-S21 PolarHBondContact O-N 2.81Å | ||
| 20 | G | 36.1 | Very low | 59.4 | Low | 61 Ų | 61 | 108.5 Ų | 108.5 | 63% | 0.629 | 63% | 0.633 | S | S | * | * | trans | -64.4 | 117.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106 | C18 K22 | C18-G20 VanDerWaalsContact C-N 3.29Å; C18-G20 PolarHBondContact O-N 3.36Å; G20-K22 PolarHBondContact O-N 2.78Å | ||
| 21 | S | 42 | Very low | 61.8 | Low | 101 Ų | 101 | 102.8 Ų | 102.8 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | trans | -56.6 | 86.2 | 164 | 174 | 0 | 0 | 0 | 0 | 107.9 | L19 N23 | L19-S21 PolarHBondContact O-N 2.81Å; S21-N23 PolarHBondContact O-N 3.2Å | ||
| 22 | K | 49.6 | Very low | 64 | Low | 190 Ų | 190 | 101.8 Ų | 101.8 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | trans | -64.7 | 104.5 | 162.5 | -76.7 | -173.6 | 177.6 | -178.2 | 0 | 104.5 | G20 R24 | G20-K22 PolarHBondContact O-N 2.78Å; K22-R24 PolarHBondContact O-N 3.08Å | ||
| 23 | N | 61.8 | Low | 66.2 | Low | 136 Ų | 136 | 99 Ų | 99 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | trans | -45.8 | 113.3 | 172.2 | -75.1 | -5.9 | 0 | 0 | 0 | 107.7 | S21 | S21-N23 PolarHBondContact O-N 3.2Š| ||
| 24 | R | 72 | Confident | 68.9 | Low | 115 Ų | 115 | 95.9 Ų | 95.9 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | trans | -66.9 | 147.2 | 178.2 | -73.7 | -174.5 | -90.7 | -171 | -12.4 | 107.6 | K22 R26 D27 E162 | K22-R24 PolarHBondContact O-N 3.08Å; R24-R26 HydrophobicContact CB-CG 3.94Å; R24-R26 VanDerWaalsContact CZ-CZ 3.48Å; R24-R26 VanDerWaalsContact CZ-NH2 3.25Å; R24-R26 VanDerWaalsContact NH2-NH2 3.14Å; R24-R26 PolarHBondContact O-N 2.73Å; R24-D27 PolarHBondContact N-OD2 2.74Å; R24-D27 WeakPolarHBondContact O-CB 3.46Å; R24-D27 PolarHBondContact O-N 3.33Å; R24-E162 IonicContact NH1-OE2 3.69Å | ||
| 25 | P | 79.1 | Confident | 71.1 | Confident | 82 Ų | 82 | 90.8 Ų | 90.8 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27.7 | 177.7 | -28.6 | 35.6 | 0 | 0 | 0 | 114.3 | S28 K159 | P25-S28 PolarHBondContact O-OG 3.18Å; P25-K159 HydrophobicContact CB-CG 4.37Å |
| 26 | R | 87.7 | Confident | 73.5 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 8% | 0.075 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24.6 | 174.3 | 71.2 | -177.6 | -165.1 | 152.7 | 19.3 | 114.5 | R24 S28 D29 E30 Y46 F160 E162 | R24-R26 HydrophobicContact CB-CG 3.94Å; R24-R26 VanDerWaalsContact CZ-CZ 3.48Å; R24-R26 VanDerWaalsContact CZ-NH2 3.25Å; R24-R26 VanDerWaalsContact NH2-NH2 3.14Å; R24-R26 PolarHBondContact O-N 2.73Å; R26-S28 PolarHBondContact O-N 3.27Å; R26-D29 WeakPolarHBondContact O-CA 3.31Å; R26-D29 WeakPolarHBondContact O-CB 3.34Å; R26-D29 PolarHBondContact O-N 2.72Å; R26-E30 PolarHBondContact O-N 3.29Å; R26-Y46 WeakPolarHBondContact O-CD1 3.46Å; R26-F160 HydrophobicContact CB-CD1 4.1Å; R26-F160 HydrophobicContact CB-CE1 3.62Å; R26-F160 HydrophobicContact CB-CE2 4.15Å; R26-F160 HydrophobicContact CB-CZ 3.64Å; R26-F160 HydrophobicContact CG-CD1 4.48Å; R26-F160 HydrophobicContact CG-CE1 4.23Å; R26-E162 IonicContact CZ-OE1 2.7Å; R26-E162 IonicContact NH1-OE1 3.51Å; R26-E162 PolarHBondContact NH1-OE1 3.48Å; R26-E162 IonicContact NH1-OE2 3.6Å; R26-E162 PolarHBondContact NH1-OE2 3.17Å |
| 27 | D | 89.4 | Confident | 76 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.1 | -172.9 | -60.9 | -17.9 | 0 | 0 | 0 | 110.8 | R24 D29 | R24-D27 PolarHBondContact N-OD2 2.74Å; R24-D27 WeakPolarHBondContact O-CB 3.46Å; R24-D27 PolarHBondContact O-N 3.33Å; D27-D29 VanDerWaalsContact C-N 3.3Å |
| 28 | S | 93.1 | Very high | 78.3 | Confident | 83 Ų | 83 | 82.4 Ų | 82.4 | 58% | 0.58 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.9 | 170.6 | 57 | 0 | 0 | 0 | 0 | 114.2 | P25 R26 | P25-S28 PolarHBondContact O-OG 3.18Å; R26-S28 PolarHBondContact O-N 3.27Å |
| 29 | D | 97.2 | Very high | 80.9 | Confident | 14 Ų | 14 | 81 Ų | 81 | 8% | 0.075 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -8.1 | -179.4 | -66 | 5.8 | 0 | 0 | 0 | 111.1 | R26 D27 I31 Y46 S47 Y61 K159 N367 | R26-D29 WeakPolarHBondContact O-CA 3.31Å; R26-D29 WeakPolarHBondContact O-CB 3.34Å; R26-D29 PolarHBondContact O-N 2.72Å; D27-D29 VanDerWaalsContact C-N 3.3Å; D29-I31 PolarHBondContact O-N 2.83Å; D29-Y46 HydrophobicContact CB-CD1 4.43Å; D29-Y46 CarbonylContact O-C 3.55Å; D29-Y46 VanDerWaalsContact O-CA 3.23Å; D29-Y46 WeakPolarHBondContact O-CA 3.29Å; D29-S47 WeakPolarHBondContact CA-O 3.27Å; D29-S47 WeakPolarHBondContact CB-O 3.34Å; D29-S47 PolarHBondContact O-N 3.1Å; D29-S47 VanDerWaalsContact O-O 3.09Å; D29-Y61 VanDerWaalsContact CB-OH 3.28Å; D29-Y61 WeakPolarHBondContact CB-OH 3.24Å; D29-Y61 WeakPolarHBondContact OD2-CE1 3.32Å; D29-Y61 PolarHBondContact OD2-OH 2.83Å; D29-K159 IonicContact OD1-NZ 3.69Å; D29-K159 IonicContact OD2-NZ 3.62Å; D29-K159 PolarHBondContact OD2-NZ 3Å; D29-N367 PolarHBondContact O-ND2 2.67Å |
| 30 | E | 97.8 | Very high | 83.6 | Confident | 47 Ų | 47 | 75 Ų | 75 | 22% | 0.22 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 131.2 | -178.3 | -163.5 | 163.6 | 160.1 | 0 | 0 | 111.9 | R26 L32 Y46 N367 | R26-E30 PolarHBondContact O-N 3.29Å; E30-L32 HydrophobicContact CG-CD2 4.08Å; E30-L32 PolarHBondContact O-N 3.17Å; E30-Y46 HydrophobicContact CB-CD1 3.79Å; E30-Y46 HydrophobicContact CB-CE1 3.55Å; E30-Y46 HydrophobicContact CG-CD1 4.22Å; E30-Y46 HydrophobicContact CG-CE1 3.75Å; E30-Y46 PolarHBondContact OE2-OH 3.22Å; E30-Y46 VanDerWaalsContact OE2-OH 3.13Å; E30-N367 PolarHBondContact O-ND2 3.49Å |
| 31 | I | 97.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | trans | -91.1 | 95.7 | 175.6 | -50.9 | 177.5 | 0 | 0 | 0 | 108.1 | D29 Y33 L34 Q45 W62 I366 | D29-I31 PolarHBondContact O-N 2.83Å; I31-Y33 VanDerWaalsContact C-N 3.31Å; I31-Y33 WeakPolarHBondContact CG2-O 3.32Å; I31-Y33 PolarHBondContact O-N 2.87Å; I31-L34 HydrophobicContact CG2-CB 4.45Å; I31-Q45 HydrophobicContact CB-CG 3.67Å; I31-Q45 HydrophobicContact CD1-CG 3.9Å; I31-Q45 HydrophobicContact CG1-CG 4.07Å; I31-Q45 HydrophobicContact CG2-CG 4.4Å; I31-Q45 PolarHBondContact N-O 2.89Å; I31-W62 HydrophobicContact CD1-CD2 4.11Å; I31-W62 HydrophobicContact CD1-CH2 4.36Å; I31-W62 HydrophobicContact CD1-CZ2 3.51Å; I31-I366 HydrophobicContact CD1-CB 4.15Å; I31-I366 HydrophobicContact CD1-CG2 4.11Å | ||
| 32 | L | 95.3 | Very high | 89 | Confident | 147 Ų | 147 | 75.5 Ų | 75.5 | 77% | 0.77 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -74.3 | -22.1 | -178.5 | -61.4 | 177.3 | 0 | 0 | 0 | 113.6 | E30 | E30-L32 HydrophobicContact CG-CD2 4.08Å; E30-L32 PolarHBondContact O-N 3.17Å |
| 33 | Y | 96.3 | Very high | 91.3 | Very high | 100 Ų | 100 | 67.7 Ų | 67.7 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | trans | -146.2 | 124.3 | 178.1 | 178.3 | -93.6 | 0 | 0 | 0 | 108.9 | I31 P35 Q40 F365 | I31-Y33 VanDerWaalsContact C-N 3.31Å; I31-Y33 WeakPolarHBondContact CG2-O 3.32Å; I31-Y33 PolarHBondContact O-N 2.87Å; Y33-P35 HydrophobicContact CD1-CG 4.06Å; Y33-P35 HydrophobicContact CE1-CB 4.21Å; Y33-P35 HydrophobicContact CE1-CG 4Å; Y33-P35 WeakPolarHBondContact O-CD 3.44Å; Y33-Q40 HydrophobicContact CD2-CG 4.15Å; Y33-Q40 HydrophobicContact CE2-CG 4.3Å; Y33-F365 AromaticContact CD1-CD1 3.8Å; Y33-F365 HydrophobicContact CD1-CD1 3.8Å; Y33-F365 HydrophobicContact CD1-CD2 4.19Å; Y33-F365 AromaticContact CD1-CE1 3.67Å; Y33-F365 HydrophobicContact CD1-CE1 3.67Å; Y33-F365 HydrophobicContact CD1-CE2 4.08Å; Y33-F365 HydrophobicContact CD1-CG 4.06Å; Y33-F365 AromaticContact CD1-CZ 3.83Å; Y33-F365 HydrophobicContact CD1-CZ 3.83Å; Y33-F365 HydrophobicContact CE1-CE2 4.47Å; Y33-F365 HydrophobicContact CE1-CZ 4.45Å; Y33-F365 HydrophobicContact CG-CD1 4.24Å; Y33-F365 HydrophobicContact CG-CE1 4.03Å; Y33-F365 HydrophobicContact CG-CZ 4.49Å; Y33-F365 WeakPolarHBondContact O-CB 3.33Å; Y33-F365 WeakPolarHBondContact O-CD1 3.46Å | ||
| 34 | L | 96.6 | Very high | 93 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | trans | -102 | 106.5 | 177.2 | -178 | 58.1 | 0 | 0 | 0 | 109.5 | I31 G36 A37 Q40 P41 W62 Y98 L106 I366 | I31-L34 HydrophobicContact CG2-CB 4.45Å; L34-G36 PolarHBondContact O-N 2.84Å; L34-A37 HydrophobicContact CB-CB 4.28Å; L34-A37 HydrophobicContact CD2-CB 4.1Å; L34-A37 HydrophobicContact CG-CB 4.14Å; L34-A37 PolarHBondContact O-N 3.21Å; L34-Q40 PolarHBondContact O-NE2 2.91Å; L34-P41 HydrophobicContact CB-CG 4.42Å; L34-P41 HydrophobicContact CD2-CG 4.18Å; L34-W62 HydrophobicContact CD1-CH2 3.77Å; L34-W62 HydrophobicContact CD1-CZ2 3.71Å; L34-Y98 HydrophobicContact CD2-CD2 4.18Å; L34-L106 HydrophobicContact CD1-CD1 4.17Å; L34-L106 HydrophobicContact CD2-CD1 3.77Å; L34-L106 HydrophobicContact CG-CD1 3.74Å; L34-I366 HydrophobicContact CD1-CG2 4.35Å | ||
| 35 | P | 95.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 135.6 | -179.6 | -24.4 | 35.6 | 0 | 0 | 0 | 111.6 | Y33 A37 Y356 I361 V362 F365 | Y33-P35 HydrophobicContact CD1-CG 4.06Å; Y33-P35 HydrophobicContact CE1-CB 4.21Å; Y33-P35 HydrophobicContact CE1-CG 4Å; Y33-P35 WeakPolarHBondContact O-CD 3.44Å; P35-A37 VanDerWaalsContact C-N 3.34Å; P35-Y356 WeakPolarHBondContact O-CE2 3.46Å; P35-Y356 PolarHBondContact O-OH 3.06Å; P35-I361 HydrophobicContact CG-CG2 4.23Å; P35-V362 HydrophobicContact CB-CG2 4.09Å; P35-V362 HydrophobicContact CG-CG2 4.32Å; P35-F365 HydrophobicContact CG-CB 3.79Å; P35-F365 HydrophobicContact CG-CD2 3.6Å; P35-F365 HydrophobicContact CG-CE2 4.45Å; P35-F365 HydrophobicContact CG-CG 3.88Å |
| 36 | G | 94.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 31% | 0.309 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -17.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L34 P104 L106 | L34-G36 PolarHBondContact O-N 2.84Å; G36-P104 WeakPolarHBondContact CA-O 3.45Å; G36-L106 PolarHBondContact O-N 3.18Å |
| 37 | A | 94.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -89.8 | 124.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L34 P35 Q40 Y98 L106 | L34-A37 HydrophobicContact CB-CB 4.28Å; L34-A37 HydrophobicContact CD2-CB 4.1Å; L34-A37 HydrophobicContact CG-CB 4.14Å; L34-A37 PolarHBondContact O-N 3.21Å; P35-A37 VanDerWaalsContact C-N 3.34Å; A37-Q40 PolarHBondContact O-NE2 3.04Å; A37-Y98 HydrophobicContact CB-CD1 4.36Å; A37-Y98 HydrophobicContact CB-CE1 4.41Å; A37-L106 HydrophobicContact CB-CB 4.17Å; A37-L106 HydrophobicContact CB-CD1 4.19Å |
| 38 | W | 89.9 | Confident | 96.1 | Very high | 220 Ų | 220 | 53.1 Ų | 53.1 | 83% | 0.833 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -145.1 | 125.2 | 169.2 | -172.1 | -95.7 | 0 | 0 | 0 | 110.8 | ||
| 39 | P | 94 | Very high | 96.2 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 60% | 0.597 | 25% | 0.25 | S | C | * | . | S | Bend | cis | -62.7 | 162.4 | -3.2 | 29.5 | -36.2 | 0 | 0 | 0 | 112.8 | ||
| 40 | Q | 95.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 152.5 | 176.1 | -73.1 | -68.6 | -54.3 | 0 | 0 | 111.2 | Y33 L34 A37 | Y33-Q40 HydrophobicContact CD2-CG 4.15Å; Y33-Q40 HydrophobicContact CE2-CG 4.3Å; L34-Q40 PolarHBondContact O-NE2 2.91Å; A37-Q40 PolarHBondContact O-NE2 3.04Å |
| 41 | P | 95.7 | Very high | 96.2 | Very high | 25 Ų | 25 | 52 Ų | 52 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 140.1 | -179.4 | -22.2 | 33.5 | 0 | 0 | 0 | 112.8 | L34 F43 Y98 | L34-P41 HydrophobicContact CB-CG 4.42Å; L34-P41 HydrophobicContact CD2-CG 4.18Å; P41-F43 HydrophobicContact CB-CD1 4.38Å; P41-F43 HydrophobicContact CB-CE1 3.99Å; P41-F43 HydrophobicContact CB-CE2 4.23Å; P41-F43 HydrophobicContact CB-CZ 3.89Å; P41-Y98 VanDerWaalsContact CA-OH 3.26Å; P41-Y98 WeakPolarHBondContact CA-OH 3.19Å; P41-Y98 HydrophobicContact CB-CE2 3.93Å; P41-Y98 HydrophobicContact CG-CD2 4.43Å; P41-Y98 HydrophobicContact CG-CE2 3.51Å |
| 42 | N | 94.6 | Very high | 96.2 | Very high | 148 Ų | 148 | 51.8 Ų | 51.8 | 79% | 0.791 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -97.8 | 7 | 178.2 | 67 | -10.5 | 0 | 0 | 0 | 113.4 | ||
| 43 | F | 97.5 | Very high | 96.2 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 11% | 0.114 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -119.7 | 158.3 | 172.7 | 56 | -92.4 | 0 | 0 | 0 | 108.7 | P41 V64 T67 P97 Y98 N114 | P41-F43 HydrophobicContact CB-CD1 4.38Å; P41-F43 HydrophobicContact CB-CE1 3.99Å; P41-F43 HydrophobicContact CB-CE2 4.23Å; P41-F43 HydrophobicContact CB-CZ 3.89Å; F43-V64 HydrophobicContact CE2-CB 4.11Å; F43-V64 HydrophobicContact CE2-CG1 4.37Å; F43-T67 HydrophobicContact CD1-CG2 3.83Å; F43-T67 HydrophobicContact CE1-CG2 4.31Å; F43-T67 HydrophobicContact CG-CG2 4.45Å; F43-P97 HydrophobicContact CE1-CB 4Å; F43-P97 HydrophobicContact CE2-CB 4.26Å; F43-P97 HydrophobicContact CE2-CG 4.04Å; F43-P97 HydrophobicContact CZ-CB 3.37Å; F43-P97 HydrophobicContact CZ-CG 3.58Å; F43-Y98 HydrophobicContact CE1-CE2 4.14Å; F43-Y98 AromaticContact CZ-CE2 3.79Å; F43-Y98 HydrophobicContact CZ-CE2 3.79Å; F43-N114 WeakPolarHBondContact CE2-ND2 3.48Å |
| 44 | K | 97.8 | Very high | 96.1 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 41% | 0.409 | 22% | 0.224 | S | C | . | . | trans | -80.4 | 150.3 | 179.2 | -56.5 | -167.6 | 175.3 | -163.6 | 0 | 111.2 | Y46 E65 | K44-Y46 HydrophobicContact CB-CE2 3.83Å; K44-Y46 HydrophobicContact CD-CE2 4.45Å; K44-Y46 VanDerWaalsContact CD-OH 3.27Å; K44-Y46 WeakPolarHBondContact CD-OH 3.2Å; K44-E65 HydrophobicContact CB-CG 4.26Å; K44-E65 WeakPolarHBondContact CB-OE2 3.43Å; K44-E65 VanDerWaalsContact O-CB 3.32Å; K44-E65 WeakPolarHBondContact O-CB 3.41Å; K44-E65 PolarHBondContact O-N 3.06Å | ||
| 45 | Q | 98.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 149.7 | 173.6 | 71.1 | -173.3 | -44.8 | 0 | 0 | 109.3 | I31 L63 V64 | I31-Q45 HydrophobicContact CB-CG 3.67Å; I31-Q45 HydrophobicContact CD1-CG 3.9Å; I31-Q45 HydrophobicContact CG1-CG 4.07Å; I31-Q45 HydrophobicContact CG2-CG 4.4Å; I31-Q45 PolarHBondContact N-O 2.89Å; Q45-L63 CarbonylContact C-O 3.58Å; Q45-L63 WeakPolarHBondContact CA-O 3.48Å; Q45-L63 VanDerWaalsContact CB-O 3.31Å; Q45-L63 WeakPolarHBondContact CB-O 3.26Å; Q45-V64 HydrophobicContact CB-CG1 4.02Å |
| 46 | Y | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137 | -173.4 | -59.7 | -94.8 | 0 | 0 | 0 | 108.8 | R26 D29 E30 K44 W62 L63 E65 F160 | R26-Y46 WeakPolarHBondContact O-CD1 3.46Å; D29-Y46 HydrophobicContact CB-CD1 4.43Å; D29-Y46 CarbonylContact O-C 3.55Å; D29-Y46 VanDerWaalsContact O-CA 3.23Å; D29-Y46 WeakPolarHBondContact O-CA 3.29Å; E30-Y46 HydrophobicContact CB-CD1 3.79Å; E30-Y46 HydrophobicContact CB-CE1 3.55Å; E30-Y46 HydrophobicContact CG-CD1 4.22Å; E30-Y46 HydrophobicContact CG-CE1 3.75Å; E30-Y46 PolarHBondContact OE2-OH 3.22Å; E30-Y46 VanDerWaalsContact OE2-OH 3.13Å; K44-Y46 HydrophobicContact CB-CE2 3.83Å; K44-Y46 HydrophobicContact CD-CE2 4.45Å; K44-Y46 VanDerWaalsContact CD-OH 3.27Å; K44-Y46 WeakPolarHBondContact CD-OH 3.2Å; Y46-W62 CarbonylContact O-C 3.31Å; Y46-W62 VanDerWaalsContact O-CA 3.31Å; Y46-W62 WeakPolarHBondContact O-CA 3.32Å; Y46-L63 HydrophobicContact CD2-CD2 3.97Å; Y46-L63 PolarHBondContact N-O 2.92Å; Y46-L63 PolarHBondContact O-N 3.15Å; Y46-E65 HydrophobicContact CE2-CG 4.4Å; Y46-F160 AromaticContact CD1-CE1 3.97Å; Y46-F160 HydrophobicContact CD1-CE1 3.97Å; Y46-F160 HydrophobicContact CD1-CZ 4.04Å; Y46-F160 AromaticContact CD2-CE1 3.78Å; Y46-F160 HydrophobicContact CD2-CE1 3.78Å; Y46-F160 HydrophobicContact CD2-CZ 4.21Å; Y46-F160 HydrophobicContact CE1-CE1 4.29Å; Y46-F160 HydrophobicContact CE2-CE1 4.1Å; Y46-F160 AromaticContact CG-CE1 3.73Å; Y46-F160 HydrophobicContact CG-CE1 3.73Å; Y46-F160 AromaticContact CG-CZ 3.76Å; Y46-F160 HydrophobicContact CG-CZ 3.76Å |
| 47 | S | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.3 | 173.3 | 165.7 | 0 | 0 | 0 | 0 | 109.1 | D29 H60 Y61 I366 N367 | D29-S47 WeakPolarHBondContact CA-O 3.27Å; D29-S47 WeakPolarHBondContact CB-O 3.34Å; D29-S47 PolarHBondContact O-N 3.1Å; D29-S47 VanDerWaalsContact O-O 3.09Å; S47-H60 PolarHBondContact OG-NE2 3.12Å; S47-Y61 VanDerWaalsContact CA-O 3.29Å; S47-Y61 WeakPolarHBondContact CA-O 3.35Å; S47-I366 WeakPolarHBondContact CB-O 3.37Å; S47-I366 PolarHBondContact OG-O 2.75Å; S47-N367 WeakPolarHBondContact O-CB 3.48Å |
| 48 | G | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -152.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H60 Y61 | G48-H60 WeakPolarHBondContact O-CA 3.35Å; G48-H60 PolarHBondContact O-CD2 2.96Å; G48-H60 VanDerWaalsContact O-CD2 3.25Å; G48-Y61 PolarHBondContact N-O 2.93Å; G48-Y61 VanDerWaalsContact O-CD1 3.24Å; G48-Y61 WeakPolarHBondContact O-CD1 3.39Å; G48-Y61 PolarHBondContact O-N 3.38Å |
| 49 | Y | 97.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 11% | 0.106 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.4 | -176.8 | -64.1 | -85.3 | 0 | 0 | 0 | 112.8 | H58 I59 H60 F130 Y132 K159 R369 | Y49-H58 HydrophobicContact CD1-CB 3.95Å; Y49-H58 HydrophobicContact CG-CB 4.44Å; Y49-I59 CarbonylContact C-O 3.58Å; Y49-I59 WeakPolarHBondContact CA-O 3.05Å; Y49-H60 HydrophobicContact CD1-CB 4.19Å; Y49-H60 HydrophobicContact CE1-CB 3.89Å; Y49-F130 VanDerWaalsContact CE1-O 3.27Å; Y49-F130 WeakPolarHBondContact CE1-O 3.41Å; Y49-F130 PolarHBondContact OH-O 3.14Å; Y49-Y132 HydrophobicContact CD1-CD1 4.28Å; Y49-Y132 AromaticContact CD1-CE1 3.77Å; Y49-Y132 HydrophobicContact CD1-CE1 3.77Å; Y49-Y132 AromaticContact CE1-CD1 3.76Å; Y49-Y132 HydrophobicContact CE1-CD1 3.76Å; Y49-Y132 AromaticContact CE1-CE1 3.47Å; Y49-Y132 HydrophobicContact CE1-CE1 3.47Å; Y49-Y132 VanDerWaalsContact CE1-CE1 3.47Å; Y49-Y132 HydrophobicContact CE2-CE1 4.45Å; Y49-Y132 HydrophobicContact CG-CE1 4.37Å; Y49-Y132 AromaticContact CZ-CE1 3.84Å; Y49-K159 PolarHBondContact O-NZ 3.37Å; Y49-R369 HydrophobicContact CE2-CG 4.06Å |
| 50 | L | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.7 | 171 | -59.1 | 172.6 | 0 | 0 | 0 | 110.4 | H58 I59 Y61 L122 A152 H155 F156 K159 | L50-H58 CarbonylContact O-C 3.48Å; L50-H58 WeakPolarHBondContact O-CA 3.42Å; L50-I59 PolarHBondContact N-O 3.25Å; L50-I59 PolarHBondContact O-N 2.76Å; L50-Y61 HydrophobicContact CD1-CD1 4.06Å; L50-Y61 HydrophobicContact CD1-CG 3.98Å; L50-Y61 HydrophobicContact CD2-CD1 4.07Å; L50-Y61 HydrophobicContact CD2-CE1 4.11Å; L50-Y61 HydrophobicContact CG-CD1 3.59Å; L50-Y61 HydrophobicContact CG-CE1 4.14Å; L50-Y61 HydrophobicContact CG-CG 4.04Å; L50-L122 HydrophobicContact CD1-CD2 3.81Å; L50-A152 HydrophobicContact CB-CB 3.87Å; L50-A152 HydrophobicContact CD1-CB 4.27Å; L50-H155 VanDerWaalsContact CA-ND1 3.32Å; L50-H155 WeakPolarHBondContact CA-ND1 3.46Å; L50-F156 HydrophobicContact CD1-CB 3.96Å; L50-F156 HydrophobicContact CD2-CB 4.03Å; L50-K159 HydrophobicContact CD2-CD 4.12Å |
| 51 | R | 97.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 35% | 0.347 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.3 | 178.3 | -66.4 | -175.4 | -73.9 | 160.9 | -0.5 | 109.6 | D55 I57 H151 A152 H155 E158 | R51-D55 WeakPolarHBondContact CD-OD1 3.34Å; R51-D55 IonicContact CZ-OD1 2.69Å; R51-D55 IonicContact NE-OD1 3.37Å; R51-D55 IonicContact NH1-OD1 3.7Å; R51-D55 PolarHBondContact NH1-OD1 3.27Å; R51-I57 WeakPolarHBondContact CA-O 3.42Å; R51-H151 CarbonylContact O-C 3.48Å; R51-H151 VanDerWaalsContact O-C 3.3Å; R51-A152 VanDerWaalsContact O-CA 3.23Å; R51-A152 WeakPolarHBondContact O-CA 3.18Å; R51-A152 PolarHBondContact O-N 3.2Å; R51-H155 HydrophobicContact CB-CB 4.41Å; R51-H155 PolarHBondContact N-ND1 2.63Å; R51-H155 PolarHBondContact NE-CD2 3.48Å; R51-H155 VanDerWaalsContact NE-CD2 3.31Å; R51-H155 PolarHBondContact NE-NE2 3.09Å; R51-H155 VanDerWaalsContact NE-NE2 3.18Å; R51-E158 IonicContact NH2-OE2 3Å; R51-E158 PolarHBondContact NH2-OE2 3.04Å |
| 52 | G | 97.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | trans | -77.6 | -151.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S54 I57 H151 | G52-S54 PolarHBondContact O-N 3.17Å; G52-I57 PolarHBondContact N-O 3.06Å; G52-H151 VanDerWaalsContact C-CB 3.41Å; G52-H151 VanDerWaalsContact O-CB 3.32Å; G52-H151 WeakPolarHBondContact O-CB 3.44Å | ||
| 53 | S | 95.6 | Very high | 97.1 | Very high | 41 Ų | 41 | 27.7 Ų | 27.7 | 29% | 0.287 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -70.8 | -0.8 | -178.5 | 87.3 | 0 | 0 | 0 | 0 | 113.8 | R144 S147 D148 | S53-R144 PolarHBondContact OG-NE 3.47Å; S53-R144 PolarHBondContact OG-NH2 2.9Å; S53-R144 VanDerWaalsContact OG-NH2 3.12Å; S53-S147 WeakPolarHBondContact CB-OG 3.36Å; S53-D148 VanDerWaalsContact CB-OD1 3.23Å; S53-D148 WeakPolarHBondContact CB-OD1 3.3Å; S53-D148 PolarHBondContact N-OD1 3.45Å; S53-D148 PolarHBondContact OG-OD1 3.13Å |
| 54 | S | 93.6 | Very high | 97.1 | Very high | 38 Ų | 38 | 26.4 Ų | 26.4 | 27% | 0.266 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -146.9 | 152.7 | 172.5 | 72.5 | 0 | 0 | 0 | 0 | 109.6 | G52 K56 I57 | G52-S54 PolarHBondContact O-N 3.17Å; S54-K56 PolarHBondContact O-N 3Å; S54-K56 PolarHBondContact OG-N 3.46Å; S54-I57 PolarHBondContact O-N 3.11Å |
| 55 | D | 91.5 | Very high | 97.2 | Very high | 111 Ų | 111 | 23 Ų | 23 | 59% | 0.594 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -5.8 | 175.9 | -66.1 | -42.8 | 0 | 0 | 0 | 113.8 | R51 H58 | R51-D55 WeakPolarHBondContact CD-OD1 3.34Å; R51-D55 IonicContact CZ-OD1 2.69Å; R51-D55 IonicContact NE-OD1 3.37Å; R51-D55 IonicContact NH1-OD1 3.7Å; R51-D55 PolarHBondContact NH1-OD1 3.27Å; D55-H58 PolarHBondContact O-CE1 3.15Å |
| 56 | K | 94.7 | Very high | 97.2 | Very high | 94 Ų | 94 | 22.9 Ų | 22.9 | 41% | 0.409 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -21.4 | 174.2 | -62.4 | -175.2 | -178.7 | 172.6 | 0 | 112.9 | S54 H58 S133 S134 D135 | S54-K56 PolarHBondContact O-N 3Å; S54-K56 PolarHBondContact OG-N 3.46Å; K56-H58 PolarHBondContact O-ND1 3.07Å; K56-S133 CarbonylContact O-C 3.49Å; K56-S133 VanDerWaalsContact O-CA 3.28Å; K56-S133 WeakPolarHBondContact O-CA 3.34Å; K56-S134 VanDerWaalsContact CA-OG 3.3Å; K56-S134 WeakPolarHBondContact CA-OG 3.26Å; K56-S134 VanDerWaalsContact CB-OG 3.3Å; K56-S134 WeakPolarHBondContact CB-OG 3.26Å; K56-S134 PolarHBondContact O-N 3.13Å; K56-S134 PolarHBondContact O-OG 3.25Å; K56-D135 HydrophobicContact CB-CB 4.15Å; K56-D135 HydrophobicContact CD-CB 3.57Å; K56-D135 IonicContact NZ-OD1 2.89Å; K56-D135 PolarHBondContact NZ-OD1 2.89Å |
| 57 | I | 96 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 122.6 | -175.9 | -70.2 | -179.5 | 0 | 0 | 0 | 109.9 | R51 G52 S54 I59 A126 D148 | R51-I57 WeakPolarHBondContact CA-O 3.42Å; G52-I57 PolarHBondContact N-O 3.06Å; S54-I57 PolarHBondContact O-N 3.11Å; I57-I59 HydrophobicContact CG2-CD1 3.8Å; I57-I59 HydrophobicContact CG2-CG1 4.1Å; I57-A126 HydrophobicContact CG2-CB 4.1Å; I57-D148 WeakPolarHBondContact CD1-OD1 3.4Å; I57-D148 VanDerWaalsContact CD1-OD2 3.31Å; I57-D148 WeakPolarHBondContact CD1-OD2 3.43Å; I57-D148 HydrophobicContact CG2-CB 4.47Å |
| 58 | H | 96.9 | Very high | 97 | Very high | 41 Ų | 41 | 29.1 Ų | 29.1 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 103.2 | -176.8 | -61.3 | 78 | 0 | 0 | 0 | 108.9 | Y49 L50 D55 K56 S131 Y132 | Y49-H58 HydrophobicContact CD1-CB 3.95Å; Y49-H58 HydrophobicContact CG-CB 4.44Å; L50-H58 CarbonylContact O-C 3.48Å; L50-H58 WeakPolarHBondContact O-CA 3.42Å; D55-H58 PolarHBondContact O-CE1 3.15Å; K56-H58 PolarHBondContact O-ND1 3.07Å; H58-S131 CarbonylContact O-C 3.3Å; H58-S131 VanDerWaalsContact O-CA 3.3Å; H58-S131 WeakPolarHBondContact O-CA 3.41Å; H58-S131 WeakPolarHBondContact O-CB 3.29Å; H58-Y132 HydrophobicContact CB-CD1 3.94Å; H58-Y132 HydrophobicContact CB-CD2 4.37Å; H58-Y132 HydrophobicContact CB-CE1 3.55Å; H58-Y132 HydrophobicContact CB-CE2 4.03Å; H58-Y132 HydrophobicContact CB-CG 4.32Å; H58-Y132 AromaticContact CD2-CZ 3.96Å; H58-Y132 PolarHBondContact CD2-OH 2.84Å; H58-Y132 AromaticContact CG-CE2 3.79Å; H58-Y132 AromaticContact CG-CZ 3.53Å; H58-Y132 PolarHBondContact N-O 3.38Å; H58-Y132 AromaticContact ND1-CE2 3.63Å; H58-Y132 AromaticContact ND1-CZ 3.87Å; H58-Y132 PolarHBondContact O-N 2.96Å |
| 59 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.4 | 177.3 | -56 | -55 | 0 | 0 | 0 | 108.2 | Y49 L50 I57 L122 A126 S131 A152 | Y49-I59 CarbonylContact C-O 3.58Å; Y49-I59 WeakPolarHBondContact CA-O 3.05Å; L50-I59 PolarHBondContact N-O 3.25Å; L50-I59 PolarHBondContact O-N 2.76Å; I57-I59 HydrophobicContact CG2-CD1 3.8Å; I57-I59 HydrophobicContact CG2-CG1 4.1Å; I59-L122 HydrophobicContact CG2-CB 4.38Å; I59-L122 HydrophobicContact CG2-CD2 4.42Å; I59-A126 HydrophobicContact CD1-CB 4.36Å; I59-S131 WeakPolarHBondContact CA-OG 3.46Å; I59-A152 HydrophobicContact CB-CB 4.34Å; I59-A152 HydrophobicContact CG1-CB 4.33Å |
| 60 | H | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137.1 | 170.3 | 178 | -94.9 | 0 | 0 | 0 | 109.8 | S47 G48 Y49 E123 F130 S131 | S47-H60 PolarHBondContact OG-NE2 3.12Å; G48-H60 WeakPolarHBondContact O-CA 3.35Å; G48-H60 PolarHBondContact O-CD2 2.96Å; G48-H60 VanDerWaalsContact O-CD2 3.25Å; Y49-H60 HydrophobicContact CD1-CB 4.19Å; Y49-H60 HydrophobicContact CE1-CB 3.89Å; H60-E123 HydrophobicContact CB-CB 4.33Å; H60-E123 HydrophobicContact CB-CG 4.48Å; H60-E123 WeakPolarHBondContact CB-OE2 3.46Å; H60-E123 IonicContact CE1-OE2 2.8Å; H60-E123 IonicContact CG-OE2 3.63Å; H60-E123 VanDerWaalsContact CG-OE2 3.31Å; H60-E123 IonicContact ND1-OE2 3.28Å; H60-E123 PolarHBondContact ND1-OE2 2.89Å; H60-E123 PolarHBondContact O-N 3.18Å; H60-F130 HydrophobicContact CB-CB 3.78Å; H60-S131 PolarHBondContact N-OG 2.9Å |
| 61 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.4 | 174.8 | 80.3 | -78.7 | 0 | 0 | 0 | 110.6 | D29 S47 G48 L50 L63 L120 Y121 F160 | D29-Y61 VanDerWaalsContact CB-OH 3.28Å; D29-Y61 WeakPolarHBondContact CB-OH 3.24Å; D29-Y61 WeakPolarHBondContact OD2-CE1 3.32Å; D29-Y61 PolarHBondContact OD2-OH 2.83Å; S47-Y61 VanDerWaalsContact CA-O 3.29Å; S47-Y61 WeakPolarHBondContact CA-O 3.35Å; G48-Y61 PolarHBondContact N-O 2.93Å; G48-Y61 VanDerWaalsContact O-CD1 3.24Å; G48-Y61 WeakPolarHBondContact O-CD1 3.39Å; G48-Y61 PolarHBondContact O-N 3.38Å; L50-Y61 HydrophobicContact CD1-CD1 4.06Å; L50-Y61 HydrophobicContact CD1-CG 3.98Å; L50-Y61 HydrophobicContact CD2-CD1 4.07Å; L50-Y61 HydrophobicContact CD2-CE1 4.11Å; L50-Y61 HydrophobicContact CG-CD1 3.59Å; L50-Y61 HydrophobicContact CG-CE1 4.14Å; L50-Y61 HydrophobicContact CG-CG 4.04Å; Y61-L63 HydrophobicContact CD2-CB 4.13Å; Y61-L63 HydrophobicContact CE2-CB 4.01Å; Y61-L120 HydrophobicContact CD2-CD1 3.47Å; Y61-L120 VanDerWaalsContact CD2-CD1 3.47Å; Y61-L120 HydrophobicContact CE2-CD1 4.42Å; Y61-L120 HydrophobicContact CG-CD1 4.07Å; Y61-Y121 CarbonylContact C-O 3.57Å; Y61-Y121 VanDerWaalsContact CA-O 3.27Å; Y61-Y121 WeakPolarHBondContact CA-O 3.41Å; Y61-F160 AromaticContact CE2-CE2 3.9Å; Y61-F160 HydrophobicContact CE2-CE2 3.9Å; Y61-F160 HydrophobicContact CE2-CZ 4.07Å; Y61-F160 AromaticContact CZ-CE2 3.83Å; Y61-F160 VanDerWaalsContact OH-CE2 3.29Å; Y61-F160 WeakPolarHBondContact OH-CE2 3.27Å; Y61-F160 WeakPolarHBondContact OH-CZ 3.31Å |
| 62 | W | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 111.3 | 164.3 | -161.1 | -36.3 | 0 | 0 | 0 | 108.5 | I31 L34 Y46 L88 L91 Y121 I366 | I31-W62 HydrophobicContact CD1-CD2 4.11Å; I31-W62 HydrophobicContact CD1-CH2 4.36Å; I31-W62 HydrophobicContact CD1-CZ2 3.51Å; L34-W62 HydrophobicContact CD1-CH2 3.77Å; L34-W62 HydrophobicContact CD1-CZ2 3.71Å; Y46-W62 CarbonylContact O-C 3.31Å; Y46-W62 VanDerWaalsContact O-CA 3.31Å; Y46-W62 WeakPolarHBondContact O-CA 3.32Å; W62-L88 HydrophobicContact CB-CD2 3.9Å; W62-L88 HydrophobicContact CD2-CD2 4.4Å; W62-L88 HydrophobicContact CE3-CD1 4.25Å; W62-L88 HydrophobicContact CE3-CD2 3.73Å; W62-L91 HydrophobicContact CB-CD1 3.76Å; W62-L91 HydrophobicContact CD2-CD1 3.57Å; W62-L91 HydrophobicContact CE3-CD1 3.99Å; W62-L91 HydrophobicContact CG-CD1 3.48Å; W62-L91 VanDerWaalsContact CG-CD1 3.48Å; W62-Y121 PolarHBondContact N-O 2.91Å; W62-Y121 WeakPolarHBondContact O-CD2 3.14Å; W62-Y121 PolarHBondContact O-N 2.89Å; W62-I366 HydrophobicContact CE3-CD1 4.5Å; W62-I366 HydrophobicContact CH2-CB 4.35Å; W62-I366 HydrophobicContact CH2-CG2 3.53Å; W62-I366 HydrophobicContact CZ2-CG2 4.1Å; W62-I366 HydrophobicContact CZ3-CB 4.32Å; W62-I366 HydrophobicContact CZ3-CD1 3.93Å; W62-I366 HydrophobicContact CZ3-CG2 3.92Å |
| 63 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.6 | 172.3 | 175.8 | 69.7 | 0 | 0 | 0 | 108.9 | Q45 Y46 Y61 E65 L75 N118 V119 L120 F156 F160 Y163 | Q45-L63 CarbonylContact C-O 3.58Å; Q45-L63 WeakPolarHBondContact CA-O 3.48Å; Q45-L63 VanDerWaalsContact CB-O 3.31Å; Q45-L63 WeakPolarHBondContact CB-O 3.26Å; Y46-L63 HydrophobicContact CD2-CD2 3.97Å; Y46-L63 PolarHBondContact N-O 2.92Å; Y46-L63 PolarHBondContact O-N 3.15Å; Y61-L63 HydrophobicContact CD2-CB 4.13Å; Y61-L63 HydrophobicContact CE2-CB 4.01Å; L63-E65 HydrophobicContact CD2-CG 4.49Å; L63-L75 HydrophobicContact CD1-CD1 4.17Å; L63-N118 HydrophobicContact CD1-CB 4.38Å; L63-V119 WeakPolarHBondContact CA-O 3.48Å; L63-L120 HydrophobicContact CB-CD1 4.06Å; L63-L120 HydrophobicContact CD1-CB 4.24Å; L63-L120 HydrophobicContact CD1-CD1 4.42Å; L63-F156 HydrophobicContact CD1-CE2 4.43Å; L63-F156 HydrophobicContact CD1-CZ 4.44Å; L63-F156 HydrophobicContact CD2-CE2 4.05Å; L63-F156 HydrophobicContact CD2-CZ 4.29Å; L63-F160 HydrophobicContact CD2-CD1 4.09Å; L63-F160 HydrophobicContact CD2-CE1 3.81Å; L63-F160 HydrophobicContact CD2-CZ 4.14Å; L63-Y163 HydrophobicContact CD2-CE2 4.36Å |
| 64 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.2 | 166.4 | -64.3 | 0 | 0 | 0 | 0 | 108.3 | F43 Q45 P97 N114 N118 V119 Y121 | F43-V64 HydrophobicContact CE2-CB 4.11Å; F43-V64 HydrophobicContact CE2-CG1 4.37Å; Q45-V64 HydrophobicContact CB-CG1 4.02Å; V64-P97 HydrophobicContact CB-CG 4.38Å; V64-P97 HydrophobicContact CG1-CG 4.02Å; V64-N114 HydrophobicContact CB-CB 4.48Å; V64-N114 HydrophobicContact CG2-CB 3.82Å; V64-N118 WeakPolarHBondContact O-CA 3.28Å; V64-V119 HydrophobicContact CG2-CB 3.84Å; V64-V119 HydrophobicContact CG2-CG2 4.45Å; V64-V119 PolarHBondContact N-O 3.03Å; V64-V119 PolarHBondContact O-N 2.96Å; V64-Y121 HydrophobicContact CG2-CE2 3.82Å |
| 65 | E | 98.7 | Very high | 97.5 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | trans | -71.7 | 157.6 | -179.6 | -67.6 | -166.3 | 160 | 0 | 0 | 111.4 | K44 Y46 L63 P70 N114 N118 | K44-E65 HydrophobicContact CB-CG 4.26Å; K44-E65 WeakPolarHBondContact CB-OE2 3.43Å; K44-E65 VanDerWaalsContact O-CB 3.32Å; K44-E65 WeakPolarHBondContact O-CB 3.41Å; K44-E65 PolarHBondContact O-N 3.06Å; Y46-E65 HydrophobicContact CE2-CG 4.4Å; L63-E65 HydrophobicContact CD2-CG 4.49Å; E65-P70 HydrophobicContact CB-CB 3.9Å; E65-P70 HydrophobicContact CG-CB 4.47Å; E65-N114 PolarHBondContact O-ND2 3.09Å; E65-N118 VanDerWaalsContact CA-OD1 3.24Å; E65-N118 WeakPolarHBondContact CA-OD1 3.42Å; E65-N118 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 66 | A | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | trans | -60.6 | 140.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S68 P70 A73 N114 A117 N118 | A66-S68 PolarHBondContact O-N 3.17Å; A66-S68 VanDerWaalsContact O-N 3.11Å; A66-P70 HydrophobicContact CB-CB 4.22Å; A66-A73 HydrophobicContact CB-CB 3.46Å; A66-A73 VanDerWaalsContact CB-CB 3.46Å; A66-N114 CarbonylContact C-O 3.54Å; A66-N114 WeakPolarHBondContact CA-O 3.43Å; A66-A117 VanDerWaalsContact CA-O 3.3Å; A66-A117 WeakPolarHBondContact CA-O 3.36Å; A66-A117 WeakPolarHBondContact CB-O 3.34Å; A66-N118 PolarHBondContact N-OD1 2.81Å | ||
| 67 | T | 97.6 | Very high | 98 | Very high | 49 Ų | 49 | 25 Ų | 25 | 30% | 0.301 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -66.8 | -13.3 | 177.5 | 62 | 0 | 0 | 0 | 0 | 113 | F43 N114 K115 | F43-T67 HydrophobicContact CD1-CG2 3.83Å; F43-T67 HydrophobicContact CE1-CG2 4.31Å; F43-T67 HydrophobicContact CG-CG2 4.45Å; T67-N114 PolarHBondContact N-O 3.33Å; T67-K115 HydrophobicContact CG2-CG 4.32Å; T67-K115 WeakPolarHBondContact OG1-CA 3.5Å |
| 68 | S | 96.1 | Very high | 98.2 | Very high | 82 Ų | 82 | 25 Ų | 25 | 57% | 0.573 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -144.2 | 131.1 | 178.9 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | A66 | A66-S68 PolarHBondContact O-N 3.17Å; A66-S68 VanDerWaalsContact O-N 3.11Å |
| 69 | S | 97.1 | Very high | 98.3 | Very high | 64 Ų | 64 | 23.1 Ų | 23.1 | 45% | 0.448 | 14% | 0.143 | S | C | . | . | trans | 47.1 | 51.6 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 114.9 | E71 S72 A73 | S69-E71 WeakPolarHBondContact CA-OE1 3.28Å; S69-E71 PolarHBondContact O-N 2.98Å; S69-E71 VanDerWaalsContact O-N 3.1Å; S69-S72 WeakPolarHBondContact CB-OG 3.35Å; S69-S72 PolarHBondContact O-N 3.48Å; S69-S72 PolarHBondContact O-OG 2.72Å; S69-S72 VanDerWaalsContact O-OG 3.04Å; S69-A73 PolarHBondContact O-N 3.28Å | ||
| 70 | P | 97.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 23.4 Ų | 23.4 | 20% | 0.195 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -28.8 | -177.4 | 25.9 | -36.4 | 0 | 0 | 0 | 113.7 | E65 A66 S72 N118 | E65-P70 HydrophobicContact CB-CB 3.9Å; E65-P70 HydrophobicContact CG-CB 4.47Å; A66-P70 HydrophobicContact CB-CB 4.22Å; P70-S72 PolarHBondContact O-N 2.6Å; P70-N118 WeakPolarHBondContact CB-OD1 3.32Å; P70-N118 PolarHBondContact O-ND2 3.11Å |
| 71 | E | 97.2 | Very high | 98.3 | Very high | 129 Ų | 129 | 23.6 Ų | 23.6 | 60% | 0.603 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.5 | 174.8 | 68.1 | -74.1 | 168.1 | 0 | 0 | 114.6 | S69 R166 | S69-E71 WeakPolarHBondContact CA-OE1 3.28Å; S69-E71 PolarHBondContact O-N 2.98Å; S69-E71 VanDerWaalsContact O-N 3.1Å; E71-R166 VanDerWaalsContact C-NH1 3.28Å; E71-R166 PolarHBondContact O-NH1 2.94Å; E71-R166 PolarHBondContact O-NH2 2.8Å |
| 72 | S | 97.3 | Very high | 98.1 | Very high | 80 Ų | 80 | 23.9 Ų | 23.9 | 56% | 0.559 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -27.4 | 179.4 | 70.3 | 0 | 0 | 0 | 0 | 113 | S69 P70 R166 | S69-S72 WeakPolarHBondContact CB-OG 3.35Å; S69-S72 PolarHBondContact O-N 3.48Å; S69-S72 PolarHBondContact O-OG 2.72Å; S69-S72 VanDerWaalsContact O-OG 3.04Å; P70-S72 PolarHBondContact O-N 2.6Å; S72-R166 VanDerWaalsContact C-NH1 3.29Å; S72-R166 PolarHBondContact O-NH1 3.09Å |
| 73 | A | 98.5 | Very high | 98 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -59.4 | 144.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A66 S69 N118 R166 | A66-A73 HydrophobicContact CB-CB 3.46Å; A66-A73 VanDerWaalsContact CB-CB 3.46Å; S69-A73 PolarHBondContact O-N 3.28Å; A73-N118 PolarHBondContact O-ND2 2.8Å; A73-R166 VanDerWaalsContact O-CD 3.26Å; A73-R166 WeakPolarHBondContact O-CD 3.32Å |
| 74 | P | 98.7 | Very high | 97.9 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | trans | -63.5 | 167.2 | -179.2 | 29.2 | -36.5 | 0 | 0 | 0 | 112.4 | A117 N118 R167 F169 I495 | P74-A117 HydrophobicContact CG-CB 3.96Å; P74-N118 PolarHBondContact O-N 2.84Å; P74-N118 PolarHBondContact O-ND2 3.3Å; P74-R167 WeakPolarHBondContact CA-O 3.38Å; P74-R167 HydrophobicContact CB-CB 4.02Å; P74-R167 WeakPolarHBondContact CB-O 3.41Å; P74-F169 HydrophobicContact CB-CD2 4.03Å; P74-F169 HydrophobicContact CB-CE2 3.79Å; P74-F169 HydrophobicContact CG-CE2 4.44Å; P74-I495 HydrophobicContact CG-CD1 4.44Å; P74-I495 HydrophobicContact CG-CG1 4.49Å; P74-I495 HydrophobicContact CG-CG2 3.72Å | ||
| 75 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.7 | 171.6 | -178.7 | 64.4 | 0 | 0 | 0 | 109.6 | L63 N118 L120 F156 Y163 R166 R167 L168 F169 F193 | L63-L75 HydrophobicContact CD1-CD1 4.17Å; L75-N118 CarbonylContact C-O 3.53Å; L75-N118 WeakPolarHBondContact CA-O 3.13Å; L75-N118 HydrophobicContact CD1-CB 4.16Å; L75-L120 HydrophobicContact CD1-CB 4.02Å; L75-F156 HydrophobicContact CD1-CZ 4.45Å; L75-F156 HydrophobicContact CD2-CD1 4.39Å; L75-F156 HydrophobicContact CD2-CE1 3.69Å; L75-F156 HydrophobicContact CD2-CZ 4.24Å; L75-Y163 HydrophobicContact CB-CD1 4.22Å; L75-Y163 HydrophobicContact CB-CE1 4.48Å; L75-Y163 HydrophobicContact CD1-CD1 4.28Å; L75-Y163 HydrophobicContact CD1-CE1 4.08Å; L75-Y163 HydrophobicContact CD2-CD1 4.23Å; L75-Y163 HydrophobicContact CG-CD1 4.49Å; L75-R166 HydrophobicContact CB-CG 3.95Å; L75-R167 PolarHBondContact N-O 3.48Å; L75-L168 HydrophobicContact CB-CD1 4.23Å; L75-L168 HydrophobicContact CD2-CD1 3.99Å; L75-L168 HydrophobicContact CG-CD1 4.05Å; L75-L168 WeakPolarHBondContact O-CA 3.2Å; L75-F169 PolarHBondContact O-N 3.24Å; L75-F193 HydrophobicContact CD2-CE1 4.08Å |
| 76 | I | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.6 | 165.9 | -69.8 | 171.1 | 0 | 0 | 0 | 108.2 | W113 A117 N118 V119 L120 F169 T171 I491 I495 | I76-W113 HydrophobicContact CD1-CE3 4.11Å; I76-W113 HydrophobicContact CG2-CE3 4.28Å; I76-W113 HydrophobicContact CG2-CZ3 4.4Å; I76-A117 HydrophobicContact CD1-CB 3.68Å; I76-A117 HydrophobicContact CG1-CB 3.91Å; I76-N118 PolarHBondContact N-O 3.09Å; I76-V119 HydrophobicContact CB-CG1 4.34Å; I76-V119 HydrophobicContact CB-CG2 4.43Å; I76-V119 HydrophobicContact CG2-CG1 4.19Å; I76-V119 CarbonylContact O-C 2.99Å; I76-V119 WeakPolarHBondContact O-CA 3.31Å; I76-L120 PolarHBondContact O-N 2.82Å; I76-F169 CarbonylContact C-O 3.42Å; I76-F169 WeakPolarHBondContact CA-O 3.26Å; I76-F169 HydrophobicContact CG1-CB 4.01Å; I76-T171 HydrophobicContact CG2-CG2 3.86Å; I76-T171 VanDerWaalsContact CG2-OG1 3.24Å; I76-T171 WeakPolarHBondContact CG2-OG1 3.33Å; I76-I491 HydrophobicContact CD1-CG2 3.98Å; I76-I495 HydrophobicContact CD1-CD1 3.56Å; I76-I495 HydrophobicContact CD1-CG1 4.32Å; I76-I495 HydrophobicContact CG1-CD1 4.41Å |
| 77 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 130.8 | 164.3 | 178.2 | 0 | 0 | 0 | 0 | 108 | L79 L120 L122 L153 L168 F169 T171 | V77-L79 HydrophobicContact CG1-CG 4.43Å; V77-L120 WeakPolarHBondContact CA-O 3.32Å; V77-L120 HydrophobicContact CG2-CD2 4.38Å; V77-L122 HydrophobicContact CG1-CD1 3.92Å; V77-L122 HydrophobicContact CG1-CG 4.38Å; V77-L153 HydrophobicContact CG2-CD1 4.42Å; V77-L153 HydrophobicContact CG2-CD2 3.79Å; V77-L168 HydrophobicContact CG2-CD1 3.78Å; V77-F169 PolarHBondContact N-O 3.42Å; V77-T171 CarbonylContact O-C 3.49Å; V77-T171 WeakPolarHBondContact O-CA 3.18Å; V77-T171 PolarHBondContact O-N 2.62Å; V77-T171 VanDerWaalsContact O-O 3.07Å; V77-T171 PolarHBondContact O-OG1 2.83Å |
| 78 | W | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.2 | 177.4 | 178 | -88 | 0 | 0 | 0 | 111.4 | N80 N95 W113 V119 L120 Y121 L122 T171 E173 P480 | W78-N80 PolarHBondContact NE1-OD1 2.86Å; W78-N95 VanDerWaalsContact CH2-ND2 3.31Å; W78-N95 WeakPolarHBondContact CH2-ND2 3.45Å; W78-N95 WeakPolarHBondContact CZ2-ND2 3.27Å; W78-N95 WeakPolarHBondContact CZ3-ND2 3.14Å; W78-W113 HydrophobicContact CE3-CE3 4.42Å; W78-W113 AromaticContact CE3-CH2 3.86Å; W78-W113 HydrophobicContact CE3-CH2 3.86Å; W78-W113 AromaticContact CE3-CZ3 3.66Å; W78-W113 HydrophobicContact CE3-CZ3 3.66Å; W78-W113 HydrophobicContact CH2-CH2 4.38Å; W78-W113 AromaticContact CZ3-CH2 3.39Å; W78-W113 HydrophobicContact CZ3-CH2 3.39Å; W78-W113 HydrophobicContact CZ3-CZ2 4.12Å; W78-W113 AromaticContact CZ3-CZ3 3.71Å; W78-W113 HydrophobicContact CZ3-CZ3 3.71Å; W78-V119 HydrophobicContact CB-CG1 4.38Å; W78-L120 PolarHBondContact N-O 2.83Å; W78-Y121 HydrophobicContact CB-CD1 3.88Å; W78-Y121 HydrophobicContact CB-CE1 4.06Å; W78-Y121 AromaticContact CD1-CD1 3.42Å; W78-Y121 VanDerWaalsContact CD1-CD1 3.42Å; W78-Y121 AromaticContact CD1-CE1 3.75Å; W78-Y121 AromaticContact CG-CD1 3.82Å; W78-Y121 HydrophobicContact CG-CD1 3.82Å; W78-Y121 AromaticContact CG-CE1 3.88Å; W78-Y121 HydrophobicContact CG-CE1 3.88Å; W78-L122 PolarHBondContact O-N 2.88Å; W78-T171 WeakPolarHBondContact CA-O 3.39Å; W78-E173 HydrophobicContact CH2-CB 4.18Å; W78-E173 HydrophobicContact CZ2-CB 4.22Å; W78-P480 HydrophobicContact CH2-CG 4.2Å |
| 79 | L | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 119.2 | 179.1 | -63 | 172.8 | 0 | 0 | 0 | 110.3 | V77 S87 L122 A124 T171 G172 E173 A176 V180 L183 | V77-L79 HydrophobicContact CG1-CG 4.43Å; L79-S87 WeakPolarHBondContact CA-OG 3.47Å; L79-L122 HydrophobicContact CD2-CB 3.83Å; L79-A124 HydrophobicContact CD2-CB 4.46Å; L79-T171 PolarHBondContact N-O 2.63Å; L79-G172 CarbonylContact O-C 3.59Å; L79-G172 WeakPolarHBondContact O-CA 3.43Å; L79-E173 PolarHBondContact O-N 2.99Å; L79-A176 HydrophobicContact CB-CB 4Å; L79-A176 VanDerWaalsContact O-CB 3.23Å; L79-A176 WeakPolarHBondContact O-CB 3.23Å; L79-V180 HydrophobicContact CD1-CG2 4.45Å; L79-L183 HydrophobicContact CD1-CD2 4.19Å |
| 80 | N | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 14.1 Ų | 14.1 | 3% | 0.032 | 8% | 0.084 | C | C | . | . | trans | -76.5 | 170.2 | 162.4 | -76.1 | 79.6 | 0 | 0 | 0 | 110.3 | W78 S87 G90 E94 | W78-N80 PolarHBondContact NE1-OD1 2.86Å; N80-S87 PolarHBondContact N-OG 3.08Å; N80-S87 VanDerWaalsContact OD1-CA 3.27Å; N80-S87 WeakPolarHBondContact OD1-CA 3.48Å; N80-G90 PolarHBondContact OD1-N 2.87Å; N80-E94 PolarHBondContact ND2-OE1 2.62Å | ||
| 81 | G | 97.7 | Very high | 98 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | trans | -103 | -114.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P83 G84 C85 E173 | G81-P83 CarbonylContact O-C 3.44Å; G81-P83 WeakPolarHBondContact O-CA 3.4Å; G81-G84 PolarHBondContact O-N 3.47Å; G81-C85 PolarHBondContact O-N 3.16Å; G81-E173 PolarHBondContact N-O 3.26Å | ||
| 82 | G | 95.2 | Very high | 98.1 | Very high | 6 Ų | 6 | 6.9 Ų | 6.9 | 6% | 0.062 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | -92.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C85 F315 N317 | G82-C85 VanDerWaalsContact CA-SG 3.53Å; G82-F315 WeakPolarHBondContact O-CD1 3.23Å; G82-N317 PolarHBondContact O-ND2 3.17Å |
| 83 | P | 96 | Very high | 98 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -69.5 | 150.9 | 7.1 | 29.6 | -35.5 | 0 | 0 | 0 | 112.4 | G81 Y175 Y179 N384 Y387 | G81-P83 CarbonylContact O-C 3.44Å; G81-P83 WeakPolarHBondContact O-CA 3.4Å; P83-Y175 HydrophobicContact CB-CD1 3.85Å; P83-Y175 HydrophobicContact CB-CD2 4.48Å; P83-Y175 HydrophobicContact CB-CE1 4.02Å; P83-Y175 HydrophobicContact CB-CG 4.11Å; P83-Y175 HydrophobicContact CG-CD1 4.47Å; P83-Y175 HydrophobicContact CG-CD2 4.31Å; P83-Y175 HydrophobicContact CG-CE1 4.44Å; P83-Y175 HydrophobicContact CG-CE2 4.21Å; P83-Y175 HydrophobicContact CG-CG 4.43Å; P83-Y179 VanDerWaalsContact CA-OH 3.31Å; P83-Y179 WeakPolarHBondContact CA-OH 3.41Å; P83-Y179 WeakPolarHBondContact CB-OH 3.34Å; P83-N384 WeakPolarHBondContact O-CB 3.27Å; P83-N384 PolarHBondContact O-ND2 2.82Å; P83-Y387 HydrophobicContact CB-CD1 3.94Å; P83-Y387 HydrophobicContact CB-CD2 3.85Å; P83-Y387 HydrophobicContact CB-CE1 4.21Å; P83-Y387 HydrophobicContact CB-CE2 4.16Å; P83-Y387 HydrophobicContact CB-CG 3.76Å; P83-Y387 HydrophobicContact CG-CD1 3.83Å; P83-Y387 HydrophobicContact CG-CD2 4.28Å; P83-Y387 HydrophobicContact CG-CG 3.71Å |
| 84 | G | 96.5 | Very high | 98 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | 11.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | G81 V128 C379 S380 | G81-G84 PolarHBondContact O-N 3.47Å; G84-V128 WeakPolarHBondContact O-CG2 3.45Å; G84-C379 CarbonylContact O-C 3.59Å; G84-C379 VanDerWaalsContact O-CA 3.26Å; G84-C379 WeakPolarHBondContact O-CA 3.34Å; G84-S380 PolarHBondContact O-N 3.01Å |
| 85 | C | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 3.2 Ų | 3.2 | 3% | 0.034 | 2% | 0.02 | C | C | . | . | B | Isolated β-bridge | trans | -99 | 145.6 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | G81 G82 V128 F315 V378 C379 | G81-C85 PolarHBondContact O-N 3.16Å; G82-C85 VanDerWaalsContact CA-SG 3.53Å; C85-V128 VanDerWaalsContact C-CG1 3.41Å; C85-V128 WeakPolarHBondContact O-CG1 3.35Å; C85-F315 WeakPolarHBondContact SG-CE1 3.5Å; C85-V378 CarbonylContact C-O 3.6Å; C85-V378 WeakPolarHBondContact CA-O 3.49Å; C85-C379 HydrophobicContact CB-CB 4.14Å; C85-C379 WeakPolarHBondContact CB-SG 3.37Å; C85-C379 WeakPolarHBondContact SG-CB 3.49Å; C85-C379 CovalentContact SG-SG 2.05Å; C85-C379 PolarHBondContact SG-SG 2.92Å |
| 86 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.02 | C | C | . | . | trans | -76.7 | 136.2 | -172.9 | 165.1 | 0 | 0 | 0 | 0 | 112.6 | L88 E89 E123 W376 V378 | S86-L88 PolarHBondContact O-N 3.28Å; S86-L88 WeakPolarHBondContact OG-CB 3.38Å; S86-L88 PolarHBondContact OG-N 3.06Å; S86-E89 WeakPolarHBondContact O-CB 3.16Å; S86-E89 PolarHBondContact O-N 3.08Å; S86-E123 WeakPolarHBondContact CB-OE1 3.34Å; S86-E123 PolarHBondContact OG-OE1 3.33Å; S86-W376 WeakPolarHBondContact OG-CZ2 3.37Å; S86-V378 PolarHBondContact N-O 3.45Å | ||
| 87 | S | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 3.5 Ų | 3.5 | 1% | 0.007 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -7.6 | 172.1 | -58.9 | 0 | 0 | 0 | 0 | 114.5 | L79 N80 G90 L91 Y121 L122 | L79-S87 WeakPolarHBondContact CA-OG 3.47Å; N80-S87 PolarHBondContact N-OG 3.08Å; N80-S87 VanDerWaalsContact OD1-CA 3.27Å; N80-S87 WeakPolarHBondContact OD1-CA 3.48Å; S87-G90 PolarHBondContact O-N 3.46Å; S87-L91 PolarHBondContact O-N 3.01Å; S87-Y121 WeakPolarHBondContact O-CD1 3.46Å; S87-L122 WeakPolarHBondContact CB-O 3.43Å; S87-L122 PolarHBondContact OG-O 2.82Å |
| 88 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -75.3 | -16.1 | 171.2 | -59.3 | -173.1 | 0 | 0 | 0 | 112.2 | W62 S86 L91 L92 E123 F130 L357 W376 | W62-L88 HydrophobicContact CB-CD2 3.9Å; W62-L88 HydrophobicContact CD2-CD2 4.4Å; W62-L88 HydrophobicContact CE3-CD1 4.25Å; W62-L88 HydrophobicContact CE3-CD2 3.73Å; S86-L88 PolarHBondContact O-N 3.28Å; S86-L88 WeakPolarHBondContact OG-CB 3.38Å; S86-L88 PolarHBondContact OG-N 3.06Å; L88-L91 HydrophobicContact CD2-CB 4.48Å; L88-L91 HydrophobicContact CD2-CD1 4.08Å; L88-L91 PolarHBondContact O-N 3.15Å; L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 WeakPolarHBondContact O-CG 3.13Å; L88-L92 PolarHBondContact O-N 3.47Å; L88-E123 HydrophobicContact CD1-CG 4.41Å; L88-E123 WeakPolarHBondContact CD1-OE1 3.46Å; L88-E123 HydrophobicContact CG-CG 3.87Å; L88-E123 WeakPolarHBondContact CG-OE1 3.45Å; L88-F130 HydrophobicContact CD1-CD2 3.98Å; L88-F130 HydrophobicContact CD1-CE2 3.96Å; L88-L357 HydrophobicContact CB-CD1 4.11Å; L88-L357 HydrophobicContact CD1-CD1 4.02Å; L88-L357 HydrophobicContact CD1-CD2 4.29Å; L88-W376 HydrophobicContact CB-CZ2 4.38Å |
| 89 | E | 97.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 5.9 Ų | 5.9 | 5% | 0.051 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -59.4 | -51.8 | 164.9 | -175.9 | 179.3 | -162.6 | 0 | 0 | 110.3 | S86 L91 L92 T93 M345 I353 R481 | S86-E89 WeakPolarHBondContact O-CB 3.16Å; S86-E89 PolarHBondContact O-N 3.08Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.41Å; E89-L92 PolarHBondContact O-N 2.95Å; E89-T93 WeakPolarHBondContact CG-OG1 3.43Å; E89-T93 WeakPolarHBondContact O-CB 3.36Å; E89-T93 PolarHBondContact O-N 3.24Å; E89-T93 PolarHBondContact O-OG1 3.25Å; E89-M345 WeakPolarHBondContact OE1-CE 3.44Å; E89-M345 VanDerWaalsContact OE1-SD 3.41Å; E89-M345 VanDerWaalsContact OE2-SD 3.37Å; E89-I353 HydrophobicContact CB-CD1 4.48Å; E89-R481 IonicContact OE1-NH2 3.33Å; E89-R481 PolarHBondContact OE1-NH2 3Å |
| 90 | G | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.6 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N80 S87 E94 N95 | N80-G90 PolarHBondContact OD1-N 2.87Å; S87-G90 PolarHBondContact O-N 3.46Å; G90-E94 WeakPolarHBondContact CA-OE1 3.41Å; G90-E94 PolarHBondContact N-OE1 2.82Å; G90-E94 CarbonylContact O-C 3.51Å; G90-E94 WeakPolarHBondContact O-CA 3.19Å; G90-E94 WeakPolarHBondContact O-CB 3.41Å; G90-E94 PolarHBondContact O-N 2.92Å; G90-E94 VanDerWaalsContact O-N 3.12Å; G90-N95 PolarHBondContact O-N 3.2Å; G90-N95 PolarHBondContact O-OD1 3.48Å |
| 91 | L | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.8 | -50.6 | 176.6 | -168 | 159.4 | 0 | 0 | 0 | 111.7 | W62 S87 L88 E89 G96 Y121 | W62-L91 HydrophobicContact CB-CD1 3.76Å; W62-L91 HydrophobicContact CD2-CD1 3.57Å; W62-L91 HydrophobicContact CE3-CD1 3.99Å; W62-L91 HydrophobicContact CG-CD1 3.48Å; W62-L91 VanDerWaalsContact CG-CD1 3.48Å; S87-L91 PolarHBondContact O-N 3.01Å; L88-L91 HydrophobicContact CD2-CB 4.48Å; L88-L91 HydrophobicContact CD2-CD1 4.08Å; L88-L91 PolarHBondContact O-N 3.15Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.41Å; L91-G96 WeakPolarHBondContact O-CA 3.47Å; L91-G96 PolarHBondContact O-N 3.15Å; L91-Y121 HydrophobicContact CB-CD1 3.75Å; L91-Y121 HydrophobicContact CB-CD2 4.19Å; L91-Y121 HydrophobicContact CB-CE1 3.79Å; L91-Y121 HydrophobicContact CB-CE2 4.21Å; L91-Y121 HydrophobicContact CB-CG 3.98Å; L91-Y121 HydrophobicContact CD1-CD2 3.61Å; L91-Y121 HydrophobicContact CD1-CE2 3.93Å; L91-Y121 HydrophobicContact CD1-CG 3.98Å; L91-Y121 HydrophobicContact CG-CD1 4.49Å; L91-Y121 HydrophobicContact CG-CD2 4.06Å; L91-Y121 HydrophobicContact CG-CE1 4.41Å; L91-Y121 HydrophobicContact CG-CE2 3.95Å; L91-Y121 HydrophobicContact CG-CG 4.34Å |
| 92 | L | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -94.3 | -8.1 | -167.2 | -64.4 | 172.1 | 0 | 0 | 0 | 114.1 | L88 E89 L99 L100 L106 I353 Y356 L357 | L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 WeakPolarHBondContact O-CG 3.13Å; L88-L92 PolarHBondContact O-N 3.47Å; E89-L92 PolarHBondContact O-N 2.95Å; L92-L99 CarbonylContact O-C 3.54Å; L92-L99 VanDerWaalsContact O-CA 3.27Å; L92-L99 WeakPolarHBondContact O-CA 3.31Å; L92-L100 HydrophobicContact CB-CD1 4.06Å; L92-L100 HydrophobicContact CB-CG 4.3Å; L92-L100 HydrophobicContact CD1-CD1 4.02Å; L92-L100 HydrophobicContact CG-CD1 4.47Å; L92-L100 PolarHBondContact O-N 3.37Å; L92-L106 HydrophobicContact CD2-CD2 3.89Å; L92-I353 HydrophobicContact CB-CD1 4.07Å; L92-I353 HydrophobicContact CD1-CD1 4.03Å; L92-I353 HydrophobicContact CD1-CG1 4Å; L92-Y356 HydrophobicContact CD1-CD1 4.24Å; L92-Y356 HydrophobicContact CD1-CE1 4.41Å; L92-L357 HydrophobicContact CD1-CD1 3.94Å; L92-L357 HydrophobicContact CD1-CD2 3.92Å; L92-L357 HydrophobicContact CD1-CG 4.02Å |
| 93 | T | 96.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -136.5 | -7.2 | -174.6 | 74.8 | 0 | 0 | 0 | 0 | 114.5 | E89 I353 R481 | E89-T93 WeakPolarHBondContact CG-OG1 3.43Å; E89-T93 WeakPolarHBondContact O-CB 3.36Å; E89-T93 PolarHBondContact O-N 3.24Å; E89-T93 PolarHBondContact O-OG1 3.25Å; T93-I353 HydrophobicContact CG2-CD1 4.26Å; T93-R481 WeakPolarHBondContact O-CB 3.36Å; T93-R481 WeakPolarHBondContact O-CG 3.42Å; T93-R481 PolarHBondContact O-NE 3.24Å; T93-R481 PolarHBondContact OG1-NH2 3.03Å |
| 94 | E | 98.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -84.8 | -175.7 | -49.1 | 180 | -116.4 | 0 | 0 | 112 | N80 G90 N109 M478 P480 R481 | N80-E94 PolarHBondContact ND2-OE1 2.62Å; G90-E94 WeakPolarHBondContact CA-OE1 3.41Å; G90-E94 PolarHBondContact N-OE1 2.82Å; G90-E94 CarbonylContact O-C 3.51Å; G90-E94 WeakPolarHBondContact O-CA 3.19Å; G90-E94 WeakPolarHBondContact O-CB 3.41Å; G90-E94 PolarHBondContact O-N 2.92Å; G90-E94 VanDerWaalsContact O-N 3.12Å; E94-N109 PolarHBondContact O-ND2 3.11Å; E94-M478 HydrophobicContact CG-CB 4.32Å; E94-P480 HydrophobicContact CB-CB 4.01Å; E94-P480 HydrophobicContact CB-CG 4.15Å; E94-R481 HydrophobicContact CG-CB 4.34Å |
| 95 | N | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -117.4 | 2.7 | -164.2 | 58.2 | 28.8 | 0 | 0 | 0 | 114.7 | W78 G90 S112 W113 Y121 P480 | W78-N95 VanDerWaalsContact CH2-ND2 3.31Å; W78-N95 WeakPolarHBondContact CH2-ND2 3.45Å; W78-N95 WeakPolarHBondContact CZ2-ND2 3.27Å; W78-N95 WeakPolarHBondContact CZ3-ND2 3.14Å; G90-N95 PolarHBondContact O-N 3.2Å; G90-N95 PolarHBondContact O-OD1 3.48Å; N95-S112 WeakPolarHBondContact O-CA 3.43Å; N95-S112 PolarHBondContact O-OG 3.2Å; N95-W113 HydrophobicContact CB-CD2 3.85Å; N95-W113 HydrophobicContact CB-CG 3.79Å; N95-W113 HydrophobicContact CB-CZ2 4.31Å; N95-W113 PolarHBondContact O-N 3.33Å; N95-Y121 VanDerWaalsContact OD1-CE1 3.26Å; N95-Y121 WeakPolarHBondContact OD1-CE1 3.35Å; N95-Y121 PolarHBondContact OD1-OH 3.04Å; N95-P480 HydrophobicContact CB-CB 3.83Å; N95-P480 HydrophobicContact CB-CG 4.23Å |
| 96 | G | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -75.9 | 171.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L91 Y98 N109 S112 Y121 | L91-G96 WeakPolarHBondContact O-CA 3.47Å; L91-G96 PolarHBondContact O-N 3.15Å; G96-Y98 VanDerWaalsContact C-N 3.28Å; G96-Y98 PolarHBondContact O-N 3.41Å; G96-N109 WeakPolarHBondContact O-CB 3.47Å; G96-N109 PolarHBondContact O-ND2 3.13Å; G96-S112 VanDerWaalsContact C-OG 3.28Å; G96-Y121 VanDerWaalsContact CA-OH 3.27Å; G96-Y121 WeakPolarHBondContact CA-OH 3.36Å; G96-Y121 PolarHBondContact N-OH 2.85Å |
| 97 | P | 98.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -69 | -23.3 | -172.9 | 24.8 | -33.4 | 0 | 0 | 0 | 114.5 | F43 V64 N109 S112 | F43-P97 HydrophobicContact CE1-CB 4Å; F43-P97 HydrophobicContact CE2-CB 4.26Å; F43-P97 HydrophobicContact CE2-CG 4.04Å; F43-P97 HydrophobicContact CZ-CB 3.37Å; F43-P97 HydrophobicContact CZ-CG 3.58Å; V64-P97 HydrophobicContact CB-CG 4.38Å; V64-P97 HydrophobicContact CG1-CG 4.02Å; P97-N109 PolarHBondContact O-N 3.03Å; P97-S112 VanDerWaalsContact CA-OG 3.26Å; P97-S112 WeakPolarHBondContact CA-OG 3.34Å |
| 98 | Y | 97.6 | Very high | 94 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 8% | 0.078 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 132 | 178 | -57.4 | -90.5 | 0 | 0 | 0 | 110.3 | L34 A37 P41 F43 G96 V107 E108 | L34-Y98 HydrophobicContact CD2-CD2 4.18Å; A37-Y98 HydrophobicContact CB-CD1 4.36Å; A37-Y98 HydrophobicContact CB-CE1 4.41Å; P41-Y98 VanDerWaalsContact CA-OH 3.26Å; P41-Y98 WeakPolarHBondContact CA-OH 3.19Å; P41-Y98 HydrophobicContact CB-CE2 3.93Å; P41-Y98 HydrophobicContact CG-CD2 4.43Å; P41-Y98 HydrophobicContact CG-CE2 3.51Å; F43-Y98 HydrophobicContact CE1-CE2 4.14Å; F43-Y98 AromaticContact CZ-CE2 3.79Å; F43-Y98 HydrophobicContact CZ-CE2 3.79Å; G96-Y98 VanDerWaalsContact C-N 3.28Å; G96-Y98 PolarHBondContact O-N 3.41Å; Y98-V107 CarbonylContact C-O 3.55Å; Y98-V107 VanDerWaalsContact CA-O 3.24Å; Y98-V107 WeakPolarHBondContact CA-O 3.5Å; Y98-E108 HydrophobicContact CD1-CB 4.18Å; Y98-E108 HydrophobicContact CE1-CB 4.04Å; Y98-E108 HydrophobicContact CE1-CG 4.34Å |
| 99 | L | 96.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 40 Ų | 40 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 141.3 | -179.7 | -52.7 | 179.7 | 0 | 0 | 0 | 110.7 | L92 V107 N109 | L92-L99 CarbonylContact O-C 3.54Å; L92-L99 VanDerWaalsContact O-CA 3.27Å; L92-L99 WeakPolarHBondContact O-CA 3.31Å; L99-V107 PolarHBondContact N-O 3.27Å; L99-V107 PolarHBondContact O-N 3.44Å; L99-N109 HydrophobicContact CD1-CB 4.35Å; L99-N109 HydrophobicContact CG-CB 4.06Å |
| 100 | L | 94.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.2 | 169 | -74.2 | 171.5 | 0 | 0 | 0 | 109.1 | L92 L106 L352 I353 Y356 | L92-L100 HydrophobicContact CB-CD1 4.06Å; L92-L100 HydrophobicContact CB-CG 4.3Å; L92-L100 HydrophobicContact CD1-CD1 4.02Å; L92-L100 HydrophobicContact CG-CD1 4.47Å; L92-L100 PolarHBondContact O-N 3.37Å; L100-L106 HydrophobicContact CD2-CD2 3.49Å; L100-L106 VanDerWaalsContact CD2-CD2 3.49Å; L100-L106 HydrophobicContact CD2-CG 4.09Å; L100-L106 HydrophobicContact CG-CD2 3.67Å; L100-L352 HydrophobicContact CB-CD2 3.87Å; L100-L352 HydrophobicContact CB-CG 4.29Å; L100-I353 HydrophobicContact CD1-CB 3.99Å; L100-I353 HydrophobicContact CD1-CG1 4.12Å; L100-Y356 HydrophobicContact CD1-CD1 4.02Å; L100-Y356 HydrophobicContact CD1-CG 4.01Å; L100-Y356 HydrophobicContact CD2-CD1 4.28Å; L100-Y356 HydrophobicContact CD2-CD2 3.82Å; L100-Y356 HydrophobicContact CD2-CE2 4.27Å; L100-Y356 HydrophobicContact CD2-CG 3.84Å |
| 101 | Q | 82.3 | Confident | 93.8 | Very high | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -50.2 | -179.7 | -68.6 | -173 | -12.6 | 0 | 0 | 112.7 | V107 | Q101-V107 HydrophobicContact CB-CG2 4.29Å; Q101-V107 HydrophobicContact CG-CB 4.28Å; Q101-V107 HydrophobicContact CG-CG2 4.19Å |
| 102 | E | 79.2 | Confident | 93.8 | Very high | 146 Ų | 146 | 44.7 Ų | 44.7 | 68% | 0.682 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 121.5 | -174.8 | -67.2 | -178.3 | 173.9 | 0 | 0 | 111 | R105 | E102-R105 WeakPolarHBondContact O-CB 3.3Å; E102-R105 PolarHBondContact O-N 3.24Å |
| 103 | G | 77.9 | Confident | 93.8 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -145.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R105 L352 | G103-R105 PolarHBondContact O-N 3.2Å; G103-R105 VanDerWaalsContact O-N 3.1Å; G103-L352 WeakPolarHBondContact O-CD1 3.24Å |
| 104 | P | 85.2 | Confident | 93.9 | Very high | 99 Ų | 99 | 43.5 Ų | 43.5 | 64% | 0.643 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 14.7 | 179.2 | 35 | -36.7 | 0 | 0 | 0 | 113.2 | G36 Y356 | G36-P104 WeakPolarHBondContact CA-O 3.45Å; P104-Y356 HydrophobicContact CB-CD2 4.49Å |
| 105 | R | 93 | Very high | 93.9 | Very high | 154 Ų | 154 | 46.8 Ų | 46.8 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127.4 | -175.4 | -173.2 | -178.2 | 176.5 | -177.5 | -2 | 110.9 | E102 G103 V107 | E102-R105 WeakPolarHBondContact O-CB 3.3Å; E102-R105 PolarHBondContact O-N 3.24Å; G103-R105 PolarHBondContact O-N 3.2Å; G103-R105 VanDerWaalsContact O-N 3.1Å; R105-V107 HydrophobicContact CG-CG2 4.33Å |
| 106 | L | 95.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.3 | 170.9 | -75.4 | 175.4 | 0 | 0 | 0 | 109.7 | L34 G36 A37 L92 L100 Y356 | L34-L106 HydrophobicContact CD1-CD1 4.17Å; L34-L106 HydrophobicContact CD2-CD1 3.77Å; L34-L106 HydrophobicContact CG-CD1 3.74Å; G36-L106 PolarHBondContact O-N 3.18Å; A37-L106 HydrophobicContact CB-CB 4.17Å; A37-L106 HydrophobicContact CB-CD1 4.19Å; L92-L106 HydrophobicContact CD2-CD2 3.89Å; L100-L106 HydrophobicContact CD2-CD2 3.49Å; L100-L106 VanDerWaalsContact CD2-CD2 3.49Å; L100-L106 HydrophobicContact CD2-CG 4.09Å; L100-L106 HydrophobicContact CG-CD2 3.67Å; L106-Y356 HydrophobicContact CD1-CE2 4.41Å; L106-Y356 WeakPolarHBondContact CD1-OH 3.27Å; L106-Y356 HydrophobicContact CG-CE2 4.45Å |
| 107 | V | 95.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 21% | 0.212 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.4 | -178.9 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | Y98 L99 Q101 R105 N109 | Y98-V107 CarbonylContact C-O 3.55Å; Y98-V107 VanDerWaalsContact CA-O 3.24Å; Y98-V107 WeakPolarHBondContact CA-O 3.5Å; L99-V107 PolarHBondContact N-O 3.27Å; L99-V107 PolarHBondContact O-N 3.44Å; Q101-V107 HydrophobicContact CB-CG2 4.29Å; Q101-V107 HydrophobicContact CG-CB 4.28Å; Q101-V107 HydrophobicContact CG-CG2 4.19Å; R105-V107 HydrophobicContact CG-CG2 4.33Å; V107-N109 PolarHBondContact O-N 3.46Å |
| 108 | E | 96 | Very high | 93.9 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 132.6 | -179.8 | -172.8 | -174.3 | 169.4 | 0 | 0 | 111.2 | Y98 P110 K115 | Y98-E108 HydrophobicContact CD1-CB 4.18Å; Y98-E108 HydrophobicContact CE1-CB 4.04Å; Y98-E108 HydrophobicContact CE1-CG 4.34Å; E108-P110 WeakPolarHBondContact O-CD 3.47Å; E108-K115 IonicContact OE1-NZ 3.48Å |
| 109 | N | 96.9 | Very high | 94 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | trans | -89.7 | 109.2 | 174.1 | -173.8 | -3.3 | 0 | 0 | 0 | 110.4 | E94 G96 P97 L99 V107 Y111 S112 K115 | E94-N109 PolarHBondContact O-ND2 3.11Å; G96-N109 WeakPolarHBondContact O-CB 3.47Å; G96-N109 PolarHBondContact O-ND2 3.13Å; P97-N109 PolarHBondContact O-N 3.03Å; L99-N109 HydrophobicContact CD1-CB 4.35Å; L99-N109 HydrophobicContact CG-CB 4.06Å; V107-N109 PolarHBondContact O-N 3.46Å; N109-Y111 PolarHBondContact O-N 2.95Å; N109-Y111 VanDerWaalsContact O-N 3.09Å; N109-Y111 PolarHBondContact OD1-N 3.31Å; N109-S112 PolarHBondContact O-N 3.02Å; N109-S112 PolarHBondContact OD1-N 3.34Å; N109-K115 WeakPolarHBondContact O-CE 3.44Å | ||
| 110 | P | 96.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.9 | 177.7 | 28.4 | -34.5 | 0 | 0 | 0 | 113.4 | E108 K115 | E108-P110 WeakPolarHBondContact O-CD 3.47Å; P110-K115 VanDerWaalsContact C-CE 3.49Å; P110-K115 WeakPolarHBondContact O-CD 3.41Å; P110-K115 WeakPolarHBondContact O-CE 3.49Å |
| 111 | Y | 97.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 20.9 | -178.4 | -56.8 | -63.8 | 0 | 0 | 0 | 112.8 | N109 W113 K447 P484 A485 F488 | N109-Y111 PolarHBondContact O-N 2.95Å; N109-Y111 VanDerWaalsContact O-N 3.09Å; N109-Y111 PolarHBondContact OD1-N 3.31Å; Y111-W113 PolarHBondContact O-N 3.36Å; Y111-K447 WeakPolarHBondContact OH-CB 3.19Å; Y111-P484 HydrophobicContact CD2-CB 3.7Å; Y111-P484 HydrophobicContact CD2-CG 3.97Å; Y111-P484 HydrophobicContact CE2-CG 4.46Å; Y111-P484 HydrophobicContact CG-CB 4.12Å; Y111-A485 HydrophobicContact CD1-CB 4.15Å; Y111-A485 HydrophobicContact CD2-CB 4.43Å; Y111-A485 HydrophobicContact CE1-CB 3.7Å; Y111-A485 HydrophobicContact CE2-CB 3.98Å; Y111-A485 HydrophobicContact CG-CB 4.48Å; Y111-F488 HydrophobicContact CD1-CB 4.32Å; Y111-F488 HydrophobicContact CD1-CD1 4.45Å; Y111-F488 HydrophobicContact CD1-CG 4.47Å; Y111-F488 WeakPolarHBondContact O-CD2 3.32Å |
| 112 | S | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -56.4 | 137.2 | 175.7 | 178 | 0 | 0 | 0 | 0 | 112 | N95 G96 P97 N109 N114 K115 F488 | N95-S112 WeakPolarHBondContact O-CA 3.43Å; N95-S112 PolarHBondContact O-OG 3.2Å; G96-S112 VanDerWaalsContact C-OG 3.28Å; P97-S112 VanDerWaalsContact CA-OG 3.26Å; P97-S112 WeakPolarHBondContact CA-OG 3.34Å; N109-S112 PolarHBondContact O-N 3.02Å; N109-S112 PolarHBondContact OD1-N 3.34Å; S112-N114 VanDerWaalsContact CB-OD1 3.32Å; S112-N114 WeakPolarHBondContact CB-OD1 3.32Å; S112-N114 PolarHBondContact O-N 3.07Å; S112-N114 PolarHBondContact OG-N 3.14Å; S112-N114 PolarHBondContact OG-OD1 3.44Å; S112-K115 WeakPolarHBondContact O-CB 3.24Å; S112-K115 WeakPolarHBondContact O-CG 3.33Å; S112-K115 PolarHBondContact O-N 3.1Å; S112-K115 VanDerWaalsContact O-N 3.12Å; S112-F488 WeakPolarHBondContact O-CE2 3.47Å | ||
| 113 | W | 98.7 | Very high | 96 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -67.3 | -21.1 | 177.7 | -69.3 | 15.9 | 0 | 0 | 0 | 112.2 | I76 W78 N95 Y111 K115 V116 A117 V119 T171 P480 T487 I491 | I76-W113 HydrophobicContact CD1-CE3 4.11Å; I76-W113 HydrophobicContact CG2-CE3 4.28Å; I76-W113 HydrophobicContact CG2-CZ3 4.4Å; W78-W113 HydrophobicContact CE3-CE3 4.42Å; W78-W113 AromaticContact CE3-CH2 3.86Å; W78-W113 HydrophobicContact CE3-CH2 3.86Å; W78-W113 AromaticContact CE3-CZ3 3.66Å; W78-W113 HydrophobicContact CE3-CZ3 3.66Å; W78-W113 HydrophobicContact CH2-CH2 4.38Å; W78-W113 AromaticContact CZ3-CH2 3.39Å; W78-W113 HydrophobicContact CZ3-CH2 3.39Å; W78-W113 HydrophobicContact CZ3-CZ2 4.12Å; W78-W113 AromaticContact CZ3-CZ3 3.71Å; W78-W113 HydrophobicContact CZ3-CZ3 3.71Å; N95-W113 HydrophobicContact CB-CD2 3.85Å; N95-W113 HydrophobicContact CB-CG 3.79Å; N95-W113 HydrophobicContact CB-CZ2 4.31Å; N95-W113 PolarHBondContact O-N 3.33Å; Y111-W113 PolarHBondContact O-N 3.36Å; W113-K115 PolarHBondContact O-N 2.8Å; W113-V116 WeakPolarHBondContact O-CG2 3.29Å; W113-V116 PolarHBondContact O-N 3.24Å; W113-V116 VanDerWaalsContact O-N 3.1Å; W113-A117 PolarHBondContact O-N 3.25Å; W113-V119 HydrophobicContact CB-CG2 4.1Å; W113-T171 HydrophobicContact CZ3-CG2 4.39Å; W113-P480 HydrophobicContact CZ2-CG 4.11Å; W113-T487 HydrophobicContact CZ2-CG2 3.71Å; W113-I491 HydrophobicContact CD2-CB 4.35Å; W113-I491 HydrophobicContact CD2-CG1 4.09Å; W113-I491 HydrophobicContact CD2-CG2 3.93Å; W113-I491 HydrophobicContact CE3-CG1 4.28Å; W113-I491 HydrophobicContact CE3-CG2 3.98Å; W113-I491 HydrophobicContact CG-CG2 4.33Å; W113-I491 HydrophobicContact CH2-CD1 3.57Å; W113-I491 HydrophobicContact CH2-CG1 3.53Å; W113-I491 HydrophobicContact CZ2-CB 4.43Å; W113-I491 HydrophobicContact CZ2-CD1 3.94Å; W113-I491 HydrophobicContact CZ2-CG1 3.37Å; W113-I491 HydrophobicContact CZ3-CD1 3.99Å; W113-I491 HydrophobicContact CZ3-CG1 4Å; W113-I491 HydrophobicContact CZ3-CG2 4.32Å |
| 114 | N | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -69.2 | -2.3 | 174.6 | 92.5 | -50.2 | 0 | 0 | 0 | 113.9 | F43 V64 E65 A66 T67 S112 V116 A117 V119 | F43-N114 WeakPolarHBondContact CE2-ND2 3.48Å; V64-N114 HydrophobicContact CB-CB 4.48Å; V64-N114 HydrophobicContact CG2-CB 3.82Å; E65-N114 PolarHBondContact O-ND2 3.09Å; A66-N114 CarbonylContact C-O 3.54Å; A66-N114 WeakPolarHBondContact CA-O 3.43Å; T67-N114 PolarHBondContact N-O 3.33Å; S112-N114 VanDerWaalsContact CB-OD1 3.32Å; S112-N114 WeakPolarHBondContact CB-OD1 3.32Å; S112-N114 PolarHBondContact O-N 3.07Å; S112-N114 PolarHBondContact OG-N 3.14Å; S112-N114 PolarHBondContact OG-OD1 3.44Å; N114-V116 VanDerWaalsContact C-N 3.25Å; N114-A117 CarbonylContact C-O 3.55Å; N114-A117 WeakPolarHBondContact CA-O 3.38Å; N114-V119 HydrophobicContact CB-CG2 4.17Å |
| 115 | K | 98.1 | Very high | 97.6 | Very high | 71 Ų | 71 | 25.8 Ų | 25.8 | 31% | 0.309 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -72.9 | -19 | 169.6 | -67.6 | 175.7 | -176.7 | -80.3 | 0 | 113.1 | T67 E108 N109 P110 S112 W113 F488 | T67-K115 HydrophobicContact CG2-CG 4.32Å; T67-K115 WeakPolarHBondContact OG1-CA 3.5Å; E108-K115 IonicContact OE1-NZ 3.48Å; N109-K115 WeakPolarHBondContact O-CE 3.44Å; P110-K115 VanDerWaalsContact C-CE 3.49Å; P110-K115 WeakPolarHBondContact O-CD 3.41Å; P110-K115 WeakPolarHBondContact O-CE 3.49Å; S112-K115 WeakPolarHBondContact O-CB 3.24Å; S112-K115 WeakPolarHBondContact O-CG 3.33Å; S112-K115 PolarHBondContact O-N 3.1Å; S112-K115 VanDerWaalsContact O-N 3.12Å; W113-K115 PolarHBondContact O-N 2.8Å; K115-F488 HydrophobicContact CB-CE2 3.89Å; K115-F488 HydrophobicContact CB-CZ 4.12Å |
| 116 | V | 97.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 18.5 Ų | 18.5 | 18% | 0.176 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -5.6 | -177.8 | -65.8 | 0 | 0 | 0 | 0 | 114 | W113 N114 F488 I495 | W113-V116 WeakPolarHBondContact O-CG2 3.29Å; W113-V116 PolarHBondContact O-N 3.24Å; W113-V116 VanDerWaalsContact O-N 3.1Å; N114-V116 VanDerWaalsContact C-N 3.25Å; V116-F488 HydrophobicContact CG1-CE2 4.1Å; V116-F488 HydrophobicContact CG1-CZ 3.91Å; V116-F488 HydrophobicContact CG2-CE2 4.31Å; V116-I495 HydrophobicContact CB-CD1 4.2Å; V116-I495 HydrophobicContact CG2-CD1 3.56Å |
| 117 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -154.6 | 164.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A66 P74 I76 W113 N114 V119 I495 | A66-A117 VanDerWaalsContact CA-O 3.3Å; A66-A117 WeakPolarHBondContact CA-O 3.36Å; A66-A117 WeakPolarHBondContact CB-O 3.34Å; P74-A117 HydrophobicContact CG-CB 3.96Å; I76-A117 HydrophobicContact CD1-CB 3.68Å; I76-A117 HydrophobicContact CG1-CB 3.91Å; W113-A117 PolarHBondContact O-N 3.25Å; N114-A117 CarbonylContact C-O 3.55Å; N114-A117 WeakPolarHBondContact CA-O 3.38Å; A117-V119 HydrophobicContact CB-CG2 4.46Å; A117-I495 HydrophobicContact CB-CD1 4.06Å |
| 118 | N | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.7 | 156.5 | -56.6 | -68.8 | 0 | 0 | 0 | 107.5 | L63 V64 E65 A66 P70 A73 P74 L75 I76 Y163 | L63-N118 HydrophobicContact CD1-CB 4.38Å; V64-N118 WeakPolarHBondContact O-CA 3.28Å; E65-N118 VanDerWaalsContact CA-OD1 3.24Å; E65-N118 WeakPolarHBondContact CA-OD1 3.42Å; E65-N118 WeakPolarHBondContact CB-OD1 3.44Å; A66-N118 PolarHBondContact N-OD1 2.81Å; P70-N118 WeakPolarHBondContact CB-OD1 3.32Å; P70-N118 PolarHBondContact O-ND2 3.11Å; A73-N118 PolarHBondContact O-ND2 2.8Å; P74-N118 PolarHBondContact O-N 2.84Å; P74-N118 PolarHBondContact O-ND2 3.3Å; L75-N118 CarbonylContact C-O 3.53Å; L75-N118 WeakPolarHBondContact CA-O 3.13Å; L75-N118 HydrophobicContact CD1-CB 4.16Å; I76-N118 PolarHBondContact N-O 3.09Å; N118-Y163 HydrophobicContact CB-CE1 3.72Å; N118-Y163 WeakPolarHBondContact CB-OH 3.42Å; N118-Y163 PolarHBondContact OD1-OH 3.3Å |
| 119 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.2 | -176.4 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | L63 V64 I76 W78 W113 N114 A117 Y121 | L63-V119 WeakPolarHBondContact CA-O 3.48Å; V64-V119 HydrophobicContact CG2-CB 3.84Å; V64-V119 HydrophobicContact CG2-CG2 4.45Å; V64-V119 PolarHBondContact N-O 3.03Å; V64-V119 PolarHBondContact O-N 2.96Å; I76-V119 HydrophobicContact CB-CG1 4.34Å; I76-V119 HydrophobicContact CB-CG2 4.43Å; I76-V119 HydrophobicContact CG2-CG1 4.19Å; I76-V119 CarbonylContact O-C 2.99Å; I76-V119 WeakPolarHBondContact O-CA 3.31Å; W78-V119 HydrophobicContact CB-CG1 4.38Å; W113-V119 HydrophobicContact CB-CG2 4.1Å; N114-V119 HydrophobicContact CB-CG2 4.17Å; A117-V119 HydrophobicContact CB-CG2 4.46Å; V119-Y121 HydrophobicContact CB-CE2 3.84Å; V119-Y121 HydrophobicContact CG1-CD2 4.11Å; V119-Y121 HydrophobicContact CG1-CE1 4.26Å; V119-Y121 HydrophobicContact CG1-CE2 3.48Å; V119-Y121 VanDerWaalsContact CG1-CE2 3.48Å |
| 120 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 107.3 | 179.7 | -179.7 | 66.9 | 0 | 0 | 0 | 109.7 | Y61 L63 L75 I76 V77 W78 L122 L153 F156 | Y61-L120 HydrophobicContact CD2-CD1 3.47Å; Y61-L120 VanDerWaalsContact CD2-CD1 3.47Å; Y61-L120 HydrophobicContact CE2-CD1 4.42Å; Y61-L120 HydrophobicContact CG-CD1 4.07Å; L63-L120 HydrophobicContact CB-CD1 4.06Å; L63-L120 HydrophobicContact CD1-CB 4.24Å; L63-L120 HydrophobicContact CD1-CD1 4.42Å; L75-L120 HydrophobicContact CD1-CB 4.02Å; I76-L120 PolarHBondContact O-N 2.82Å; V77-L120 WeakPolarHBondContact CA-O 3.32Å; V77-L120 HydrophobicContact CG2-CD2 4.38Å; W78-L120 PolarHBondContact N-O 2.83Å; L120-L122 HydrophobicContact CD1-CD2 4.18Å; L120-L122 HydrophobicContact CD2-CD2 4.02Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD2 3.88Å; L120-L122 HydrophobicContact CG-CG 4.15Å; L120-L153 HydrophobicContact CD2-CD2 3.76Å; L120-F156 HydrophobicContact CD1-CD2 4.18Å; L120-F156 HydrophobicContact CD1-CE2 4.1Å; L120-F156 HydrophobicContact CD2-CD2 3.97Å; L120-F156 HydrophobicContact CD2-CE2 4.2Å; L120-F156 HydrophobicContact CD2-CG 4.17Å |
| 121 | Y | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 121.7 | 174.3 | -59.1 | -97.1 | 0 | 0 | 0 | 108.6 | Y61 W62 V64 W78 S87 L91 N95 G96 V119 | Y61-Y121 CarbonylContact C-O 3.57Å; Y61-Y121 VanDerWaalsContact CA-O 3.27Å; Y61-Y121 WeakPolarHBondContact CA-O 3.41Å; W62-Y121 PolarHBondContact N-O 2.91Å; W62-Y121 WeakPolarHBondContact O-CD2 3.14Å; W62-Y121 PolarHBondContact O-N 2.89Å; V64-Y121 HydrophobicContact CG2-CE2 3.82Å; W78-Y121 HydrophobicContact CB-CD1 3.88Å; W78-Y121 HydrophobicContact CB-CE1 4.06Å; W78-Y121 AromaticContact CD1-CD1 3.42Å; W78-Y121 VanDerWaalsContact CD1-CD1 3.42Å; W78-Y121 AromaticContact CD1-CE1 3.75Å; W78-Y121 AromaticContact CG-CD1 3.82Å; W78-Y121 HydrophobicContact CG-CD1 3.82Å; W78-Y121 AromaticContact CG-CE1 3.88Å; W78-Y121 HydrophobicContact CG-CE1 3.88Å; S87-Y121 WeakPolarHBondContact O-CD1 3.46Å; L91-Y121 HydrophobicContact CB-CD1 3.75Å; L91-Y121 HydrophobicContact CB-CD2 4.19Å; L91-Y121 HydrophobicContact CB-CE1 3.79Å; L91-Y121 HydrophobicContact CB-CE2 4.21Å; L91-Y121 HydrophobicContact CB-CG 3.98Å; L91-Y121 HydrophobicContact CD1-CD2 3.61Å; L91-Y121 HydrophobicContact CD1-CE2 3.93Å; L91-Y121 HydrophobicContact CD1-CG 3.98Å; L91-Y121 HydrophobicContact CG-CD1 4.49Å; L91-Y121 HydrophobicContact CG-CD2 4.06Å; L91-Y121 HydrophobicContact CG-CE1 4.41Å; L91-Y121 HydrophobicContact CG-CE2 3.95Å; L91-Y121 HydrophobicContact CG-CG 4.34Å; N95-Y121 VanDerWaalsContact OD1-CE1 3.26Å; N95-Y121 WeakPolarHBondContact OD1-CE1 3.35Å; N95-Y121 PolarHBondContact OD1-OH 3.04Å; G96-Y121 VanDerWaalsContact CA-OH 3.27Å; G96-Y121 WeakPolarHBondContact CA-OH 3.36Å; G96-Y121 PolarHBondContact N-OH 2.85Å; V119-Y121 HydrophobicContact CB-CE2 3.84Å; V119-Y121 HydrophobicContact CG1-CD2 4.11Å; V119-Y121 HydrophobicContact CG1-CE1 4.26Å; V119-Y121 HydrophobicContact CG1-CE2 3.48Å; V119-Y121 VanDerWaalsContact CG1-CE2 3.48Å |
| 122 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117 | 179.5 | -64 | -179.8 | 0 | 0 | 0 | 110.4 | L50 I59 V77 W78 L79 S87 L120 A124 L153 | L50-L122 HydrophobicContact CD1-CD2 3.81Å; I59-L122 HydrophobicContact CG2-CB 4.38Å; I59-L122 HydrophobicContact CG2-CD2 4.42Å; V77-L122 HydrophobicContact CG1-CD1 3.92Å; V77-L122 HydrophobicContact CG1-CG 4.38Å; W78-L122 PolarHBondContact O-N 2.88Å; L79-L122 HydrophobicContact CD2-CB 3.83Å; S87-L122 WeakPolarHBondContact CB-O 3.43Å; S87-L122 PolarHBondContact OG-O 2.82Å; L120-L122 HydrophobicContact CD1-CD2 4.18Å; L120-L122 HydrophobicContact CD2-CD2 4.02Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD2 3.88Å; L120-L122 HydrophobicContact CG-CG 4.15Å; L122-A124 PolarHBondContact O-N 3.18Å; L122-A124 VanDerWaalsContact O-N 3.13Å; L122-L153 HydrophobicContact CD1-CD2 4.19Å |
| 123 | E | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -77.5 | 97.2 | 173.5 | -62.3 | -168.4 | 115.9 | 0 | 0 | 109.4 | H60 S86 L88 G129 F130 S131 W376 | H60-E123 HydrophobicContact CB-CB 4.33Å; H60-E123 HydrophobicContact CB-CG 4.48Å; H60-E123 WeakPolarHBondContact CB-OE2 3.46Å; H60-E123 IonicContact CE1-OE2 2.8Å; H60-E123 IonicContact CG-OE2 3.63Å; H60-E123 VanDerWaalsContact CG-OE2 3.31Å; H60-E123 IonicContact ND1-OE2 3.28Å; H60-E123 PolarHBondContact ND1-OE2 2.89Å; H60-E123 PolarHBondContact O-N 3.18Å; S86-E123 WeakPolarHBondContact CB-OE1 3.34Å; S86-E123 PolarHBondContact OG-OE1 3.33Å; L88-E123 HydrophobicContact CD1-CG 4.41Å; L88-E123 WeakPolarHBondContact CD1-OE1 3.46Å; L88-E123 HydrophobicContact CG-CG 3.87Å; L88-E123 WeakPolarHBondContact CG-OE1 3.45Å; E123-G129 WeakPolarHBondContact OE1-CA 3.47Å; E123-F130 WeakPolarHBondContact OE2-CA 3.46Å; E123-F130 WeakPolarHBondContact OE2-CB 3.47Å; E123-F130 PolarHBondContact OE2-N 2.91Å; E123-S131 VanDerWaalsContact O-CB 3.31Å; E123-S131 WeakPolarHBondContact O-CB 3.28Å; E123-S131 PolarHBondContact O-OG 3.13Å; E123-W376 PolarHBondContact OE1-NE1 3.14Å | ||
| 124 | A | 98 | Very high | 97.5 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 3% | 0.025 | 9% | 0.089 | C | C | . | . | trans | -129 | 149.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L79 L122 N149 | L79-A124 HydrophobicContact CD2-CB 4.46Å; L122-A124 PolarHBondContact O-N 3.18Å; L122-A124 VanDerWaalsContact O-N 3.13Å; A124-N149 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 125 | P | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | S | Bend | cis | -78 | -173.4 | -4.5 | 34.8 | -41 | 0 | 0 | 0 | 113.9 | G127 V128 T145 V383 Y387 | P125-G127 PolarHBondContact O-N 2.89Å; P125-V128 HydrophobicContact CG-CG2 4.25Å; P125-V128 VanDerWaalsContact O-CB 3.27Å; P125-V128 WeakPolarHBondContact O-CB 3.4Å; P125-V128 VanDerWaalsContact O-CG2 3.31Å; P125-V128 WeakPolarHBondContact O-CG2 3.32Å; P125-V128 PolarHBondContact O-N 3.44Å; P125-V128 VanDerWaalsContact O-N 3.12Å; P125-T145 HydrophobicContact CB-CG2 4.28Å; P125-V383 HydrophobicContact CG-CG1 3.59Å; P125-Y387 HydrophobicContact CG-CE2 4.1Å |
| 126 | A | 96.8 | Very high | 96 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | I57 I59 W140 | I57-A126 HydrophobicContact CG2-CB 4.1Å; I59-A126 HydrophobicContact CD1-CB 4.36Å; A126-W140 PolarHBondContact O-NE1 2.95Å |
| 127 | G | 95.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 20.8 Ų | 20.8 | 33% | 0.33 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -4.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P125 S131 S380 | P125-G127 PolarHBondContact O-N 2.89Å; G127-S131 VanDerWaalsContact CA-O 3.29Å; G127-S131 WeakPolarHBondContact CA-O 3.24Å; G127-S131 PolarHBondContact N-O 3.3Å; G127-S380 WeakPolarHBondContact O-CB 3.47Å; G127-S380 PolarHBondContact O-OG 3.25Å |
| 128 | V | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -92.3 | 132.5 | 169.9 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | G84 C85 P125 F130 S131 V383 | G84-V128 WeakPolarHBondContact O-CG2 3.45Å; C85-V128 VanDerWaalsContact C-CG1 3.41Å; C85-V128 WeakPolarHBondContact O-CG1 3.35Å; P125-V128 HydrophobicContact CG-CG2 4.25Å; P125-V128 VanDerWaalsContact O-CB 3.27Å; P125-V128 WeakPolarHBondContact O-CB 3.4Å; P125-V128 VanDerWaalsContact O-CG2 3.31Å; P125-V128 WeakPolarHBondContact O-CG2 3.32Å; P125-V128 PolarHBondContact O-N 3.44Å; P125-V128 VanDerWaalsContact O-N 3.12Å; V128-F130 PolarHBondContact O-N 2.83Å; V128-S131 VanDerWaalsContact O-CB 3.24Å; V128-S131 WeakPolarHBondContact O-CB 3.32Å; V128-S131 PolarHBondContact O-N 2.97Å; V128-V383 HydrophobicContact CG2-CB 4.44Å; V128-V383 HydrophobicContact CG2-CG1 4.21Å; V128-V383 HydrophobicContact CG2-CG2 4.15Å |
| 129 | G | 97.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -120.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E123 P373 | E123-G129 WeakPolarHBondContact OE1-CA 3.47Å; G129-P373 VanDerWaalsContact O-CG 3.28Å; G129-P373 WeakPolarHBondContact O-CG 3.16Å |
| 130 | F | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.2 | 174.9 | -61.5 | -57.7 | 0 | 0 | 0 | 114.5 | Y49 H60 L88 E123 V128 L357 R363 I366 V368 P373 W376 | Y49-F130 VanDerWaalsContact CE1-O 3.27Å; Y49-F130 WeakPolarHBondContact CE1-O 3.41Å; Y49-F130 PolarHBondContact OH-O 3.14Å; H60-F130 HydrophobicContact CB-CB 3.78Å; L88-F130 HydrophobicContact CD1-CD2 3.98Å; L88-F130 HydrophobicContact CD1-CE2 3.96Å; E123-F130 WeakPolarHBondContact OE2-CA 3.46Å; E123-F130 WeakPolarHBondContact OE2-CB 3.47Å; E123-F130 PolarHBondContact OE2-N 2.91Å; V128-F130 PolarHBondContact O-N 2.83Å; F130-L357 HydrophobicContact CE2-CB 4.41Å; F130-L357 HydrophobicContact CE2-CD2 4.18Å; F130-L357 HydrophobicContact CZ-CB 4.05Å; F130-L357 WeakPolarHBondContact CZ-O 3.4Å; F130-R363 HydrophobicContact CE1-CG 4.15Å; F130-R363 HydrophobicContact CZ-CG 4.12Å; F130-I366 HydrophobicContact CE2-CD1 3.81Å; F130-I366 HydrophobicContact CZ-CD1 4.36Å; F130-V368 HydrophobicContact CB-CG1 4.3Å; F130-V368 HydrophobicContact CB-CG2 4.27Å; F130-V368 HydrophobicContact CD1-CB 4.47Å; F130-V368 HydrophobicContact CD1-CG1 3.42Å; F130-V368 VanDerWaalsContact CD1-CG1 3.42Å; F130-V368 HydrophobicContact CD1-CG2 4.27Å; F130-V368 HydrophobicContact CD2-CG1 4.29Å; F130-V368 HydrophobicContact CD2-CG2 3.6Å; F130-V368 HydrophobicContact CE1-CG1 3.65Å; F130-V368 HydrophobicContact CE2-CG1 4.49Å; F130-V368 HydrophobicContact CE2-CG2 3.9Å; F130-V368 HydrophobicContact CG-CB 4.45Å; F130-V368 HydrophobicContact CG-CG1 3.75Å; F130-V368 HydrophobicContact CG-CG2 3.79Å; F130-V368 HydrophobicContact CZ-CG1 4.19Å; F130-V368 HydrophobicContact CZ-CG2 4.33Å; F130-P373 HydrophobicContact CB-CG 4.47Å; F130-P373 HydrophobicContact CD1-CG 4.2Å; F130-P373 WeakPolarHBondContact O-CD 3.46Å; F130-W376 HydrophobicContact CD1-CB 4.15Å; F130-W376 AromaticContact CD1-CD1 3.87Å; F130-W376 HydrophobicContact CD1-CG 4.42Å; F130-W376 AromaticContact CD2-CD1 3.6Å; F130-W376 HydrophobicContact CE1-CB 3.52Å; F130-W376 AromaticContact CE1-CD1 3.77Å; F130-W376 AromaticContact CE1-CG 3.98Å; F130-W376 HydrophobicContact CE1-CG 3.98Å; F130-W376 AromaticContact CE2-CD1 3.47Å; F130-W376 VanDerWaalsContact CE2-CD1 3.47Å; F130-W376 HydrophobicContact CE2-CG 4.15Å; F130-W376 AromaticContact CG-CD1 3.8Å; F130-W376 HydrophobicContact CZ-CB 3.75Å; F130-W376 AromaticContact CZ-CD1 3.57Å; F130-W376 AromaticContact CZ-CG 3.83Å; F130-W376 HydrophobicContact CZ-CG 3.83Å |
| 131 | S | 97.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | trans | -68.2 | 143.3 | 176.9 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | H58 I59 H60 E123 G127 V128 | H58-S131 CarbonylContact O-C 3.3Å; H58-S131 VanDerWaalsContact O-CA 3.3Å; H58-S131 WeakPolarHBondContact O-CA 3.41Å; H58-S131 WeakPolarHBondContact O-CB 3.29Å; I59-S131 WeakPolarHBondContact CA-OG 3.46Å; H60-S131 PolarHBondContact N-OG 2.9Å; E123-S131 VanDerWaalsContact O-CB 3.31Å; E123-S131 WeakPolarHBondContact O-CB 3.28Å; E123-S131 PolarHBondContact O-OG 3.13Å; G127-S131 VanDerWaalsContact CA-O 3.29Å; G127-S131 WeakPolarHBondContact CA-O 3.24Å; G127-S131 PolarHBondContact N-O 3.3Å; V128-S131 VanDerWaalsContact O-CB 3.24Å; V128-S131 WeakPolarHBondContact O-CB 3.32Å; V128-S131 PolarHBondContact O-N 2.97Å | ||
| 132 | Y | 96.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 29.5 Ų | 29.5 | 10% | 0.102 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 165 | -177.3 | 67.8 | -82.7 | 0 | 0 | 0 | 112.1 | Y49 H58 R369 | Y49-Y132 HydrophobicContact CD1-CD1 4.28Å; Y49-Y132 AromaticContact CD1-CE1 3.77Å; Y49-Y132 HydrophobicContact CD1-CE1 3.77Å; Y49-Y132 AromaticContact CE1-CD1 3.76Å; Y49-Y132 HydrophobicContact CE1-CD1 3.76Å; Y49-Y132 AromaticContact CE1-CE1 3.47Å; Y49-Y132 HydrophobicContact CE1-CE1 3.47Å; Y49-Y132 VanDerWaalsContact CE1-CE1 3.47Å; Y49-Y132 HydrophobicContact CE2-CE1 4.45Å; Y49-Y132 HydrophobicContact CG-CE1 4.37Å; Y49-Y132 AromaticContact CZ-CE1 3.84Å; H58-Y132 HydrophobicContact CB-CD1 3.94Å; H58-Y132 HydrophobicContact CB-CD2 4.37Å; H58-Y132 HydrophobicContact CB-CE1 3.55Å; H58-Y132 HydrophobicContact CB-CE2 4.03Å; H58-Y132 HydrophobicContact CB-CG 4.32Å; H58-Y132 AromaticContact CD2-CZ 3.96Å; H58-Y132 PolarHBondContact CD2-OH 2.84Å; H58-Y132 AromaticContact CG-CE2 3.79Å; H58-Y132 AromaticContact CG-CZ 3.53Å; H58-Y132 PolarHBondContact N-O 3.38Å; H58-Y132 AromaticContact ND1-CE2 3.63Å; H58-Y132 AromaticContact ND1-CZ 3.87Å; H58-Y132 PolarHBondContact O-N 2.96Å; Y132-R369 WeakPolarHBondContact OH-CD 3.29Å; Y132-R369 PolarHBondContact OH-NH1 2.94Å |
| 133 | S | 94.7 | Very high | 93.8 | Very high | 31 Ų | 31 | 33 Ų | 33 | 22% | 0.217 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.9 | 170 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | K56 D135 Q138 | K56-S133 CarbonylContact O-C 3.49Å; K56-S133 VanDerWaalsContact O-CA 3.28Å; K56-S133 WeakPolarHBondContact O-CA 3.34Å; S133-D135 VanDerWaalsContact C-N 3.28Å; S133-D135 WeakPolarHBondContact OG-CB 3.44Å; S133-D135 PolarHBondContact OG-N 3.43Å; S133-Q138 VanDerWaalsContact CB-OE1 3.26Å; S133-Q138 PolarHBondContact OG-NE2 2.9Å; S133-Q138 PolarHBondContact OG-OE1 3.41Å |
| 134 | S | 91 | Very high | 93.7 | Very high | 83 Ų | 83 | 36.3 Ų | 36.3 | 58% | 0.58 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -87.3 | 2.2 | 169.2 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | K56 | K56-S134 VanDerWaalsContact CA-OG 3.3Å; K56-S134 WeakPolarHBondContact CA-OG 3.26Å; K56-S134 VanDerWaalsContact CB-OG 3.3Å; K56-S134 WeakPolarHBondContact CB-OG 3.26Å; K56-S134 PolarHBondContact O-N 3.13Å; K56-S134 PolarHBondContact O-OG 3.25Å |
| 135 | D | 86.2 | Confident | 93.7 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | trans | -90.3 | 136 | 176.8 | -156.7 | 30 | 0 | 0 | 0 | 111.9 | K56 S133 | K56-D135 HydrophobicContact CB-CB 4.15Å; K56-D135 HydrophobicContact CD-CB 3.57Å; K56-D135 IonicContact NZ-OD1 2.89Å; K56-D135 PolarHBondContact NZ-OD1 2.89Å; S133-D135 VanDerWaalsContact C-N 3.28Å; S133-D135 WeakPolarHBondContact OG-CB 3.44Å; S133-D135 PolarHBondContact OG-N 3.43Å | ||
| 136 | S | 78.5 | Confident | 93.7 | Very high | 125 Ų | 125 | 36.4 Ų | 36.4 | 87% | 0.874 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -77.6 | -20.5 | -178.1 | 54 | 0 | 0 | 0 | 0 | 113.8 | ||
| 137 | S | 81.3 | Confident | 93.8 | Very high | 82 Ų | 82 | 37.8 Ų | 37.8 | 57% | 0.573 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -111.1 | 69.5 | -178.4 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 138 | Q | 85 | Confident | 93.9 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -72.2 | 135.6 | 174.9 | -71.9 | -63.1 | -79.7 | 0 | 0 | 111.3 | S133 W140 | S133-Q138 VanDerWaalsContact CB-OE1 3.26Å; S133-Q138 PolarHBondContact OG-NE2 2.9Å; S133-Q138 PolarHBondContact OG-OE1 3.41Å; Q138-W140 HydrophobicContact CB-CD2 4.28Å; Q138-W140 HydrophobicContact CB-CE3 4.35Å; Q138-W140 HydrophobicContact CB-CH2 3.63Å; Q138-W140 HydrophobicContact CB-CZ2 3.51Å; Q138-W140 HydrophobicContact CB-CZ3 4.06Å; Q138-W140 HydrophobicContact CG-CH2 4.38Å; Q138-W140 HydrophobicContact CG-CZ2 3.98Å | ||
| 139 | V | 89.1 | Confident | 94 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 47% | 0.467 | 22% | 0.217 | S | C | . | . | trans | -115.5 | 124.5 | 169.2 | -179.2 | 0 | 0 | 0 | 0 | 106.3 | D141 R144 | V139-D141 VanDerWaalsContact CG1-OD2 3.27Å; V139-D141 WeakPolarHBondContact CG1-OD2 3.29Å; V139-R144 WeakPolarHBondContact O-CG 3.28Å | ||
| 140 | W | 95.6 | Very high | 94 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | trans | -112.1 | 109.3 | 175.5 | -63 | -74.9 | 0 | 0 | 0 | 108.4 | A126 Q138 T382 V383 N386 Y387 V388 | A126-W140 PolarHBondContact O-NE1 2.95Å; Q138-W140 HydrophobicContact CB-CD2 4.28Å; Q138-W140 HydrophobicContact CB-CE3 4.35Å; Q138-W140 HydrophobicContact CB-CH2 3.63Å; Q138-W140 HydrophobicContact CB-CZ2 3.51Å; Q138-W140 HydrophobicContact CB-CZ3 4.06Å; Q138-W140 HydrophobicContact CG-CH2 4.38Å; Q138-W140 HydrophobicContact CG-CZ2 3.98Å; W140-T382 HydrophobicContact CH2-CG2 3.87Å; W140-T382 HydrophobicContact CZ3-CG2 4.23Å; W140-V383 HydrophobicContact CD2-CG2 4.47Å; W140-V383 HydrophobicContact CG-CG1 4.23Å; W140-V383 HydrophobicContact CZ2-CG2 4.23Å; W140-N386 HydrophobicContact CE3-CB 3.65Å; W140-N386 HydrophobicContact CZ3-CB 3.89Å; W140-Y387 HydrophobicContact CB-CD2 3.64Å; W140-Y387 HydrophobicContact CB-CE2 4.05Å; W140-Y387 HydrophobicContact CB-CG 4.37Å; W140-Y387 CarbonylContact O-C 3.59Å; W140-Y387 WeakPolarHBondContact O-CA 3.43Å; W140-V388 PolarHBondContact O-N 3.47Å | ||
| 141 | D | 97.5 | Very high | 94 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -148.7 | 167.7 | 176.2 | 68 | 51.9 | 0 | 0 | 0 | 110.2 | V139 D143 R144 T145 Y387 V388 I390 | V139-D141 VanDerWaalsContact CG1-OD2 3.27Å; V139-D141 WeakPolarHBondContact CG1-OD2 3.29Å; D141-D143 VanDerWaalsContact C-N 3.31Å; D141-D143 PolarHBondContact O-N 3.04Å; D141-D143 PolarHBondContact OD1-N 2.89Å; D141-D143 VanDerWaalsContact OD1-N 3.07Å; D141-R144 PolarHBondContact O-N 3.26Å; D141-R144 VanDerWaalsContact OD1-CB 3.28Å; D141-R144 WeakPolarHBondContact OD1-CB 3.3Å; D141-R144 PolarHBondContact OD1-N 3.12Å; D141-T145 WeakPolarHBondContact O-CB 3.21Å; D141-T145 PolarHBondContact O-N 3.02Å; D141-T145 PolarHBondContact O-OG1 3.1Å; D141-T145 VanDerWaalsContact O-OG1 3.13Å; D141-Y387 PolarHBondContact O-OH 3.06Å; D141-V388 VanDerWaalsContact CA-O 3.24Å; D141-V388 WeakPolarHBondContact CA-O 3.37Å; D141-V388 HydrophobicContact CB-CB 3.82Å; D141-V388 WeakPolarHBondContact CB-O 3.32Å; D141-I390 HydrophobicContact CB-CD1 4Å; D141-I390 HydrophobicContact CB-CG1 4.37Å |
| 142 | D | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.2 | -42.7 | -174.9 | -63.2 | -36.2 | 0 | 0 | 0 | 112.3 | A146 Y175 V178 Y387 V388 I390 Y391 | D142-A146 WeakPolarHBondContact O-CB 3.21Å; D142-A146 PolarHBondContact O-N 2.88Å; D142-Y175 WeakPolarHBondContact OD1-CE1 3.42Å; D142-Y175 PolarHBondContact OD1-OH 2.94Å; D142-V178 HydrophobicContact CB-CG1 4.08Å; D142-V178 WeakPolarHBondContact OD1-CG1 3.34Å; D142-Y387 WeakPolarHBondContact CA-OH 3.44Å; D142-Y387 PolarHBondContact N-OH 3.24Å; D142-Y387 VanDerWaalsContact OD1-CE1 3.32Å; D142-Y387 WeakPolarHBondContact OD1-CE1 3.32Å; D142-V388 PolarHBondContact N-O 3.25Å; D142-I390 HydrophobicContact CB-CB 4.2Å; D142-I390 HydrophobicContact CB-CD1 4.32Å; D142-I390 HydrophobicContact CB-CG1 4.35Å; D142-I390 WeakPolarHBondContact OD2-CA 3.08Å; D142-I390 WeakPolarHBondContact OD2-CB 3.22Å; D142-I390 PolarHBondContact OD2-N 2.67Å; D142-Y391 HydrophobicContact CB-CD2 3.65Å; D142-Y391 HydrophobicContact CB-CE2 3.82Å; D142-Y391 PolarHBondContact OD2-N 2.9Å |
| 143 | D | 98 | Very high | 94.2 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 39% | 0.39 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.4 | -39.6 | -176.1 | -72.5 | -22.6 | 0 | 0 | 0 | 111.6 | D141 A146 S147 I390 Y391 | D141-D143 VanDerWaalsContact C-N 3.31Å; D141-D143 PolarHBondContact O-N 3.04Å; D141-D143 PolarHBondContact OD1-N 2.89Å; D141-D143 VanDerWaalsContact OD1-N 3.07Å; D143-A146 PolarHBondContact O-N 3.35Å; D143-S147 WeakPolarHBondContact O-CB 3.4Å; D143-S147 PolarHBondContact O-N 3.03Å; D143-I390 HydrophobicContact CB-CD1 3.99Å; D143-I390 WeakPolarHBondContact OD2-CD1 3.29Å; D143-Y391 VanDerWaalsContact OD1-CE2 3.24Å; D143-Y391 WeakPolarHBondContact OD1-CE2 3.45Å; D143-Y391 VanDerWaalsContact OD1-CZ 3.31Å; D143-Y391 PolarHBondContact OD1-OH 3.38Å |
| 144 | R | 96.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.1 | -46 | 176.8 | -179.4 | 52.3 | -178.4 | -110.7 | 17 | 110.6 | S53 V139 D141 A146 S147 D148 | S53-R144 PolarHBondContact OG-NE 3.47Å; S53-R144 PolarHBondContact OG-NH2 2.9Å; S53-R144 VanDerWaalsContact OG-NH2 3.12Å; V139-R144 WeakPolarHBondContact O-CG 3.28Å; D141-R144 PolarHBondContact O-N 3.26Å; D141-R144 VanDerWaalsContact OD1-CB 3.28Å; D141-R144 WeakPolarHBondContact OD1-CB 3.3Å; D141-R144 PolarHBondContact OD1-N 3.12Å; R144-A146 VanDerWaalsContact C-N 3.32Å; R144-A146 PolarHBondContact O-N 3.13Å; R144-S147 PolarHBondContact O-N 2.98Å; R144-D148 WeakPolarHBondContact CD-OD2 3.38Å; R144-D148 IonicContact CZ-OD1 3.82Å; R144-D148 IonicContact CZ-OD2 2.6Å; R144-D148 IonicContact NE-OD1 3.39Å; R144-D148 PolarHBondContact NE-OD1 2.67Å; R144-D148 IonicContact NE-OD2 3.66Å; R144-D148 PolarHBondContact NE-OD2 2.9Å; R144-D148 IonicContact NH2-OD1 3.37Å; R144-D148 WeakPolarHBondContact O-CB 3.34Å; R144-D148 PolarHBondContact O-N 3.22Å |
| 145 | T | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.9 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | P125 D141 D148 N149 Y179 Y387 | P125-T145 HydrophobicContact CB-CG2 4.28Å; D141-T145 WeakPolarHBondContact O-CB 3.21Å; D141-T145 PolarHBondContact O-N 3.02Å; D141-T145 PolarHBondContact O-OG1 3.1Å; D141-T145 VanDerWaalsContact O-OG1 3.13Å; T145-D148 PolarHBondContact O-N 3.43Å; T145-N149 WeakPolarHBondContact O-CB 3.16Å; T145-N149 PolarHBondContact O-N 3.18Å; T145-N149 PolarHBondContact O-ND2 2.85Å; T145-Y179 HydrophobicContact CG2-CD1 3.94Å; T145-Y179 HydrophobicContact CG2-CE1 3.91Å; T145-Y179 HydrophobicContact CG2-CG 4.49Å; T145-Y387 WeakPolarHBondContact CB-OH 3.48Å; T145-Y387 PolarHBondContact OG1-OH 3.49Å |
| 146 | A | 98.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | D142 D143 R144 N149 Y150 L186 | D142-A146 WeakPolarHBondContact O-CB 3.21Å; D142-A146 PolarHBondContact O-N 2.88Å; D143-A146 PolarHBondContact O-N 3.35Å; R144-A146 VanDerWaalsContact C-N 3.32Å; R144-A146 PolarHBondContact O-N 3.13Å; A146-N149 PolarHBondContact O-N 3.43Å; A146-Y150 WeakPolarHBondContact O-CB 3.42Å; A146-Y150 PolarHBondContact O-N 3.45Å; A146-L186 HydrophobicContact CB-CD1 4.05Å; A146-L186 WeakPolarHBondContact O-CD1 3.35Å |
| 147 | S | 98 | Very high | 96.1 | Very high | 31 Ų | 31 | 29.6 Ų | 29.6 | 22% | 0.217 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | S53 D143 R144 N149 Y150 H151 | S53-S147 WeakPolarHBondContact CB-OG 3.36Å; D143-S147 WeakPolarHBondContact O-CB 3.4Å; D143-S147 PolarHBondContact O-N 3.03Å; R144-S147 PolarHBondContact O-N 2.98Å; S147-N149 PolarHBondContact O-N 3.44Å; S147-Y150 PolarHBondContact O-N 2.9Å; S147-H151 PolarHBondContact O-N 3.04Å; S147-H151 PolarHBondContact O-ND1 2.76Å |
| 148 | D | 98.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 178.7 | -74.8 | -35.7 | 0 | 0 | 0 | 111.6 | S53 I57 R144 T145 H151 A152 | S53-D148 VanDerWaalsContact CB-OD1 3.23Å; S53-D148 WeakPolarHBondContact CB-OD1 3.3Å; S53-D148 PolarHBondContact N-OD1 3.45Å; S53-D148 PolarHBondContact OG-OD1 3.13Å; I57-D148 WeakPolarHBondContact CD1-OD1 3.4Å; I57-D148 VanDerWaalsContact CD1-OD2 3.31Å; I57-D148 WeakPolarHBondContact CD1-OD2 3.43Å; I57-D148 HydrophobicContact CG2-CB 4.47Å; R144-D148 WeakPolarHBondContact CD-OD2 3.38Å; R144-D148 IonicContact CZ-OD1 3.82Å; R144-D148 IonicContact CZ-OD2 2.6Å; R144-D148 IonicContact NE-OD1 3.39Å; R144-D148 PolarHBondContact NE-OD1 2.67Å; R144-D148 IonicContact NE-OD2 3.66Å; R144-D148 PolarHBondContact NE-OD2 2.9Å; R144-D148 IonicContact NH2-OD1 3.37Å; R144-D148 WeakPolarHBondContact O-CB 3.34Å; R144-D148 PolarHBondContact O-N 3.22Å; T145-D148 PolarHBondContact O-N 3.43Å; D148-H151 PolarHBondContact O-N 2.96Å; D148-A152 WeakPolarHBondContact O-CB 3.23Å; D148-A152 PolarHBondContact O-N 3.03Å |
| 149 | N | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 176 | -71.5 | -9.9 | 0 | 0 | 0 | 112.1 | A124 T145 A146 S147 A152 L153 L183 | A124-N149 WeakPolarHBondContact CB-OD1 3.24Å; T145-N149 WeakPolarHBondContact O-CB 3.16Å; T145-N149 PolarHBondContact O-N 3.18Å; T145-N149 PolarHBondContact O-ND2 2.85Å; A146-N149 PolarHBondContact O-N 3.43Å; S147-N149 PolarHBondContact O-N 3.44Å; N149-A152 WeakPolarHBondContact O-CB 3.4Å; N149-A152 PolarHBondContact O-N 3.45Å; N149-L153 WeakPolarHBondContact O-CG 3.37Å; N149-L153 PolarHBondContact O-N 3.14Å; N149-L183 HydrophobicContact CB-CD1 3.97Å; N149-L183 HydrophobicContact CB-CD2 4.11Å |
| 150 | Y | 98.6 | Very high | 97.8 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 17% | 0.169 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.4 | 174 | -107.6 | 0 | 0 | 0 | 111.7 | A146 S147 A152 L153 L154 L186 L187 | A146-Y150 WeakPolarHBondContact O-CB 3.42Å; A146-Y150 PolarHBondContact O-N 3.45Å; S147-Y150 PolarHBondContact O-N 2.9Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 2.92Å; Y150-L153 WeakPolarHBondContact O-CB 3.44Å; Y150-L153 PolarHBondContact O-N 3.41Å; Y150-L154 HydrophobicContact CD1-CD1 4.23Å; Y150-L154 HydrophobicContact CE1-CD1 3.65Å; Y150-L154 HydrophobicContact CE1-CG 4.23Å; Y150-L154 HydrophobicContact CE2-CD2 4.4Å; Y150-L154 PolarHBondContact O-N 3.48Å; Y150-L186 HydrophobicContact CD1-CB 4.47Å; Y150-L186 HydrophobicContact CD2-CB 3.84Å; Y150-L186 HydrophobicContact CE2-CB 4.42Å; Y150-L186 HydrophobicContact CG-CB 3.88Å; Y150-L186 HydrophobicContact CG-CD1 4.24Å; Y150-L187 HydrophobicContact CD2-CD2 4.04Å; Y150-L187 HydrophobicContact CD2-CG 4.29Å; Y150-L187 HydrophobicContact CE2-CD2 4.15Å |
| 151 | H | 98.4 | Very high | 97.9 | Very high | 70 Ų | 70 | 28.1 Ų | 28.1 | 32% | 0.324 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.3 | -33.9 | 177.1 | -69.6 | 86.5 | 0 | 0 | 0 | 112.3 | R51 G52 S147 D148 L153 L154 H155 | R51-H151 CarbonylContact O-C 3.48Å; R51-H151 VanDerWaalsContact O-C 3.3Å; G52-H151 VanDerWaalsContact C-CB 3.41Å; G52-H151 VanDerWaalsContact O-CB 3.32Å; G52-H151 WeakPolarHBondContact O-CB 3.44Å; S147-H151 PolarHBondContact O-N 3.04Å; S147-H151 PolarHBondContact O-ND1 2.76Å; D148-H151 PolarHBondContact O-N 2.96Å; H151-L153 VanDerWaalsContact C-N 3.29Å; H151-L153 PolarHBondContact O-N 3.44Å; H151-L154 PolarHBondContact O-N 3.43Å; H151-L154 VanDerWaalsContact O-N 3.14Å; H151-H155 PolarHBondContact O-N 3.1Å |
| 152 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L50 R51 I59 D148 N149 Y150 H155 F156 | L50-A152 HydrophobicContact CB-CB 3.87Å; L50-A152 HydrophobicContact CD1-CB 4.27Å; R51-A152 VanDerWaalsContact O-CA 3.23Å; R51-A152 WeakPolarHBondContact O-CA 3.18Å; R51-A152 PolarHBondContact O-N 3.2Å; I59-A152 HydrophobicContact CB-CB 4.34Å; I59-A152 HydrophobicContact CG1-CB 4.33Å; D148-A152 WeakPolarHBondContact O-CB 3.23Å; D148-A152 PolarHBondContact O-N 3.03Å; N149-A152 WeakPolarHBondContact O-CB 3.4Å; N149-A152 PolarHBondContact O-N 3.45Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 2.92Å; A152-H155 PolarHBondContact O-N 3.31Å; A152-F156 WeakPolarHBondContact O-CB 3.39Å; A152-F156 PolarHBondContact O-N 3.06Å |
| 153 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.8 | -35.8 | 173.7 | -66.9 | 179.5 | 0 | 0 | 0 | 113.2 | V77 L120 L122 N149 Y150 H151 F156 L157 L183 L187 F193 | V77-L153 HydrophobicContact CG2-CD1 4.42Å; V77-L153 HydrophobicContact CG2-CD2 3.79Å; L120-L153 HydrophobicContact CD2-CD2 3.76Å; L122-L153 HydrophobicContact CD1-CD2 4.19Å; N149-L153 WeakPolarHBondContact O-CG 3.37Å; N149-L153 PolarHBondContact O-N 3.14Å; Y150-L153 WeakPolarHBondContact O-CB 3.44Å; Y150-L153 PolarHBondContact O-N 3.41Å; H151-L153 VanDerWaalsContact C-N 3.29Å; H151-L153 PolarHBondContact O-N 3.44Å; L153-F156 WeakPolarHBondContact O-CB 3.23Å; L153-F156 PolarHBondContact O-N 3.37Å; L153-L157 PolarHBondContact O-N 3.11Å; L153-L183 HydrophobicContact CD1-CD1 4.27Å; L153-L183 HydrophobicContact CD1-CD2 4.29Å; L153-L187 HydrophobicContact CD1-CD1 4.12Å; L153-L187 HydrophobicContact CD1-CD2 4.06Å; L153-F193 HydrophobicContact CB-CE2 4.11Å; L153-F193 HydrophobicContact CB-CZ 4.24Å |
| 154 | L | 97.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 173.8 | -63.4 | -178.1 | 0 | 0 | 0 | 111.8 | Y150 H151 F156 L157 E158 R192 | Y150-L154 HydrophobicContact CD1-CD1 4.23Å; Y150-L154 HydrophobicContact CE1-CD1 3.65Å; Y150-L154 HydrophobicContact CE1-CG 4.23Å; Y150-L154 HydrophobicContact CE2-CD2 4.4Å; Y150-L154 PolarHBondContact O-N 3.48Å; H151-L154 PolarHBondContact O-N 3.43Å; H151-L154 VanDerWaalsContact O-N 3.14Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-L157 PolarHBondContact O-N 3.2Å; L154-E158 PolarHBondContact O-N 3.05Å; L154-R192 PolarHBondContact O-NH1 3.35Å |
| 155 | H | 97.7 | Very high | 97.8 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 11% | 0.111 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70 | -31.7 | 175.7 | -177.2 | -119.5 | 0 | 0 | 0 | 112.3 | L50 R51 H151 A152 L157 E158 K159 | L50-H155 VanDerWaalsContact CA-ND1 3.32Å; L50-H155 WeakPolarHBondContact CA-ND1 3.46Å; R51-H155 HydrophobicContact CB-CB 4.41Å; R51-H155 PolarHBondContact N-ND1 2.63Å; R51-H155 PolarHBondContact NE-CD2 3.48Å; R51-H155 VanDerWaalsContact NE-CD2 3.31Å; R51-H155 PolarHBondContact NE-NE2 3.09Å; R51-H155 VanDerWaalsContact NE-NE2 3.18Å; H151-H155 PolarHBondContact O-N 3.1Å; A152-H155 PolarHBondContact O-N 3.31Å; H155-L157 VanDerWaalsContact C-N 3.29Å; H155-L157 PolarHBondContact O-N 2.95Å; H155-E158 IonicContact CD2-OE2 3.69Å; H155-E158 PolarHBondContact CD2-OE2 3.36Å; H155-E158 WeakPolarHBondContact O-CB 3.47Å; H155-E158 PolarHBondContact O-N 3.14Å; H155-E158 VanDerWaalsContact O-N 3.1Å; H155-K159 PolarHBondContact O-N 3.46Å; H155-K159 VanDerWaalsContact O-N 3.14Å |
| 156 | F | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 171.2 | 169.5 | -96.8 | 0 | 0 | 0 | 110.6 | L50 L63 L75 L120 A152 L153 L154 E158 K159 F160 Y163 | L50-F156 HydrophobicContact CD1-CB 3.96Å; L50-F156 HydrophobicContact CD2-CB 4.03Å; L63-F156 HydrophobicContact CD1-CE2 4.43Å; L63-F156 HydrophobicContact CD1-CZ 4.44Å; L63-F156 HydrophobicContact CD2-CE2 4.05Å; L63-F156 HydrophobicContact CD2-CZ 4.29Å; L75-F156 HydrophobicContact CD1-CZ 4.45Å; L75-F156 HydrophobicContact CD2-CD1 4.39Å; L75-F156 HydrophobicContact CD2-CE1 3.69Å; L75-F156 HydrophobicContact CD2-CZ 4.24Å; L120-F156 HydrophobicContact CD1-CD2 4.18Å; L120-F156 HydrophobicContact CD1-CE2 4.1Å; L120-F156 HydrophobicContact CD2-CD2 3.97Å; L120-F156 HydrophobicContact CD2-CE2 4.2Å; L120-F156 HydrophobicContact CD2-CG 4.17Å; A152-F156 WeakPolarHBondContact O-CB 3.39Å; A152-F156 PolarHBondContact O-N 3.06Å; L153-F156 WeakPolarHBondContact O-CB 3.23Å; L153-F156 PolarHBondContact O-N 3.37Å; L154-F156 VanDerWaalsContact C-N 3.34Å; F156-E158 VanDerWaalsContact C-N 3.27Å; F156-E158 PolarHBondContact O-N 3.44Å; F156-K159 PolarHBondContact O-N 3.24Å; F156-F160 AromaticContact CD2-CD2 3.53Å; F156-F160 HydrophobicContact CD2-CD2 3.53Å; F156-F160 HydrophobicContact CD2-CE2 4Å; F156-F160 HydrophobicContact CD2-CG 4.33Å; F156-F160 HydrophobicContact CE1-CB 4.31Å; F156-F160 HydrophobicContact CE2-CB 4.16Å; F156-F160 AromaticContact CE2-CD2 3.4Å; F156-F160 HydrophobicContact CE2-CD2 3.4Å; F156-F160 AromaticContact CE2-CE2 3.88Å; F156-F160 HydrophobicContact CE2-CE2 3.88Å; F156-F160 AromaticContact CE2-CG 3.84Å; F156-F160 HydrophobicContact CE2-CG 3.84Å; F156-F160 HydrophobicContact CG-CD2 4.32Å; F156-F160 HydrophobicContact CZ-CB 3.99Å; F156-F160 HydrophobicContact CZ-CD2 4.1Å; F156-F160 HydrophobicContact CZ-CG 4.11Å; F156-F160 WeakPolarHBondContact O-CD2 3.22Å; F156-F160 PolarHBondContact O-N 3.49Å; F156-Y163 HydrophobicContact CE1-CD1 4.25Å; F156-Y163 HydrophobicContact CE1-CD2 4.17Å; F156-Y163 AromaticContact CE1-CG 3.83Å; F156-Y163 HydrophobicContact CE1-CG 3.83Å; F156-Y163 HydrophobicContact CZ-CD1 4.29Å; F156-Y163 AromaticContact CZ-CD2 3.96Å; F156-Y163 HydrophobicContact CZ-CD2 3.96Å; F156-Y163 HydrophobicContact CZ-CE2 4.2Å; F156-Y163 AromaticContact CZ-CG 3.98Å; F156-Y163 HydrophobicContact CZ-CG 3.98Å |
| 157 | L | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.9 | -24.2 | 176.1 | -67.6 | 177.4 | 0 | 0 | 0 | 113.9 | L153 L154 H155 F160 P161 Y163 R192 F193 | L153-L157 PolarHBondContact O-N 3.11Å; L154-L157 PolarHBondContact O-N 3.2Å; H155-L157 VanDerWaalsContact C-N 3.29Å; H155-L157 PolarHBondContact O-N 2.95Å; L157-F160 CarbonylContact O-C 3.51Å; L157-P161 VanDerWaalsContact O-CA 3.26Å; L157-P161 WeakPolarHBondContact O-CA 3.12Å; L157-Y163 VanDerWaalsContact CD2-C 3.47Å; L157-R192 HydrophobicContact CD1-CB 3.56Å; L157-R192 HydrophobicContact CD1-CG 4.49Å; L157-F193 HydrophobicContact CD1-CD1 4.4Å; L157-F193 HydrophobicContact CD1-CD2 4.21Å; L157-F193 HydrophobicContact CD1-CE1 3.84Å; L157-F193 HydrophobicContact CD1-CE2 3.6Å; L157-F193 HydrophobicContact CD1-CZ 3.41Å; L157-F193 VanDerWaalsContact CD1-CZ 3.41Å; L157-F193 HydrophobicContact CD2-CD1 4.42Å; L157-F193 HydrophobicContact CD2-CE1 3.58Å; L157-F193 HydrophobicContact CD2-CZ 3.79Å; L157-F193 HydrophobicContact CG-CE1 3.85Å; L157-F193 HydrophobicContact CG-CE2 4.17Å; L157-F193 HydrophobicContact CG-CZ 3.48Å; L157-F193 VanDerWaalsContact CG-CZ 3.48Å |
| 158 | E | 96.4 | Very high | 97.9 | Very high | 108 Ų | 108 | 32.9 Ų | 32.9 | 51% | 0.505 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 169.9 | -65.3 | 175.1 | -163 | 0 | 0 | 111.6 | R51 L154 H155 F156 | R51-E158 IonicContact NH2-OE2 3Å; R51-E158 PolarHBondContact NH2-OE2 3.04Å; L154-E158 PolarHBondContact O-N 3.05Å; H155-E158 IonicContact CD2-OE2 3.69Å; H155-E158 PolarHBondContact CD2-OE2 3.36Å; H155-E158 WeakPolarHBondContact O-CB 3.47Å; H155-E158 PolarHBondContact O-N 3.14Å; H155-E158 VanDerWaalsContact O-N 3.1Å; F156-E158 VanDerWaalsContact C-N 3.27Å; F156-E158 PolarHBondContact O-N 3.44Å |
| 159 | K | 96.6 | Very high | 97.9 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 11% | 0.109 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -77.5 | -36.5 | 177.7 | -74.4 | -169.5 | 162.8 | -173 | 0 | 113 | P25 D29 Y49 L50 H155 F156 P161 | P25-K159 HydrophobicContact CB-CG 4.37Å; D29-K159 IonicContact OD1-NZ 3.69Å; D29-K159 IonicContact OD2-NZ 3.62Å; D29-K159 PolarHBondContact OD2-NZ 3Å; Y49-K159 PolarHBondContact O-NZ 3.37Å; L50-K159 HydrophobicContact CD2-CD 4.12Å; H155-K159 PolarHBondContact O-N 3.46Å; H155-K159 VanDerWaalsContact O-N 3.14Å; F156-K159 PolarHBondContact O-N 3.24Å; K159-P161 VanDerWaalsContact C-CD 3.44Å; K159-P161 WeakPolarHBondContact O-CD 3.33Å |
| 160 | F | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -125.2 | 65.1 | -174 | -60 | -91.8 | 0 | 0 | 0 | 110.7 | R26 Y46 Y61 L63 F156 L157 E162 Y163 | R26-F160 HydrophobicContact CB-CD1 4.1Å; R26-F160 HydrophobicContact CB-CE1 3.62Å; R26-F160 HydrophobicContact CB-CE2 4.15Å; R26-F160 HydrophobicContact CB-CZ 3.64Å; R26-F160 HydrophobicContact CG-CD1 4.48Å; R26-F160 HydrophobicContact CG-CE1 4.23Å; Y46-F160 AromaticContact CD1-CE1 3.97Å; Y46-F160 HydrophobicContact CD1-CE1 3.97Å; Y46-F160 HydrophobicContact CD1-CZ 4.04Å; Y46-F160 AromaticContact CD2-CE1 3.78Å; Y46-F160 HydrophobicContact CD2-CE1 3.78Å; Y46-F160 HydrophobicContact CD2-CZ 4.21Å; Y46-F160 HydrophobicContact CE1-CE1 4.29Å; Y46-F160 HydrophobicContact CE2-CE1 4.1Å; Y46-F160 AromaticContact CG-CE1 3.73Å; Y46-F160 HydrophobicContact CG-CE1 3.73Å; Y46-F160 AromaticContact CG-CZ 3.76Å; Y46-F160 HydrophobicContact CG-CZ 3.76Å; Y61-F160 AromaticContact CE2-CE2 3.9Å; Y61-F160 HydrophobicContact CE2-CE2 3.9Å; Y61-F160 HydrophobicContact CE2-CZ 4.07Å; Y61-F160 AromaticContact CZ-CE2 3.83Å; Y61-F160 VanDerWaalsContact OH-CE2 3.29Å; Y61-F160 WeakPolarHBondContact OH-CE2 3.27Å; Y61-F160 WeakPolarHBondContact OH-CZ 3.31Å; L63-F160 HydrophobicContact CD2-CD1 4.09Å; L63-F160 HydrophobicContact CD2-CE1 3.81Å; L63-F160 HydrophobicContact CD2-CZ 4.14Å; F156-F160 AromaticContact CD2-CD2 3.53Å; F156-F160 HydrophobicContact CD2-CD2 3.53Å; F156-F160 HydrophobicContact CD2-CE2 4Å; F156-F160 HydrophobicContact CD2-CG 4.33Å; F156-F160 HydrophobicContact CE1-CB 4.31Å; F156-F160 HydrophobicContact CE2-CB 4.16Å; F156-F160 AromaticContact CE2-CD2 3.4Å; F156-F160 HydrophobicContact CE2-CD2 3.4Å; F156-F160 AromaticContact CE2-CE2 3.88Å; F156-F160 HydrophobicContact CE2-CE2 3.88Å; F156-F160 AromaticContact CE2-CG 3.84Å; F156-F160 HydrophobicContact CE2-CG 3.84Å; F156-F160 HydrophobicContact CG-CD2 4.32Å; F156-F160 HydrophobicContact CZ-CB 3.99Å; F156-F160 HydrophobicContact CZ-CD2 4.1Å; F156-F160 HydrophobicContact CZ-CG 4.11Å; F156-F160 WeakPolarHBondContact O-CD2 3.22Å; F156-F160 PolarHBondContact O-N 3.49Å; L157-F160 CarbonylContact O-C 3.51Å; F160-E162 WeakPolarHBondContact CA-OE1 3.37Å; F160-E162 WeakPolarHBondContact CB-OE1 3.24Å; F160-E162 WeakPolarHBondContact CD1-OE1 3.28Å; F160-E162 PolarHBondContact O-N 2.95Å; F160-E162 VanDerWaalsContact O-N 3.09Å; F160-Y163 HydrophobicContact CB-CD2 3.67Å; F160-Y163 HydrophobicContact CB-CE2 4.15Å; F160-Y163 HydrophobicContact CD1-CE2 4.38Å; F160-Y163 PolarHBondContact O-N 3.02Å | ||
| 161 | P | 96.7 | Very high | 97.9 | Very high | 70 Ų | 70 | 30.8 Ų | 30.8 | 46% | 0.455 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -62 | -20.7 | -174.1 | 26 | -36 | 0 | 0 | 0 | 113.7 | L157 K159 Y163 E164 | L157-P161 VanDerWaalsContact O-CA 3.26Å; L157-P161 WeakPolarHBondContact O-CA 3.12Å; K159-P161 VanDerWaalsContact C-CD 3.44Å; K159-P161 WeakPolarHBondContact O-CD 3.33Å; P161-Y163 PolarHBondContact O-N 3.47Å; P161-E164 WeakPolarHBondContact O-CB 3.39Å; P161-E164 PolarHBondContact O-N 2.9Å; P161-E164 VanDerWaalsContact O-N 3.09Å |
| 162 | E | 95.9 | Very high | 97.9 | Very high | 64 Ų | 64 | 27.4 Ų | 27.4 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -64.8 | -8.2 | 171.6 | 62.9 | -77.2 | 169 | 0 | 0 | 114.9 | R24 R26 F160 R166 | R24-E162 IonicContact NH1-OE2 3.69Å; R26-E162 IonicContact CZ-OE1 2.7Å; R26-E162 IonicContact NH1-OE1 3.51Å; R26-E162 PolarHBondContact NH1-OE1 3.48Å; R26-E162 IonicContact NH1-OE2 3.6Å; R26-E162 PolarHBondContact NH1-OE2 3.17Å; F160-E162 WeakPolarHBondContact CA-OE1 3.37Å; F160-E162 WeakPolarHBondContact CB-OE1 3.24Å; F160-E162 WeakPolarHBondContact CD1-OE1 3.28Å; F160-E162 PolarHBondContact O-N 2.95Å; F160-E162 VanDerWaalsContact O-N 3.09Å; E162-R166 PolarHBondContact O-NH2 3.2Å |
| 163 | Y | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -94.8 | 0.4 | 171.5 | -72.4 | -97.6 | 0 | 0 | 0 | 113.5 | L63 L75 N118 F156 L157 F160 P161 G165 R166 | L63-Y163 HydrophobicContact CD2-CE2 4.36Å; L75-Y163 HydrophobicContact CB-CD1 4.22Å; L75-Y163 HydrophobicContact CB-CE1 4.48Å; L75-Y163 HydrophobicContact CD1-CD1 4.28Å; L75-Y163 HydrophobicContact CD1-CE1 4.08Å; L75-Y163 HydrophobicContact CD2-CD1 4.23Å; L75-Y163 HydrophobicContact CG-CD1 4.49Å; N118-Y163 HydrophobicContact CB-CE1 3.72Å; N118-Y163 WeakPolarHBondContact CB-OH 3.42Å; N118-Y163 PolarHBondContact OD1-OH 3.3Å; F156-Y163 HydrophobicContact CE1-CD1 4.25Å; F156-Y163 HydrophobicContact CE1-CD2 4.17Å; F156-Y163 AromaticContact CE1-CG 3.83Å; F156-Y163 HydrophobicContact CE1-CG 3.83Å; F156-Y163 HydrophobicContact CZ-CD1 4.29Å; F156-Y163 AromaticContact CZ-CD2 3.96Å; F156-Y163 HydrophobicContact CZ-CD2 3.96Å; F156-Y163 HydrophobicContact CZ-CE2 4.2Å; F156-Y163 AromaticContact CZ-CG 3.98Å; F156-Y163 HydrophobicContact CZ-CG 3.98Å; L157-Y163 VanDerWaalsContact CD2-C 3.47Å; F160-Y163 HydrophobicContact CB-CD2 3.67Å; F160-Y163 HydrophobicContact CB-CE2 4.15Å; F160-Y163 HydrophobicContact CD1-CE2 4.38Å; F160-Y163 PolarHBondContact O-N 3.02Å; P161-Y163 PolarHBondContact O-N 3.47Å; Y163-G165 PolarHBondContact O-N 2.81Å; Y163-R166 HydrophobicContact CD1-CB 4.42Å; Y163-R166 HydrophobicContact CD1-CG 4.08Å; Y163-R166 WeakPolarHBondContact O-CB 3.26Å; Y163-R166 PolarHBondContact O-N 3.05Å |
| 164 | E | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 28.4 Ų | 28.4 | 42% | 0.416 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131.2 | 173.7 | -165.7 | 80 | -154.5 | 0 | 0 | 110 | P161 R166 R192 | P161-E164 WeakPolarHBondContact O-CB 3.39Å; P161-E164 PolarHBondContact O-N 2.9Å; P161-E164 VanDerWaalsContact O-N 3.09Å; E164-R166 PolarHBondContact O-N 3.07Å; E164-R192 VanDerWaalsContact OE1-CA 3.3Å; E164-R192 WeakPolarHBondContact OE1-CA 3.23Å; E164-R192 WeakPolarHBondContact OE1-CB 3.11Å; E164-R192 VanDerWaalsContact OE1-CG 3.29Å; E164-R192 WeakPolarHBondContact OE1-CG 3.23Å; E164-R192 IonicContact OE1-NE 3.09Å; E164-R192 PolarHBondContact OE1-NE 2.99Å; E164-R192 VanDerWaalsContact OE1-NE 3.09Å; E164-R192 IonicContact OE2-CZ 3.4Å; E164-R192 IonicContact OE2-NE 3.2Å; E164-R192 PolarHBondContact OE2-NE 3.48Å; E164-R192 IonicContact OE2-NH2 2.76Å; E164-R192 PolarHBondContact OE2-NH2 2.58Å |
| 165 | G | 97.9 | Very high | 98 | Very high | 47 Ų | 47 | 26.8 Ų | 26.8 | 49% | 0.485 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y163 R192 | Y163-G165 PolarHBondContact O-N 2.81Å; G165-R192 PolarHBondContact N-O 3.38Å |
| 166 | R | 98.2 | Very high | 98 | Very high | 34 Ų | 34 | 25.7 Ų | 25.7 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | trans | -65.3 | 142.6 | 178.7 | -170.9 | 67.9 | 65.1 | -171.1 | -6.5 | 111.6 | E71 S72 A73 L75 E162 Y163 E164 L168 D194 | E71-R166 VanDerWaalsContact C-NH1 3.28Å; E71-R166 PolarHBondContact O-NH1 2.94Å; E71-R166 PolarHBondContact O-NH2 2.8Å; S72-R166 VanDerWaalsContact C-NH1 3.29Å; S72-R166 PolarHBondContact O-NH1 3.09Å; A73-R166 VanDerWaalsContact O-CD 3.26Å; A73-R166 WeakPolarHBondContact O-CD 3.32Å; L75-R166 HydrophobicContact CB-CG 3.95Å; E162-R166 PolarHBondContact O-NH2 3.2Å; Y163-R166 HydrophobicContact CD1-CB 4.42Å; Y163-R166 HydrophobicContact CD1-CG 4.08Å; Y163-R166 WeakPolarHBondContact O-CB 3.26Å; Y163-R166 PolarHBondContact O-N 3.05Å; E164-R166 PolarHBondContact O-N 3.07Å; R166-L168 PolarHBondContact O-N 3.31Å; R166-L168 VanDerWaalsContact O-N 3.15Å; R166-D194 PolarHBondContact O-N 3.24Å | ||
| 167 | R | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 25.7 Ų | 25.7 | 28% | 0.279 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 115.6 | 164.7 | -73.9 | 179.6 | 73.6 | -144.7 | -0.3 | 109.9 | P74 L75 F169 D194 Q196 I495 F497 | P74-R167 WeakPolarHBondContact CA-O 3.38Å; P74-R167 HydrophobicContact CB-CB 4.02Å; P74-R167 WeakPolarHBondContact CB-O 3.41Å; L75-R167 PolarHBondContact N-O 3.48Å; R167-F169 HydrophobicContact CB-CE2 4.29Å; R167-D194 CarbonylContact C-O 3.56Å; R167-D194 VanDerWaalsContact CA-O 3.29Å; R167-D194 WeakPolarHBondContact CA-O 2.97Å; R167-D194 HydrophobicContact CG-CB 4.46Å; R167-D194 VanDerWaalsContact CG-OD2 3.31Å; R167-D194 WeakPolarHBondContact CG-OD2 3.4Å; R167-Q196 HydrophobicContact CB-CG 4.07Å; R167-Q196 HydrophobicContact CG-CG 4.11Å; R167-I495 PolarHBondContact NH1-O 3.18Å; R167-I495 PolarHBondContact NH2-O 3.25Å; R167-F497 VanDerWaalsContact NH2-CE2 3.32Å |
| 168 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.3 | -174.9 | 177.5 | 63.9 | 0 | 0 | 0 | 111.2 | L75 V77 R166 V170 L187 F193 D194 F195 Q196 | L75-L168 HydrophobicContact CB-CD1 4.23Å; L75-L168 HydrophobicContact CD2-CD1 3.99Å; L75-L168 HydrophobicContact CG-CD1 4.05Å; L75-L168 WeakPolarHBondContact O-CA 3.2Å; V77-L168 HydrophobicContact CG2-CD1 3.78Å; R166-L168 PolarHBondContact O-N 3.31Å; R166-L168 VanDerWaalsContact O-N 3.15Å; L168-V170 HydrophobicContact CD2-CG2 4.39Å; L168-V170 HydrophobicContact CG-CG2 4.32Å; L168-L187 HydrophobicContact CD2-CD1 3.86Å; L168-L187 HydrophobicContact CD2-CD2 4.04Å; L168-F193 HydrophobicContact CB-CB 3.89Å; L168-F193 HydrophobicContact CB-CD1 4.23Å; L168-F193 HydrophobicContact CB-CG 4.24Å; L168-F193 HydrophobicContact CD2-CB 3.78Å; L168-F193 HydrophobicContact CD2-CD1 4.01Å; L168-F193 HydrophobicContact CD2-CD2 3.79Å; L168-F193 HydrophobicContact CD2-CE2 4.32Å; L168-F193 HydrophobicContact CD2-CG 3.6Å; L168-F193 HydrophobicContact CG-CB 4.49Å; L168-F193 HydrophobicContact CG-CG 4.47Å; L168-D194 PolarHBondContact N-O 2.92Å; L168-F195 HydrophobicContact CB-CD2 4.41Å; L168-F195 HydrophobicContact CD2-CD2 4.32Å; L168-F195 HydrophobicContact CG-CD2 4.24Å; L168-Q196 PolarHBondContact O-N 3.48Å |
| 169 | F | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.3 | 172.5 | -63.9 | -101.1 | 0 | 0 | 0 | 108.5 | P74 L75 I76 V77 R167 T171 Q196 A197 L494 I495 | P74-F169 HydrophobicContact CB-CD2 4.03Å; P74-F169 HydrophobicContact CB-CE2 3.79Å; P74-F169 HydrophobicContact CG-CE2 4.44Å; L75-F169 PolarHBondContact O-N 3.24Å; I76-F169 CarbonylContact C-O 3.42Å; I76-F169 WeakPolarHBondContact CA-O 3.26Å; I76-F169 HydrophobicContact CG1-CB 4.01Å; V77-F169 PolarHBondContact N-O 3.42Å; R167-F169 HydrophobicContact CB-CE2 4.29Å; F169-T171 HydrophobicContact CB-CG2 4.47Å; F169-Q196 HydrophobicContact CE1-CB 4.02Å; F169-Q196 HydrophobicContact CE2-CB 4.19Å; F169-Q196 HydrophobicContact CE2-CG 4.3Å; F169-Q196 HydrophobicContact CZ-CB 3.84Å; F169-Q196 HydrophobicContact CZ-CG 4.22Å; F169-A197 WeakPolarHBondContact CA-O 3.36Å; F169-A197 HydrophobicContact CD1-CB 3.71Å; F169-A197 HydrophobicContact CE1-CB 3.83Å; F169-L494 HydrophobicContact CD1-CD2 4.3Å; F169-L494 HydrophobicContact CD1-CG 4.24Å; F169-L494 HydrophobicContact CE1-CG 4.21Å; F169-I495 HydrophobicContact CE2-CG1 4.45Å; F169-I495 HydrophobicContact CZ-CG1 4.39Å |
| 170 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.7 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | L168 V180 L183 L187 F195 A197 I198 A199 | L168-V170 HydrophobicContact CD2-CG2 4.39Å; L168-V170 HydrophobicContact CG-CG2 4.32Å; V170-V180 HydrophobicContact CB-CG1 4.4Å; V170-V180 HydrophobicContact CG1-CB 4.37Å; V170-V180 HydrophobicContact CG1-CG1 4Å; V170-V180 HydrophobicContact CG1-CG2 4.21Å; V170-V180 WeakPolarHBondContact O-CG1 3.35Å; V170-L183 HydrophobicContact CG1-CD2 3.87Å; V170-L183 HydrophobicContact CG1-CG 4.48Å; V170-L187 HydrophobicContact CG2-CD1 3.57Å; V170-F195 HydrophobicContact CB-CE2 4.35Å; V170-F195 HydrophobicContact CG2-CD2 4.49Å; V170-F195 HydrophobicContact CG2-CE2 3.79Å; V170-F195 HydrophobicContact CG2-CZ 4.32Å; V170-A197 PolarHBondContact N-O 3.48Å; V170-A197 VanDerWaalsContact N-O 3.11Å; V170-I198 HydrophobicContact CB-CG2 4.32Å; V170-I198 CarbonylContact O-C 3.58Å; V170-I198 WeakPolarHBondContact O-CA 3.42Å; V170-A199 PolarHBondContact O-N 3.27Å |
| 171 | T | 99 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 156.8 | -171 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | I76 V77 W78 L79 W113 F169 A199 | I76-T171 HydrophobicContact CG2-CG2 3.86Å; I76-T171 VanDerWaalsContact CG2-OG1 3.24Å; I76-T171 WeakPolarHBondContact CG2-OG1 3.33Å; V77-T171 CarbonylContact O-C 3.49Å; V77-T171 WeakPolarHBondContact O-CA 3.18Å; V77-T171 PolarHBondContact O-N 2.62Å; V77-T171 VanDerWaalsContact O-O 3.07Å; V77-T171 PolarHBondContact O-OG1 2.83Å; W78-T171 WeakPolarHBondContact CA-O 3.39Å; L79-T171 PolarHBondContact N-O 2.63Å; W113-T171 HydrophobicContact CZ3-CG2 4.39Å; F169-T171 HydrophobicContact CB-CG2 4.47Å; T171-A199 CarbonylContact C-O 3.53Å; T171-A199 WeakPolarHBondContact CA-O 3.35Å; T171-A199 HydrophobicContact CG2-CB 3.82Å |
| 172 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 178.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L79 A199 V200 G201 | L79-G172 CarbonylContact O-C 3.59Å; L79-G172 WeakPolarHBondContact O-CA 3.43Å; G172-A199 PolarHBondContact N-O 2.94Å; G172-A199 VanDerWaalsContact N-O 3.1Å; G172-V200 WeakPolarHBondContact O-CA 3.26Å; G172-G201 PolarHBondContact O-N 3.01Å |
| 173 | E | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 1% | 0.014 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 153.9 | -175.7 | -170.6 | 171.3 | 98.5 | 0 | 0 | 113.2 | W78 L79 G81 Y175 A176 G201 H477 M478 | W78-E173 HydrophobicContact CH2-CB 4.18Å; W78-E173 HydrophobicContact CZ2-CB 4.22Å; L79-E173 PolarHBondContact O-N 2.99Å; G81-E173 PolarHBondContact N-O 3.26Å; E173-Y175 PolarHBondContact O-N 2.62Å; E173-A176 WeakPolarHBondContact O-CB 3.42Å; E173-A176 PolarHBondContact O-N 3.43Å; E173-G201 CarbonylContact C-O 3.59Å; E173-G201 VanDerWaalsContact CA-O 3.23Å; E173-G201 WeakPolarHBondContact CA-O 3.41Å; E173-G201 WeakPolarHBondContact CG-O 3.26Å; E173-H477 IonicContact OE1-CD2 2.73Å; E173-M478 WeakPolarHBondContact OE1-CA 3.41Å; E173-M478 WeakPolarHBondContact OE1-CG 3.23Å; E173-M478 WeakPolarHBondContact OE2-CA 3.32Å |
| 174 | S | 98.4 | Very high | 98.6 | Very high | 17 Ų | 17 | 13.1 Ų | 13.1 | 12% | 0.119 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -124.8 | 168.4 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | A176 G177 G201 N202 G203 L204 H477 | S174-A176 PolarHBondContact O-N 3.26Å; S174-G177 PolarHBondContact O-N 2.95Å; S174-G201 PolarHBondContact N-O 3.03Å; S174-N202 WeakPolarHBondContact CA-O 3.19Å; S174-N202 PolarHBondContact N-O 3.18Å; S174-G203 WeakPolarHBondContact O-CA 3.33Å; S174-L204 PolarHBondContact O-N 3.02Å; S174-H477 WeakPolarHBondContact CB-NE2 3.24Å; S174-H477 PolarHBondContact OG-NE2 3.28Å |
| 175 | Y | 98.5 | Very high | 98.7 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -15.2 | 172.7 | -158.1 | -86.4 | 0 | 0 | 0 | 113.1 | P83 D142 E173 G177 V178 Y179 L204 Y207 Y387 R389 | P83-Y175 HydrophobicContact CB-CD1 3.85Å; P83-Y175 HydrophobicContact CB-CD2 4.48Å; P83-Y175 HydrophobicContact CB-CE1 4.02Å; P83-Y175 HydrophobicContact CB-CG 4.11Å; P83-Y175 HydrophobicContact CG-CD1 4.47Å; P83-Y175 HydrophobicContact CG-CD2 4.31Å; P83-Y175 HydrophobicContact CG-CE1 4.44Å; P83-Y175 HydrophobicContact CG-CE2 4.21Å; P83-Y175 HydrophobicContact CG-CG 4.43Å; D142-Y175 WeakPolarHBondContact OD1-CE1 3.42Å; D142-Y175 PolarHBondContact OD1-OH 2.94Å; E173-Y175 PolarHBondContact O-N 2.62Å; Y175-G177 PolarHBondContact O-N 3.49Å; Y175-G177 VanDerWaalsContact O-N 3.13Å; Y175-V178 HydrophobicContact CD1-CB 4.22Å; Y175-V178 HydrophobicContact CD1-CG2 4.33Å; Y175-V178 HydrophobicContact CE1-CB 3.9Å; Y175-V178 HydrophobicContact CE1-CG1 4.29Å; Y175-V178 HydrophobicContact CE1-CG2 4.02Å; Y175-V178 HydrophobicContact CE2-CG2 4.33Å; Y175-V178 WeakPolarHBondContact O-CB 3.43Å; Y175-V178 PolarHBondContact O-N 2.89Å; Y175-Y179 HydrophobicContact CD1-CD1 4.05Å; Y175-Y179 AromaticContact CD1-CE1 3.41Å; Y175-Y179 HydrophobicContact CD1-CE1 3.41Å; Y175-Y179 VanDerWaalsContact CD1-CE1 3.41Å; Y175-Y179 HydrophobicContact CD1-CE2 4.04Å; Y175-Y179 AromaticContact CD1-CZ 3.44Å; Y175-Y179 VanDerWaalsContact CD1-CZ 3.44Å; Y175-Y179 HydrophobicContact CE1-CD1 4.18Å; Y175-Y179 AromaticContact CE1-CE1 3.51Å; Y175-Y179 HydrophobicContact CE1-CE1 3.51Å; Y175-Y179 AromaticContact CE1-CZ 3.96Å; Y175-Y179 PolarHBondContact O-N 3.1Å; Y175-L204 HydrophobicContact CD2-CD2 4.03Å; Y175-L204 HydrophobicContact CE2-CD2 4.35Å; Y175-Y207 VanDerWaalsContact CE2-OH 3.26Å; Y175-Y207 WeakPolarHBondContact CE2-OH 3.47Å; Y175-Y387 AromaticContact CE1-CE1 3.93Å; Y175-Y387 HydrophobicContact CE1-CE1 3.93Å; Y175-R389 HydrophobicContact CE2-CG 4.23Å; Y175-R389 WeakPolarHBondContact OH-CB 3.37Å; Y175-R389 VanDerWaalsContact OH-CG 3.28Å; Y175-R389 WeakPolarHBondContact OH-CG 3.45Å |
| 176 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.4 | -9.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113 | L79 E173 S174 V178 Y179 V180 | L79-A176 HydrophobicContact CB-CB 4Å; L79-A176 VanDerWaalsContact O-CB 3.23Å; L79-A176 WeakPolarHBondContact O-CB 3.23Å; E173-A176 WeakPolarHBondContact O-CB 3.42Å; E173-A176 PolarHBondContact O-N 3.43Å; S174-A176 PolarHBondContact O-N 3.26Å; A176-V178 PolarHBondContact O-N 2.91Å; A176-Y179 HydrophobicContact CB-CD2 3.96Å; A176-Y179 PolarHBondContact O-N 2.73Å; A176-V180 HydrophobicContact CB-CG2 4.14Å; A176-V180 WeakPolarHBondContact O-CB 3.08Å; A176-V180 VanDerWaalsContact O-CG2 3.29Å; A176-V180 WeakPolarHBondContact O-CG2 3.43Å; A176-V180 PolarHBondContact O-N 3.06Å |
| 177 | G | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.9 | -18.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S174 Y175 P181 | S174-G177 PolarHBondContact O-N 2.95Å; Y175-G177 PolarHBondContact O-N 3.49Å; Y175-G177 VanDerWaalsContact O-N 3.13Å; G177-P181 WeakPolarHBondContact O-CD 3.48Å; G177-P181 VanDerWaalsContact O-CG 3.3Å; G177-P181 WeakPolarHBondContact O-CG 3.33Å |
| 178 | V | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -93.5 | -49.2 | 166.7 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | D142 Y175 A176 V180 P181 T182 Y391 L394 | D142-V178 HydrophobicContact CB-CG1 4.08Å; D142-V178 WeakPolarHBondContact OD1-CG1 3.34Å; Y175-V178 HydrophobicContact CD1-CB 4.22Å; Y175-V178 HydrophobicContact CD1-CG2 4.33Å; Y175-V178 HydrophobicContact CE1-CB 3.9Å; Y175-V178 HydrophobicContact CE1-CG1 4.29Å; Y175-V178 HydrophobicContact CE1-CG2 4.02Å; Y175-V178 HydrophobicContact CE2-CG2 4.33Å; Y175-V178 WeakPolarHBondContact O-CB 3.43Å; Y175-V178 PolarHBondContact O-N 2.89Å; A176-V178 PolarHBondContact O-N 2.91Å; V178-V180 PolarHBondContact O-N 2.94Å; V178-P181 WeakPolarHBondContact O-CD 3.43Å; V178-T182 HydrophobicContact CG1-CG2 4.35Å; V178-T182 WeakPolarHBondContact O-CG2 3.17Å; V178-T182 PolarHBondContact O-N 2.78Å; V178-T182 PolarHBondContact O-OG1 2.78Å; V178-Y391 HydrophobicContact CG1-CD2 4.23Å; V178-L394 HydrophobicContact CG1-CD1 4.49Å; V178-L394 HydrophobicContact CG2-CD2 4.18Å |
| 179 | Y | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | -175.1 | -54.9 | -32.3 | 0 | 0 | 0 | 113.9 | P83 T145 Y175 A176 T182 L183 Y387 | P83-Y179 VanDerWaalsContact CA-OH 3.31Å; P83-Y179 WeakPolarHBondContact CA-OH 3.41Å; P83-Y179 WeakPolarHBondContact CB-OH 3.34Å; T145-Y179 HydrophobicContact CG2-CD1 3.94Å; T145-Y179 HydrophobicContact CG2-CE1 3.91Å; T145-Y179 HydrophobicContact CG2-CG 4.49Å; Y175-Y179 HydrophobicContact CD1-CD1 4.05Å; Y175-Y179 AromaticContact CD1-CE1 3.41Å; Y175-Y179 HydrophobicContact CD1-CE1 3.41Å; Y175-Y179 VanDerWaalsContact CD1-CE1 3.41Å; Y175-Y179 HydrophobicContact CD1-CE2 4.04Å; Y175-Y179 AromaticContact CD1-CZ 3.44Å; Y175-Y179 VanDerWaalsContact CD1-CZ 3.44Å; Y175-Y179 HydrophobicContact CE1-CD1 4.18Å; Y175-Y179 AromaticContact CE1-CE1 3.51Å; Y175-Y179 HydrophobicContact CE1-CE1 3.51Å; Y175-Y179 AromaticContact CE1-CZ 3.96Å; Y175-Y179 PolarHBondContact O-N 3.1Å; A176-Y179 HydrophobicContact CB-CD2 3.96Å; A176-Y179 PolarHBondContact O-N 2.73Å; Y179-T182 PolarHBondContact O-OG1 2.77Å; Y179-L183 WeakPolarHBondContact O-CB 3.41Å; Y179-L183 PolarHBondContact O-N 3.41Å; Y179-Y387 AromaticContact CE1-CZ 3.93Å; Y179-Y387 WeakPolarHBondContact CE1-OH 3.26Å |
| 180 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.9 | -53.1 | -176 | 167.7 | 0 | 0 | 0 | 0 | 109.8 | L79 V170 A176 V178 T182 S184 I198 V200 | L79-V180 HydrophobicContact CD1-CG2 4.45Å; V170-V180 HydrophobicContact CB-CG1 4.4Å; V170-V180 HydrophobicContact CG1-CB 4.37Å; V170-V180 HydrophobicContact CG1-CG1 4Å; V170-V180 HydrophobicContact CG1-CG2 4.21Å; V170-V180 WeakPolarHBondContact O-CG1 3.35Å; A176-V180 HydrophobicContact CB-CG2 4.14Å; A176-V180 WeakPolarHBondContact O-CB 3.08Å; A176-V180 VanDerWaalsContact O-CG2 3.29Å; A176-V180 WeakPolarHBondContact O-CG2 3.43Å; A176-V180 PolarHBondContact O-N 3.06Å; V178-V180 PolarHBondContact O-N 2.94Å; V180-T182 PolarHBondContact O-N 2.88Å; V180-S184 WeakPolarHBondContact O-CB 3.17Å; V180-S184 PolarHBondContact O-N 2.89Å; V180-S184 PolarHBondContact O-OG 2.73Å; V180-I198 HydrophobicContact CG1-CB 3.68Å; V180-I198 HydrophobicContact CG1-CD1 4.23Å; V180-I198 HydrophobicContact CG1-CG2 3.89Å; V180-V200 HydrophobicContact CB-CG2 3.87Å; V180-V200 HydrophobicContact CG1-CG2 3.75Å; V180-V200 HydrophobicContact CG2-CG2 4.35Å |
| 181 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.4 | -25.6 | 35.4 | 0 | 0 | 0 | 113.9 | G177 V178 S184 L185 L394 Q397 Y398 L401 | G177-P181 WeakPolarHBondContact O-CD 3.48Å; G177-P181 VanDerWaalsContact O-CG 3.3Å; G177-P181 WeakPolarHBondContact O-CG 3.33Å; V178-P181 WeakPolarHBondContact O-CD 3.43Å; P181-S184 WeakPolarHBondContact O-CB 3.27Å; P181-S184 PolarHBondContact O-N 2.82Å; P181-L185 WeakPolarHBondContact O-CG 3.48Å; P181-L185 PolarHBondContact O-N 3Å; P181-L394 HydrophobicContact CB-CD1 4.41Å; P181-Q397 HydrophobicContact CB-CB 3.83Å; P181-Y398 HydrophobicContact CB-CE2 4.3Å; P181-Y398 HydrophobicContact CG-CD2 4.12Å; P181-Y398 HydrophobicContact CG-CE1 4.45Å; P181-Y398 HydrophobicContact CG-CE2 3.46Å; P181-Y398 VanDerWaalsContact CG-CE2 3.46Å; P181-L401 HydrophobicContact CB-CD1 4.13Å |
| 182 | T | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.5 | -42.4 | -176.6 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | V178 Y179 V180 S184 L185 Y391 | V178-T182 HydrophobicContact CG1-CG2 4.35Å; V178-T182 WeakPolarHBondContact O-CG2 3.17Å; V178-T182 PolarHBondContact O-N 2.78Å; V178-T182 PolarHBondContact O-OG1 2.78Å; Y179-T182 PolarHBondContact O-OG1 2.77Å; V180-T182 PolarHBondContact O-N 2.88Å; T182-S184 VanDerWaalsContact C-N 3.3Å; T182-S184 PolarHBondContact O-N 3.3Å; T182-L185 PolarHBondContact O-N 2.95Å; T182-Y391 HydrophobicContact CG2-CD2 3.82Å; T182-Y391 HydrophobicContact CG2-CE2 3.63Å |
| 183 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 170.5 | 172.4 | 57.5 | 0 | 0 | 0 | 111.3 | L79 N149 L153 V170 Y179 L185 L186 L187 | L79-L183 HydrophobicContact CD1-CD2 4.19Å; N149-L183 HydrophobicContact CB-CD1 3.97Å; N149-L183 HydrophobicContact CB-CD2 4.11Å; L153-L183 HydrophobicContact CD1-CD1 4.27Å; L153-L183 HydrophobicContact CD1-CD2 4.29Å; V170-L183 HydrophobicContact CG1-CD2 3.87Å; V170-L183 HydrophobicContact CG1-CG 4.48Å; Y179-L183 WeakPolarHBondContact O-CB 3.41Å; Y179-L183 PolarHBondContact O-N 3.41Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L183-L185 PolarHBondContact O-N 3.4Å; L183-L186 WeakPolarHBondContact O-CB 3.24Å; L183-L186 PolarHBondContact O-N 2.9Å; L183-L186 VanDerWaalsContact O-N 3.1Å; L183-L187 HydrophobicContact CD1-CD1 4.35Å; L183-L187 HydrophobicContact CD1-CG 4.45Å; L183-L187 HydrophobicContact CG-CD1 4.07Å; L183-L187 PolarHBondContact O-N 2.83Å; L183-L187 VanDerWaalsContact O-N 3.13Å |
| 184 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -34.7 | -176.6 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | V180 P181 T182 L186 L187 L188 F195 I198 | V180-S184 WeakPolarHBondContact O-CB 3.17Å; V180-S184 PolarHBondContact O-N 2.89Å; V180-S184 PolarHBondContact O-OG 2.73Å; P181-S184 WeakPolarHBondContact O-CB 3.27Å; P181-S184 PolarHBondContact O-N 2.82Å; T182-S184 VanDerWaalsContact C-N 3.3Å; T182-S184 PolarHBondContact O-N 3.3Å; S184-L186 VanDerWaalsContact C-N 3.3Å; S184-L186 PolarHBondContact O-N 2.9Å; S184-L187 WeakPolarHBondContact O-CB 3.41Å; S184-L187 PolarHBondContact O-N 2.93Å; S184-L188 WeakPolarHBondContact O-CG 3.31Å; S184-L188 PolarHBondContact O-N 3.49Å; S184-L188 VanDerWaalsContact O-N 3.15Å; S184-F195 WeakPolarHBondContact OG-CZ 3.31Å; S184-I198 WeakPolarHBondContact OG-CG2 3.41Å |
| 185 | L | 98.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -36.1 | 173.8 | -69.4 | -178.3 | 0 | 0 | 0 | 112.7 | P181 T182 L183 L188 Q397 Q400 L401 | P181-L185 WeakPolarHBondContact O-CG 3.48Å; P181-L185 PolarHBondContact O-N 3Å; T182-L185 PolarHBondContact O-N 2.95Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L183-L185 PolarHBondContact O-N 3.4Å; L185-L188 HydrophobicContact CD2-CD1 3.94Å; L185-L188 PolarHBondContact O-N 2.78Å; L185-Q397 HydrophobicContact CD1-CB 4.04Å; L185-Q397 HydrophobicContact CD1-CG 3.76Å; L185-Q400 HydrophobicContact CD2-CB 3.66Å; L185-L401 HydrophobicContact CD2-CD2 3.93Å; L185-L401 HydrophobicContact CD2-CG 3.93Å |
| 186 | L | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 31.5 Ų | 31.5 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.4 | -36.3 | 174.8 | -60.4 | 179.4 | 0 | 0 | 0 | 111.5 | A146 Y150 L183 S184 L188 N189 | A146-L186 HydrophobicContact CB-CD1 4.05Å; A146-L186 WeakPolarHBondContact O-CD1 3.35Å; Y150-L186 HydrophobicContact CD1-CB 4.47Å; Y150-L186 HydrophobicContact CD2-CB 3.84Å; Y150-L186 HydrophobicContact CE2-CB 4.42Å; Y150-L186 HydrophobicContact CG-CB 3.88Å; Y150-L186 HydrophobicContact CG-CD1 4.24Å; L183-L186 WeakPolarHBondContact O-CB 3.24Å; L183-L186 PolarHBondContact O-N 2.9Å; L183-L186 VanDerWaalsContact O-N 3.1Å; S184-L186 VanDerWaalsContact C-N 3.3Å; S184-L186 PolarHBondContact O-N 2.9Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 3.05Å; L186-N189 PolarHBondContact O-N 2.82Å |
| 187 | L | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.8 | -26.5 | 177.4 | -74.3 | 166.6 | 0 | 0 | 0 | 113.6 | Y150 L153 L168 V170 L183 S184 N189 S190 F193 F195 | Y150-L187 HydrophobicContact CD2-CD2 4.04Å; Y150-L187 HydrophobicContact CD2-CG 4.29Å; Y150-L187 HydrophobicContact CE2-CD2 4.15Å; L153-L187 HydrophobicContact CD1-CD1 4.12Å; L153-L187 HydrophobicContact CD1-CD2 4.06Å; L168-L187 HydrophobicContact CD2-CD1 3.86Å; L168-L187 HydrophobicContact CD2-CD2 4.04Å; V170-L187 HydrophobicContact CG2-CD1 3.57Å; L183-L187 HydrophobicContact CD1-CD1 4.35Å; L183-L187 HydrophobicContact CD1-CG 4.45Å; L183-L187 HydrophobicContact CG-CD1 4.07Å; L183-L187 PolarHBondContact O-N 2.83Å; L183-L187 VanDerWaalsContact O-N 3.13Å; S184-L187 WeakPolarHBondContact O-CB 3.41Å; S184-L187 PolarHBondContact O-N 2.93Å; L187-N189 PolarHBondContact O-N 3.36Å; L187-N189 VanDerWaalsContact O-N 3.14Å; L187-S190 WeakPolarHBondContact O-CB 3.4Å; L187-S190 PolarHBondContact O-N 2.85Å; L187-F193 HydrophobicContact CD2-CD2 4Å; L187-F193 HydrophobicContact CD2-CE2 4.29Å; L187-F195 HydrophobicContact CB-CD1 3.94Å; L187-F195 HydrophobicContact CB-CE1 4.15Å; L187-F195 HydrophobicContact CB-CG 4.43Å |
| 188 | L | 97.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 31.5 Ų | 31.5 | 28% | 0.277 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.9 | 176 | -67.1 | -178.2 | 0 | 0 | 0 | 113.2 | S184 L185 L186 S190 F195 L401 S404 I406 | S184-L188 WeakPolarHBondContact O-CG 3.31Å; S184-L188 PolarHBondContact O-N 3.49Å; S184-L188 VanDerWaalsContact O-N 3.15Å; L185-L188 HydrophobicContact CD2-CD1 3.94Å; L185-L188 PolarHBondContact O-N 2.78Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 3.05Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-F195 HydrophobicContact CD2-CD1 4.19Å; L188-F195 HydrophobicContact CD2-CE1 4.21Å; L188-L401 HydrophobicContact CD1-CD2 4.16Å; L188-L401 HydrophobicContact CD2-CD2 4.24Å; L188-L401 HydrophobicContact CG-CD2 4.22Å; L188-S404 WeakPolarHBondContact CD1-OG 3.36Å; L188-I406 HydrophobicContact CD2-CD1 3.94Å; L188-I406 HydrophobicContact CD2-CG1 3.57Å |
| 189 | N | 93 | Very high | 97.8 | Very high | 141 Ų | 141 | 31.5 Ų | 31.5 | 75% | 0.754 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -3.6 | -179.9 | -65.2 | -41.2 | 0 | 0 | 0 | 113.2 | L186 L187 | L186-N189 PolarHBondContact O-N 2.82Å; L187-N189 PolarHBondContact O-N 3.36Å; L187-N189 VanDerWaalsContact O-N 3.14Å |
| 190 | S | 94.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 12% | 0.119 | 17% | 0.166 | C | C | . | . | trans | -98.6 | 129.8 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | L187 L188 R192 | L187-S190 WeakPolarHBondContact O-CB 3.4Å; L187-S190 PolarHBondContact O-N 2.85Å; L188-S190 VanDerWaalsContact C-N 3.34Å; S190-R192 VanDerWaalsContact C-N 3.33Å; S190-R192 WeakPolarHBondContact OG-CB 3.47Å; S190-R192 PolarHBondContact OG-N 3.46Å | ||
| 191 | T | 95.2 | Very high | 97.8 | Very high | 137 Ų | 137 | 31.4 Ų | 31.4 | 84% | 0.84 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -93.2 | 6 | 170.8 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | F193 | T191-F193 VanDerWaalsContact C-N 3.33Š|
| 192 | R | 97.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 31.4 Ų | 31.4 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -81.6 | -15.3 | -173.2 | -59.4 | -165.8 | 68.7 | -170.2 | -1.9 | 113.8 | L154 L157 E164 G165 S190 | L154-R192 PolarHBondContact O-NH1 3.35Å; L157-R192 HydrophobicContact CD1-CB 3.56Å; L157-R192 HydrophobicContact CD1-CG 4.49Å; E164-R192 VanDerWaalsContact OE1-CA 3.3Å; E164-R192 WeakPolarHBondContact OE1-CA 3.23Å; E164-R192 WeakPolarHBondContact OE1-CB 3.11Å; E164-R192 VanDerWaalsContact OE1-CG 3.29Å; E164-R192 WeakPolarHBondContact OE1-CG 3.23Å; E164-R192 IonicContact OE1-NE 3.09Å; E164-R192 PolarHBondContact OE1-NE 2.99Å; E164-R192 VanDerWaalsContact OE1-NE 3.09Å; E164-R192 IonicContact OE2-CZ 3.4Å; E164-R192 IonicContact OE2-NE 3.2Å; E164-R192 PolarHBondContact OE2-NE 3.48Å; E164-R192 IonicContact OE2-NH2 2.76Å; E164-R192 PolarHBondContact OE2-NH2 2.58Å; G165-R192 PolarHBondContact N-O 3.38Å; S190-R192 VanDerWaalsContact C-N 3.33Å; S190-R192 WeakPolarHBondContact OG-CB 3.47Å; S190-R192 PolarHBondContact OG-N 3.46Å |
| 193 | F | 97.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -127.1 | 151 | 174.2 | -63.1 | -77.8 | 0 | 0 | 0 | 109.3 | L75 L153 L157 L168 L187 T191 F195 | L75-F193 HydrophobicContact CD2-CE1 4.08Å; L153-F193 HydrophobicContact CB-CE2 4.11Å; L153-F193 HydrophobicContact CB-CZ 4.24Å; L157-F193 HydrophobicContact CD1-CD1 4.4Å; L157-F193 HydrophobicContact CD1-CD2 4.21Å; L157-F193 HydrophobicContact CD1-CE1 3.84Å; L157-F193 HydrophobicContact CD1-CE2 3.6Å; L157-F193 HydrophobicContact CD1-CZ 3.41Å; L157-F193 VanDerWaalsContact CD1-CZ 3.41Å; L157-F193 HydrophobicContact CD2-CD1 4.42Å; L157-F193 HydrophobicContact CD2-CE1 3.58Å; L157-F193 HydrophobicContact CD2-CZ 3.79Å; L157-F193 HydrophobicContact CG-CE1 3.85Å; L157-F193 HydrophobicContact CG-CE2 4.17Å; L157-F193 HydrophobicContact CG-CZ 3.48Å; L157-F193 VanDerWaalsContact CG-CZ 3.48Å; L168-F193 HydrophobicContact CB-CB 3.89Å; L168-F193 HydrophobicContact CB-CD1 4.23Å; L168-F193 HydrophobicContact CB-CG 4.24Å; L168-F193 HydrophobicContact CD2-CB 3.78Å; L168-F193 HydrophobicContact CD2-CD1 4.01Å; L168-F193 HydrophobicContact CD2-CD2 3.79Å; L168-F193 HydrophobicContact CD2-CE2 4.32Å; L168-F193 HydrophobicContact CD2-CG 3.6Å; L168-F193 HydrophobicContact CG-CB 4.49Å; L168-F193 HydrophobicContact CG-CG 4.47Å; L187-F193 HydrophobicContact CD2-CD2 4Å; L187-F193 HydrophobicContact CD2-CE2 4.29Å; T191-F193 VanDerWaalsContact C-N 3.33Å; F193-F195 PolarHBondContact O-N 2.74Å |
| 194 | D | 97.9 | Very high | 97.8 | Very high | 72 Ų | 72 | 31.3 Ų | 31.3 | 39% | 0.385 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 84.6 | 163.4 | 179.2 | 22.5 | 0 | 0 | 0 | 107.6 | R166 R167 L168 Q196 | R166-D194 PolarHBondContact O-N 3.24Å; R167-D194 CarbonylContact C-O 3.56Å; R167-D194 VanDerWaalsContact CA-O 3.29Å; R167-D194 WeakPolarHBondContact CA-O 2.97Å; R167-D194 HydrophobicContact CG-CB 4.46Å; R167-D194 VanDerWaalsContact CG-OD2 3.31Å; R167-D194 WeakPolarHBondContact CG-OD2 3.4Å; L168-D194 PolarHBondContact N-O 2.92Å; D194-Q196 WeakPolarHBondContact O-CG 3.45Å; D194-Q196 PolarHBondContact O-N 2.98Å; D194-Q196 PolarHBondContact OD1-NE2 3.37Å; D194-Q196 PolarHBondContact OD2-NE2 3.4Å |
| 195 | F | 98.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 10% | 0.101 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 116.4 | -172.9 | -178.2 | -145.2 | 0 | 0 | 0 | 111.8 | L168 V170 S184 L187 L188 F193 I198 L401 I406 | L168-F195 HydrophobicContact CB-CD2 4.41Å; L168-F195 HydrophobicContact CD2-CD2 4.32Å; L168-F195 HydrophobicContact CG-CD2 4.24Å; V170-F195 HydrophobicContact CB-CE2 4.35Å; V170-F195 HydrophobicContact CG2-CD2 4.49Å; V170-F195 HydrophobicContact CG2-CE2 3.79Å; V170-F195 HydrophobicContact CG2-CZ 4.32Å; S184-F195 WeakPolarHBondContact OG-CZ 3.31Å; L187-F195 HydrophobicContact CB-CD1 3.94Å; L187-F195 HydrophobicContact CB-CE1 4.15Å; L187-F195 HydrophobicContact CB-CG 4.43Å; L188-F195 HydrophobicContact CD2-CD1 4.19Å; L188-F195 HydrophobicContact CD2-CE1 4.21Å; F193-F195 PolarHBondContact O-N 2.74Å; F195-I198 HydrophobicContact CE2-CG2 4.16Å; F195-I198 HydrophobicContact CZ-CG2 3.71Å; F195-L401 HydrophobicContact CE1-CD2 4.4Å; F195-I406 HydrophobicContact CB-CD1 4.49Å; F195-I406 HydrophobicContact CD1-CD1 3.49Å; F195-I406 VanDerWaalsContact CD1-CD1 3.49Å; F195-I406 HydrophobicContact CD1-CG1 4.13Å; F195-I406 HydrophobicContact CE1-CD1 3.74Å; F195-I406 HydrophobicContact CE1-CG1 3.88Å; F195-I406 HydrophobicContact CE1-CG2 4.24Å; F195-I406 HydrophobicContact CG-CD1 3.98Å; F195-I406 HydrophobicContact CZ-CD1 4.4Å; F195-I406 HydrophobicContact CZ-CG1 4.5Å; F195-I406 HydrophobicContact CZ-CG2 4.02Å; F195-I406 WeakPolarHBondContact O-CD1 3.26Å |
| 196 | Q | 98.2 | Very high | 97.7 | Very high | 40 Ų | 40 | 30.1 Ų | 30.1 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -54.1 | -165.6 | -66.1 | -66.7 | -75.1 | 0 | 0 | 113.4 | R167 L168 F169 D194 F407 F497 | R167-Q196 HydrophobicContact CB-CG 4.07Å; R167-Q196 HydrophobicContact CG-CG 4.11Å; L168-Q196 PolarHBondContact O-N 3.48Å; F169-Q196 HydrophobicContact CE1-CB 4.02Å; F169-Q196 HydrophobicContact CE2-CB 4.19Å; F169-Q196 HydrophobicContact CE2-CG 4.3Å; F169-Q196 HydrophobicContact CZ-CB 3.84Å; F169-Q196 HydrophobicContact CZ-CG 4.22Å; D194-Q196 WeakPolarHBondContact O-CG 3.45Å; D194-Q196 PolarHBondContact O-N 2.98Å; D194-Q196 PolarHBondContact OD1-NE2 3.37Å; D194-Q196 PolarHBondContact OD2-NE2 3.4Å; Q196-F407 PolarHBondContact O-N 3.26Å; Q196-F497 HydrophobicContact CB-CE2 4.49Å; Q196-F497 HydrophobicContact CB-CZ 4.04Å |
| 197 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 160.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F169 V170 F407 L494 F497 | F169-A197 WeakPolarHBondContact CA-O 3.36Å; F169-A197 HydrophobicContact CD1-CB 3.71Å; F169-A197 HydrophobicContact CE1-CB 3.83Å; V170-A197 PolarHBondContact N-O 3.48Å; V170-A197 VanDerWaalsContact N-O 3.11Å; A197-F407 CarbonylContact C-O 3.58Å; A197-F407 WeakPolarHBondContact CA-O 3.29Å; A197-F407 HydrophobicContact CB-CB 3.81Å; A197-F407 HydrophobicContact CB-CD1 4.33Å; A197-F407 VanDerWaalsContact CB-O 3.32Å; A197-F407 WeakPolarHBondContact CB-O 3.13Å; A197-L494 HydrophobicContact CB-CD1 4.06Å; A197-F497 HydrophobicContact CB-CE1 4.47Å |
| 198 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 150.3 | 165.6 | 64.1 | 162.1 | 0 | 0 | 0 | 111.3 | V170 V180 S184 F195 Y398 L401 I406 F407 V408 L409 | V170-I198 HydrophobicContact CB-CG2 4.32Å; V170-I198 CarbonylContact O-C 3.58Å; V170-I198 WeakPolarHBondContact O-CA 3.42Å; V180-I198 HydrophobicContact CG1-CB 3.68Å; V180-I198 HydrophobicContact CG1-CD1 4.23Å; V180-I198 HydrophobicContact CG1-CG2 3.89Å; S184-I198 WeakPolarHBondContact OG-CG2 3.41Å; F195-I198 HydrophobicContact CE2-CG2 4.16Å; F195-I198 HydrophobicContact CZ-CG2 3.71Å; I198-Y398 HydrophobicContact CD1-CD1 4.18Å; I198-Y398 HydrophobicContact CD1-CE1 3.7Å; I198-L401 HydrophobicContact CD1-CD1 3.79Å; I198-I406 HydrophobicContact CG2-CG2 4.26Å; I198-F407 PolarHBondContact N-O 3.44Å; I198-V408 HydrophobicContact CD1-CG1 4.12Å; I198-V408 HydrophobicContact CD1-CG2 4.1Å; I198-V408 HydrophobicContact CG1-CB 4.22Å; I198-V408 HydrophobicContact CG1-CG1 4.08Å; I198-V408 HydrophobicContact CG1-CG2 3.87Å; I198-L409 PolarHBondContact O-N 3.06Å |
| 199 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 125.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V170 T171 G172 L409 Y411 I491 L494 | V170-A199 PolarHBondContact O-N 3.27Å; T171-A199 CarbonylContact C-O 3.53Å; T171-A199 WeakPolarHBondContact CA-O 3.35Å; T171-A199 HydrophobicContact CG2-CB 3.82Å; G172-A199 PolarHBondContact N-O 2.94Å; G172-A199 VanDerWaalsContact N-O 3.1Å; A199-L409 CarbonylContact C-O 3.52Å; A199-L409 VanDerWaalsContact CA-O 3.23Å; A199-L409 WeakPolarHBondContact CA-O 3.11Å; A199-L409 HydrophobicContact CB-CB 4.04Å; A199-L409 HydrophobicContact CB-CD2 4.07Å; A199-L409 HydrophobicContact CB-CG 4.34Å; A199-Y411 HydrophobicContact CB-CE1 4.15Å; A199-I491 HydrophobicContact CB-CD1 4.41Å; A199-L494 HydrophobicContact CB-CD2 3.69Å |
| 200 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118.8 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | G172 V180 Y398 L409 Y411 | G172-V200 WeakPolarHBondContact O-CA 3.26Å; V180-V200 HydrophobicContact CB-CG2 3.87Å; V180-V200 HydrophobicContact CG1-CG2 3.75Å; V180-V200 HydrophobicContact CG2-CG2 4.35Å; V200-Y398 WeakPolarHBondContact CG2-OH 3.42Å; V200-L409 PolarHBondContact N-O 3.01Å; V200-Y411 WeakPolarHBondContact O-CD1 2.95Å; V200-Y411 PolarHBondContact O-N 3.09Å |
| 201 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G172 E173 S174 G203 Y411 | G172-G201 PolarHBondContact O-N 3.01Å; E173-G201 CarbonylContact C-O 3.59Å; E173-G201 VanDerWaalsContact CA-O 3.23Å; E173-G201 WeakPolarHBondContact CA-O 3.41Å; E173-G201 WeakPolarHBondContact CG-O 3.26Å; S174-G201 PolarHBondContact N-O 3.03Å; G201-G203 VanDerWaalsContact C-N 3.26Å; G201-G203 PolarHBondContact O-N 3.48Å; G201-G203 VanDerWaalsContact O-N 3.09Å; G201-Y411 CarbonylContact C-O 3.55Å; G201-Y411 VanDerWaalsContact CA-O 3.26Å; G201-Y411 WeakPolarHBondContact CA-O 3.39Å |
| 202 | N | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 42.4 | 54.9 | 172.6 | -71.4 | 69.7 | 0 | 0 | 0 | 111.9 | S174 Y411 N412 G413 D416 C419 H477 V479 | S174-N202 WeakPolarHBondContact CA-O 3.19Å; S174-N202 PolarHBondContact N-O 3.18Å; N202-Y411 PolarHBondContact N-O 3.26Å; N202-N412 WeakPolarHBondContact OD1-CA 3.47Å; N202-G413 PolarHBondContact ND2-N 2.66Å; N202-G413 PolarHBondContact OD1-N 3.12Å; N202-D416 WeakPolarHBondContact ND2-CB 3.49Å; N202-D416 VanDerWaalsContact ND2-CG 3.31Å; N202-D416 PolarHBondContact ND2-OD2 3.28Å; N202-C419 HydrophobicContact CB-CB 4.19Å; N202-C419 PolarHBondContact ND2-O 3.31Å; N202-C419 WeakPolarHBondContact O-CB 3.47Å; N202-C419 PolarHBondContact O-SG 3.3Å; N202-H477 PolarHBondContact OD1-O 3.04Å; N202-V479 WeakPolarHBondContact OD1-CG2 3.31Å |
| 203 | G | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 14 Ų | 14 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | trans | -88.8 | 142.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113 | S174 G201 T205 D424 | S174-G203 WeakPolarHBondContact O-CA 3.33Å; G201-G203 VanDerWaalsContact C-N 3.26Å; G201-G203 PolarHBondContact O-N 3.48Å; G201-G203 VanDerWaalsContact O-N 3.09Å; G203-T205 VanDerWaalsContact C-N 3.33Å; G203-T205 PolarHBondContact O-N 2.82Å; G203-D424 PolarHBondContact N-OD2 3.47Å; G203-D424 VanDerWaalsContact O-OD2 3.07Å | ||
| 204 | L | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | trans | -80.6 | 82.4 | 167.2 | -171 | 55.9 | 0 | 0 | 0 | 110.4 | S174 Y175 Y207 N210 N317 | S174-L204 PolarHBondContact O-N 3.02Å; Y175-L204 HydrophobicContact CD2-CD2 4.03Å; Y175-L204 HydrophobicContact CE2-CD2 4.35Å; L204-Y207 HydrophobicContact CD1-CD1 4.35Å; L204-Y207 HydrophobicContact CD1-CE1 4.44Å; L204-Y207 HydrophobicContact CD1-CG 4.41Å; L204-Y207 HydrophobicContact CD2-CD1 4.25Å; L204-Y207 HydrophobicContact CD2-CE1 3.54Å; L204-Y207 HydrophobicContact CD2-CE2 3.93Å; L204-Y207 VanDerWaalsContact CD2-OH 3.28Å; L204-Y207 WeakPolarHBondContact CD2-OH 3.45Å; L204-Y207 HydrophobicContact CG-CD2 4.41Å; L204-Y207 HydrophobicContact CG-CE1 4.3Å; L204-Y207 HydrophobicContact CG-CE2 4.1Å; L204-N210 HydrophobicContact CD1-CB 4.04Å; L204-N317 HydrophobicContact CD2-CB 4.16Å | ||
| 205 | T | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.012 | 4% | 0.043 | C | C | . | . | trans | -90.9 | -32.1 | -176.4 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | G203 L394 Y398 D424 F427 | G203-T205 VanDerWaalsContact C-N 3.33Å; G203-T205 PolarHBondContact O-N 2.82Å; T205-L394 WeakPolarHBondContact O-CB 3.38Å; T205-L394 WeakPolarHBondContact O-CD2 2.89Å; T205-L394 PolarHBondContact O-N 2.97Å; T205-Y398 HydrophobicContact CG2-CE2 4.1Å; T205-D424 WeakPolarHBondContact CB-OD1 3.43Å; T205-D424 WeakPolarHBondContact CG2-OD1 2.94Å; T205-D424 PolarHBondContact OG1-OD1 2.6Å; T205-F427 HydrophobicContact CG2-CD1 4.07Å; T205-F427 HydrophobicContact CG2-CE1 4.15Å; T205-F427 WeakPolarHBondContact OG1-CG 3.35Å | ||
| 206 | N | 98.2 | Very high | 97.9 | Very high | 8 Ų | 8 | 10.2 Ų | 10.2 | 4% | 0.043 | 4% | 0.044 | C | C | . | . | B | Isolated β-bridge | trans | -150.4 | 114.1 | 177.3 | -172.9 | -56.4 | 0 | 0 | 0 | 110.3 | R208 F209 N210 D393 F427 | N206-R208 VanDerWaalsContact C-N 3.3Å; N206-R208 PolarHBondContact O-N 3.42Å; N206-R208 WeakPolarHBondContact OD1-CA 3.1Å; N206-R208 WeakPolarHBondContact OD1-CB 3.16Å; N206-R208 PolarHBondContact OD1-N 2.91Å; N206-F209 HydrophobicContact CB-CB 4.17Å; N206-F209 HydrophobicContact CB-CD2 3.7Å; N206-F209 HydrophobicContact CB-CE2 4.46Å; N206-F209 HydrophobicContact CB-CG 4.19Å; N206-F209 VanDerWaalsContact CG-CD2 3.49Å; N206-F209 PolarHBondContact O-N 3.32Å; N206-F209 PolarHBondContact OD1-N 2.83Å; N206-N210 WeakPolarHBondContact O-CB 3.37Å; N206-N210 PolarHBondContact O-N 3.04Å; N206-D393 PolarHBondContact ND2-OD1 2.93Å; N206-D393 PolarHBondContact ND2-OD2 3.42Å; N206-F427 HydrophobicContact CB-CD2 3.97Å |
| 207 | Y | 97.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 2% | 0.016 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | -177.8 | -79.5 | -96.7 | 0 | 0 | 0 | 112.6 | Y175 L204 N210 D211 N317 R389 R392 | Y175-Y207 VanDerWaalsContact CE2-OH 3.26Å; Y175-Y207 WeakPolarHBondContact CE2-OH 3.47Å; L204-Y207 HydrophobicContact CD1-CD1 4.35Å; L204-Y207 HydrophobicContact CD1-CE1 4.44Å; L204-Y207 HydrophobicContact CD1-CG 4.41Å; L204-Y207 HydrophobicContact CD2-CD1 4.25Å; L204-Y207 HydrophobicContact CD2-CE1 3.54Å; L204-Y207 HydrophobicContact CD2-CE2 3.93Å; L204-Y207 VanDerWaalsContact CD2-OH 3.28Å; L204-Y207 WeakPolarHBondContact CD2-OH 3.45Å; L204-Y207 HydrophobicContact CG-CD2 4.41Å; L204-Y207 HydrophobicContact CG-CE1 4.3Å; L204-Y207 HydrophobicContact CG-CE2 4.1Å; Y207-N210 PolarHBondContact O-N 2.89Å; Y207-D211 WeakPolarHBondContact O-CB 3.28Å; Y207-D211 VanDerWaalsContact O-CG 3.3Å; Y207-D211 PolarHBondContact O-N 3.25Å; Y207-N317 WeakPolarHBondContact CD1-O 3.29Å; Y207-N317 WeakPolarHBondContact CE1-O 3.34Å; Y207-R389 WeakPolarHBondContact OH-CD 3.23Å; Y207-R392 HydrophobicContact CD2-CB 4.2Å; Y207-R392 WeakPolarHBondContact CD2-O 2.95Å; Y207-R392 PolarHBondContact N-O 3.06Å; Y207-R392 VanDerWaalsContact N-O 3.07Å |
| 208 | R | 96.4 | Very high | 97.7 | Very high | 97 Ų | 97 | 8.3 Ų | 8.3 | 37% | 0.366 | 4% | 0.035 | S | C | . | . | H | α-helix | trans | -66.3 | -41.9 | -177.2 | 178.1 | 176.4 | 173.2 | -98.4 | 10.8 | 110.7 | N206 N212 M246 D249 | N206-R208 VanDerWaalsContact C-N 3.3Å; N206-R208 PolarHBondContact O-N 3.42Å; N206-R208 WeakPolarHBondContact OD1-CA 3.1Å; N206-R208 WeakPolarHBondContact OD1-CB 3.16Å; N206-R208 PolarHBondContact OD1-N 2.91Å; R208-N212 WeakPolarHBondContact O-CB 3.43Å; R208-N212 PolarHBondContact O-N 3.39Å; R208-N212 PolarHBondContact O-ND2 3.45Å; R208-M246 HydrophobicContact CG-SD 4.35Å; R208-D249 IonicContact CZ-OD1 2.62Å; R208-D249 IonicContact CZ-OD2 2.82Å; R208-D249 IonicContact NE-OD1 3.73Å; R208-D249 PolarHBondContact NE-OD1 2.83Å; R208-D249 IonicContact NE-OD2 3.3Å; R208-D249 PolarHBondContact NE-OD2 3.42Å; R208-D249 IonicContact NH2-OD1 3.28Å; R208-D249 IonicContact NH2-OD2 3.05Å; R208-D249 PolarHBondContact NH2-OD2 3.5Å |
| 209 | F | 97.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 9.6 Ų | 9.6 | 7% | 0.066 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69.6 | -46.1 | 176.2 | -63 | -29.2 | 0 | 0 | 0 | 111.8 | N206 D211 N212 S213 M246 W426 F427 N430 | N206-F209 HydrophobicContact CB-CB 4.17Å; N206-F209 HydrophobicContact CB-CD2 3.7Å; N206-F209 HydrophobicContact CB-CE2 4.46Å; N206-F209 HydrophobicContact CB-CG 4.19Å; N206-F209 VanDerWaalsContact CG-CD2 3.49Å; N206-F209 PolarHBondContact O-N 3.32Å; N206-F209 PolarHBondContact OD1-N 2.83Å; F209-D211 PolarHBondContact O-N 2.97Å; F209-N212 PolarHBondContact O-N 3.19Å; F209-S213 VanDerWaalsContact O-CB 3.22Å; F209-S213 WeakPolarHBondContact O-CB 3.45Å; F209-S213 PolarHBondContact O-N 2.81Å; F209-S213 PolarHBondContact O-OG 2.78Å; F209-M246 HydrophobicContact CD1-CE 3.72Å; F209-M246 HydrophobicContact CD1-SD 4.09Å; F209-M246 HydrophobicContact CE1-CE 3.71Å; F209-M246 HydrophobicContact CE1-SD 4.32Å; F209-W426 HydrophobicContact CB-CB 4.32Å; F209-W426 HydrophobicContact CB-CE3 4.28Å; F209-W426 HydrophobicContact CD1-CE3 4.27Å; F209-W426 HydrophobicContact CD2-CB 4.26Å; F209-W426 HydrophobicContact CG-CB 4.14Å; F209-F427 HydrophobicContact CD2-CB 4.06Å; F209-N430 HydrophobicContact CE2-CB 3.72Å; F209-N430 HydrophobicContact CZ-CB 3.96Å |
| 210 | N | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 4% | 0.043 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 179.7 | -169.4 | 53.4 | 0 | 0 | 0 | 112.8 | L204 N206 Y207 S213 L214 L318 A418 C419 N420 | L204-N210 HydrophobicContact CD1-CB 4.04Å; N206-N210 WeakPolarHBondContact O-CB 3.37Å; N206-N210 PolarHBondContact O-N 3.04Å; Y207-N210 PolarHBondContact O-N 2.89Å; N210-S213 PolarHBondContact O-OG 2.85Å; N210-L214 WeakPolarHBondContact O-CB 3.34Å; N210-L214 PolarHBondContact O-N 3.18Å; N210-L214 VanDerWaalsContact O-N 3.12Å; N210-L318 VanDerWaalsContact ND2-CD2 3.31Å; N210-L318 WeakPolarHBondContact ND2-CD2 3.38Å; N210-A418 PolarHBondContact ND2-O 3.5Å; N210-C419 WeakPolarHBondContact OD1-CA 3.26Å; N210-N420 PolarHBondContact O-ND2 3.21Å; N210-N420 PolarHBondContact OD1-N 3.19Å; N210-N420 PolarHBondContact OD1-ND2 2.93Å |
| 211 | D | 97.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.043 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 179.8 | -76.1 | -10.5 | 0 | 0 | 0 | 111.9 | Y207 F209 T248 L318 F319 | Y207-D211 WeakPolarHBondContact O-CB 3.28Å; Y207-D211 VanDerWaalsContact O-CG 3.3Å; Y207-D211 PolarHBondContact O-N 3.25Å; F209-D211 PolarHBondContact O-N 2.97Å; D211-T248 HydrophobicContact CB-CG2 4.01Å; D211-L318 WeakPolarHBondContact OD1-CA 3.3Å; D211-F319 HydrophobicContact CB-CD1 3.89Å; D211-F319 HydrophobicContact CB-CE1 3.78Å; D211-F319 VanDerWaalsContact CG-N 3.28Å; D211-F319 VanDerWaalsContact O-CE1 3.27Å; D211-F319 WeakPolarHBondContact O-CE1 3.24Å; D211-F319 WeakPolarHBondContact O-CZ 3.27Å; D211-F319 PolarHBondContact OD1-N 3.21Å; D211-F319 VanDerWaalsContact OD2-CA 3.27Å; D211-F319 WeakPolarHBondContact OD2-CA 3.5Å; D211-F319 PolarHBondContact OD2-N 2.94Å; D211-F319 VanDerWaalsContact OD2-N 3.17Å |
| 212 | N | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.1 | -41.2 | -177.8 | -76.1 | -63.4 | 0 | 0 | 0 | 112.3 | R208 F209 L214 L215 Y216 M246 F247 T248 W426 | R208-N212 WeakPolarHBondContact O-CB 3.43Å; R208-N212 PolarHBondContact O-N 3.39Å; R208-N212 PolarHBondContact O-ND2 3.45Å; F209-N212 PolarHBondContact O-N 3.19Å; N212-L214 VanDerWaalsContact C-N 3.26Å; N212-L214 PolarHBondContact O-N 3.43Å; N212-L215 WeakPolarHBondContact O-CB 3.42Å; N212-L215 PolarHBondContact O-N 3.49Å; N212-L215 VanDerWaalsContact O-N 3.12Å; N212-Y216 WeakPolarHBondContact O-CD2 3.36Å; N212-Y216 PolarHBondContact O-N 2.94Å; N212-M246 HydrophobicContact CB-SD 4.04Å; N212-M246 VanDerWaalsContact OD1-C 3.26Å; N212-F247 WeakPolarHBondContact OD1-CA 3.37Å; N212-F247 WeakPolarHBondContact OD1-CB 3.28Å; N212-F247 PolarHBondContact OD1-N 2.95Å; N212-T248 PolarHBondContact ND2-OG1 3.33Å; N212-T248 PolarHBondContact OD1-N 2.92Å; N212-T248 PolarHBondContact OD1-OG1 3.34Å; N212-W426 HydrophobicContact CB-CZ3 4.06Å |
| 213 | S | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.2 | -30.8 | 179.8 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | F209 N210 L215 Y216 F217 N420 G423 | F209-S213 VanDerWaalsContact O-CB 3.22Å; F209-S213 WeakPolarHBondContact O-CB 3.45Å; F209-S213 PolarHBondContact O-N 2.81Å; F209-S213 PolarHBondContact O-OG 2.78Å; N210-S213 PolarHBondContact O-OG 2.85Å; S213-L215 VanDerWaalsContact C-N 3.29Å; S213-L215 PolarHBondContact O-N 2.85Å; S213-Y216 WeakPolarHBondContact O-CB 3.44Å; S213-Y216 PolarHBondContact O-N 3.13Å; S213-F217 WeakPolarHBondContact O-CB 3.48Å; S213-F217 PolarHBondContact O-N 3.23Å; S213-N420 WeakPolarHBondContact CB-OD1 3.43Å; S213-N420 PolarHBondContact OG-ND2 2.57Å; S213-N420 PolarHBondContact OG-OD1 3.01Å; S213-G423 WeakPolarHBondContact OG-CA 3.24Å; S213-G423 PolarHBondContact OG-N 2.87Å; S213-G423 VanDerWaalsContact OG-N 3.13Å |
| 214 | L | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -38.2 | 172.2 | 178.9 | 57.1 | 0 | 0 | 0 | 111.9 | N210 N212 Y216 F217 I218 Y263 L318 F319 M417 N420 | N210-L214 WeakPolarHBondContact O-CB 3.34Å; N210-L214 PolarHBondContact O-N 3.18Å; N210-L214 VanDerWaalsContact O-N 3.12Å; N212-L214 VanDerWaalsContact C-N 3.26Å; N212-L214 PolarHBondContact O-N 3.43Å; L214-Y216 VanDerWaalsContact C-N 3.31Å; L214-Y216 PolarHBondContact O-N 2.79Å; L214-F217 HydrophobicContact CD1-CB 4.41Å; L214-F217 WeakPolarHBondContact O-CA 3.31Å; L214-F217 WeakPolarHBondContact O-CB 3.39Å; L214-F217 PolarHBondContact O-N 3.41Å; L214-F217 VanDerWaalsContact O-N 3.1Å; L214-I218 HydrophobicContact CD1-CG2 3.89Å; L214-I218 HydrophobicContact CG-CG2 4.34Å; L214-I218 WeakPolarHBondContact O-CG2 3.33Å; L214-I218 PolarHBondContact O-N 3.2Å; L214-Y263 HydrophobicContact CD2-CD2 4.15Å; L214-Y263 HydrophobicContact CD2-CE2 4.15Å; L214-L318 HydrophobicContact CD2-CD1 3.86Å; L214-L318 HydrophobicContact CD2-CD2 3.96Å; L214-F319 HydrophobicContact CD2-CE2 3.88Å; L214-F319 HydrophobicContact CD2-CZ 4.17Å; L214-M417 HydrophobicContact CD1-CB 3.87Å; L214-M417 HydrophobicContact CD1-CG 4.36Å; L214-M417 WeakPolarHBondContact CD1-O 3.28Å; L214-N420 PolarHBondContact N-ND2 3.19Å |
| 215 | L | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.2 | -34 | 177.8 | -64.5 | 171.2 | 0 | 0 | 0 | 112.5 | N212 S213 I218 L232 F247 V259 F319 | N212-L215 WeakPolarHBondContact O-CB 3.42Å; N212-L215 PolarHBondContact O-N 3.49Å; N212-L215 VanDerWaalsContact O-N 3.12Å; S213-L215 VanDerWaalsContact C-N 3.29Å; S213-L215 PolarHBondContact O-N 2.85Å; L215-I218 HydrophobicContact CD2-CD1 4.06Å; L215-I218 WeakPolarHBondContact O-CG1 3.3Å; L215-L232 HydrophobicContact CB-CD2 4.07Å; L215-L232 HydrophobicContact CD1-CD1 4.34Å; L215-L232 HydrophobicContact CD1-CD2 4.36Å; L215-F247 HydrophobicContact CB-CD2 3.95Å; L215-F247 HydrophobicContact CB-CE2 4.07Å; L215-F247 HydrophobicContact CD1-CB 3.79Å; L215-F247 HydrophobicContact CD1-CD2 3.56Å; L215-F247 HydrophobicContact CD1-CE2 4.46Å; L215-F247 HydrophobicContact CD1-CG 4Å; L215-F247 HydrophobicContact CG-CD2 4.41Å; L215-V259 HydrophobicContact CD1-CG1 4.19Å; L215-V259 HydrophobicContact CD1-CG2 4.04Å; L215-V259 HydrophobicContact CD2-CG1 4.45Å; L215-F319 HydrophobicContact CD1-CE1 4.14Å; L215-F319 HydrophobicContact CD2-CE1 4.31Å; L215-F319 HydrophobicContact CD2-CZ 3.96Å; L215-F319 HydrophobicContact CG-CE1 4.13Å; L215-F319 HydrophobicContact CG-CZ 4.02Å |
| 216 | Y | 96.7 | Very high | 96.7 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 168.1 | -77.2 | -95.4 | 0 | 0 | 0 | 110.7 | N212 S213 L214 I218 N219 Y220 W229 C245 F247 W426 | N212-Y216 WeakPolarHBondContact O-CD2 3.36Å; N212-Y216 PolarHBondContact O-N 2.94Å; S213-Y216 WeakPolarHBondContact O-CB 3.44Å; S213-Y216 PolarHBondContact O-N 3.13Å; L214-Y216 VanDerWaalsContact C-N 3.31Å; L214-Y216 PolarHBondContact O-N 2.79Å; Y216-I218 PolarHBondContact O-N 3Å; Y216-N219 WeakPolarHBondContact O-CB 3.32Å; Y216-N219 PolarHBondContact O-N 3.25Å; Y216-Y220 HydrophobicContact CD1-CD2 4.41Å; Y216-Y220 AromaticContact CD1-CE2 3.86Å; Y216-Y220 HydrophobicContact CD1-CE2 3.86Å; Y216-Y220 VanDerWaalsContact O-CD2 3.23Å; Y216-Y220 WeakPolarHBondContact O-CD2 3.42Å; Y216-Y220 PolarHBondContact O-N 2.95Å; Y216-W229 AromaticContact CD1-CH2 3.73Å; Y216-W229 HydrophobicContact CD1-CH2 3.73Å; Y216-W229 HydrophobicContact CD1-CZ2 4.37Å; Y216-W229 AromaticContact CE1-CH2 3.68Å; Y216-W229 HydrophobicContact CE1-CH2 3.68Å; Y216-W229 HydrophobicContact CE1-CZ2 4.1Å; Y216-W229 HydrophobicContact CG-CH2 4.17Å; Y216-C245 WeakPolarHBondContact OH-CB 3.47Å; Y216-C245 PolarHBondContact OH-N 3.33Å; Y216-F247 AromaticContact CD2-CE2 3.75Å; Y216-F247 HydrophobicContact CD2-CE2 3.75Å; Y216-F247 HydrophobicContact CD2-CZ 4.5Å; Y216-F247 HydrophobicContact CE2-CD2 4.22Å; Y216-F247 AromaticContact CE2-CE2 3.27Å; Y216-F247 HydrophobicContact CE2-CE2 3.27Å; Y216-F247 AromaticContact CE2-CZ 3.76Å; Y216-F247 HydrophobicContact CE2-CZ 3.76Å; Y216-F247 AromaticContact CZ-CE2 3.92Å; Y216-F247 AromaticContact CZ-CZ 3.91Å; Y216-W426 AromaticContact CD2-CH2 3.71Å; Y216-W426 HydrophobicContact CD2-CH2 3.71Å; Y216-W426 HydrophobicContact CD2-CZ2 4.34Å; Y216-W426 AromaticContact CE2-CH2 3.88Å; Y216-W426 HydrophobicContact CE2-CH2 3.88Å; Y216-W426 HydrophobicContact CG-CH2 4.44Å |
| 217 | F | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.4 | -52.9 | -178.9 | -168.8 | -73.9 | 0 | 0 | 0 | 111.4 | S213 L214 N219 Y220 H221 L275 M417 N420 Y421 F422 | S213-F217 WeakPolarHBondContact O-CB 3.48Å; S213-F217 PolarHBondContact O-N 3.23Å; L214-F217 HydrophobicContact CD1-CB 4.41Å; L214-F217 WeakPolarHBondContact O-CA 3.31Å; L214-F217 WeakPolarHBondContact O-CB 3.39Å; L214-F217 PolarHBondContact O-N 3.41Å; L214-F217 VanDerWaalsContact O-N 3.1Å; F217-N219 PolarHBondContact O-N 3.39Å; F217-Y220 PolarHBondContact O-N 3.34Å; F217-H221 HydrophobicContact CD1-CB 4.38Å; F217-H221 AromaticContact CD1-CE1 3.88Å; F217-H221 AromaticContact CD1-CG 3.89Å; F217-H221 AromaticContact CD1-ND1 3.46Å; F217-H221 WeakPolarHBondContact CD1-ND1 3.32Å; F217-H221 AromaticContact CD2-CE1 3.64Å; F217-H221 AromaticContact CD2-ND1 3.98Å; F217-H221 HydrophobicContact CE1-CB 4.22Å; F217-H221 AromaticContact CE1-CD2 3.83Å; F217-H221 AromaticContact CE1-CE1 3.68Å; F217-H221 AromaticContact CE1-CG 3.6Å; F217-H221 AromaticContact CE1-ND1 3.51Å; F217-H221 AromaticContact CE1-NE2 3.91Å; F217-H221 AromaticContact CE2-CE1 3.44Å; F217-H221 VanDerWaalsContact CE2-CE1 3.44Å; F217-H221 WeakPolarHBondContact CE2-CE1 3.43Å; F217-H221 AromaticContact CE2-NE2 3.81Å; F217-H221 AromaticContact CG-CE1 3.85Å; F217-H221 AromaticContact CG-ND1 3.69Å; F217-H221 AromaticContact CZ-CD2 3.84Å; F217-H221 AromaticContact CZ-CE1 3.45Å; F217-H221 VanDerWaalsContact CZ-CE1 3.45Å; F217-H221 WeakPolarHBondContact CZ-CE1 3.3Å; F217-H221 AromaticContact CZ-ND1 3.8Å; F217-H221 AromaticContact CZ-NE2 3.51Å; F217-H221 WeakPolarHBondContact O-CB 3.28Å; F217-H221 PolarHBondContact O-N 3.13Å; F217-H221 PolarHBondContact O-ND1 2.61Å; F217-L275 HydrophobicContact CE1-CD2 4.01Å; F217-M417 HydrophobicContact CD1-CG 3.83Å; F217-M417 HydrophobicContact CD1-SD 4.17Å; F217-M417 HydrophobicContact CE1-CG 3.48Å; F217-M417 VanDerWaalsContact CE1-CG 3.48Å; F217-M417 HydrophobicContact CE1-SD 3.95Å; F217-M417 HydrophobicContact CZ-CG 4.15Å; F217-N420 HydrophobicContact CD2-CB 3.94Å; F217-N420 HydrophobicContact CE2-CB 4.38Å; F217-Y421 HydrophobicContact CD2-CE1 4.37Å; F217-Y421 HydrophobicContact CE2-CD1 4.21Å; F217-Y421 HydrophobicContact CE2-CE1 4.12Å; F217-F422 HydrophobicContact CB-CD2 4.46Å; F217-F422 HydrophobicContact CD2-CD2 4.06Å; F217-F422 HydrophobicContact CD2-CE2 4.4Å |
| 218 | I | 95.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -34.7 | -179.2 | 66.8 | 178.1 | 0 | 0 | 0 | 112.1 | L214 L215 Y216 G222 L223 I224 L262 A266 M267 | L214-I218 HydrophobicContact CD1-CG2 3.89Å; L214-I218 HydrophobicContact CG-CG2 4.34Å; L214-I218 WeakPolarHBondContact O-CG2 3.33Å; L214-I218 PolarHBondContact O-N 3.2Å; L215-I218 HydrophobicContact CD2-CD1 4.06Å; L215-I218 WeakPolarHBondContact O-CG1 3.3Å; Y216-I218 PolarHBondContact O-N 3Å; I218-G222 PolarHBondContact O-N 3.03Å; I218-L223 HydrophobicContact CB-CB 4.13Å; I218-L223 HydrophobicContact CB-CD1 4.08Å; I218-L223 HydrophobicContact CB-CG 4.49Å; I218-L223 HydrophobicContact CG2-CD1 4.03Å; I218-L223 WeakPolarHBondContact O-CA 3.46Å; I218-L223 VanDerWaalsContact O-CB 3.28Å; I218-L223 WeakPolarHBondContact O-CB 3.34Å; I218-L223 PolarHBondContact O-N 2.73Å; I218-I224 HydrophobicContact CD1-CG2 4.1Å; I218-I224 HydrophobicContact CG1-CD1 4.44Å; I218-I224 HydrophobicContact CG1-CG2 4.39Å; I218-L262 HydrophobicContact CD1-CB 4.26Å; I218-A266 HydrophobicContact CB-CB 4.24Å; I218-A266 HydrophobicContact CD1-CB 4.08Å; I218-A266 HydrophobicContact CG2-CB 4.3Å; I218-M267 HydrophobicContact CG2-SD 4.34Å |
| 219 | N | 96 | Very high | 96.5 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.3 | -54.9 | 176 | -178.2 | 62.6 | 0 | 0 | 0 | 111.6 | Y216 F217 H221 G222 I224 W229 | Y216-N219 WeakPolarHBondContact O-CB 3.32Å; Y216-N219 PolarHBondContact O-N 3.25Å; F217-N219 PolarHBondContact O-N 3.39Å; N219-H221 PolarHBondContact O-N 2.96Å; N219-G222 PolarHBondContact O-N 3.39Å; N219-I224 HydrophobicContact CB-CD1 3.94Å; N219-I224 HydrophobicContact CB-CG1 4.02Å; N219-W229 HydrophobicContact CB-CD2 4.18Å; N219-W229 HydrophobicContact CB-CE3 3.66Å; N219-W229 HydrophobicContact CB-CZ3 3.9Å; N219-W229 WeakPolarHBondContact OD1-CB 3.37Å |
| 220 | Y | 96.2 | Very high | 96.3 | Very high | 152 Ų | 152 | 43 Ų | 43 | 60% | 0.596 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -76 | -7.8 | -174.7 | -71 | -73 | 0 | 0 | 0 | 114 | Y216 F217 W229 | Y216-Y220 HydrophobicContact CD1-CD2 4.41Å; Y216-Y220 AromaticContact CD1-CE2 3.86Å; Y216-Y220 HydrophobicContact CD1-CE2 3.86Å; Y216-Y220 VanDerWaalsContact O-CD2 3.23Å; Y216-Y220 WeakPolarHBondContact O-CD2 3.42Å; Y216-Y220 PolarHBondContact O-N 2.95Å; F217-Y220 PolarHBondContact O-N 3.34Å; Y220-W229 HydrophobicContact CE2-CZ2 4.48Å |
| 221 | H | 96.8 | Very high | 96.2 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 11.2 | 169.3 | -66.3 | 76.1 | 0 | 0 | 0 | 113.2 | F217 N219 L275 Y276 | F217-H221 HydrophobicContact CD1-CB 4.38Å; F217-H221 AromaticContact CD1-CE1 3.88Å; F217-H221 AromaticContact CD1-CG 3.89Å; F217-H221 AromaticContact CD1-ND1 3.46Å; F217-H221 WeakPolarHBondContact CD1-ND1 3.32Å; F217-H221 AromaticContact CD2-CE1 3.64Å; F217-H221 AromaticContact CD2-ND1 3.98Å; F217-H221 HydrophobicContact CE1-CB 4.22Å; F217-H221 AromaticContact CE1-CD2 3.83Å; F217-H221 AromaticContact CE1-CE1 3.68Å; F217-H221 AromaticContact CE1-CG 3.6Å; F217-H221 AromaticContact CE1-ND1 3.51Å; F217-H221 AromaticContact CE1-NE2 3.91Å; F217-H221 AromaticContact CE2-CE1 3.44Å; F217-H221 VanDerWaalsContact CE2-CE1 3.44Å; F217-H221 WeakPolarHBondContact CE2-CE1 3.43Å; F217-H221 AromaticContact CE2-NE2 3.81Å; F217-H221 AromaticContact CG-CE1 3.85Å; F217-H221 AromaticContact CG-ND1 3.69Å; F217-H221 AromaticContact CZ-CD2 3.84Å; F217-H221 AromaticContact CZ-CE1 3.45Å; F217-H221 VanDerWaalsContact CZ-CE1 3.45Å; F217-H221 WeakPolarHBondContact CZ-CE1 3.3Å; F217-H221 AromaticContact CZ-ND1 3.8Å; F217-H221 AromaticContact CZ-NE2 3.51Å; F217-H221 WeakPolarHBondContact O-CB 3.28Å; F217-H221 PolarHBondContact O-N 3.13Å; F217-H221 PolarHBondContact O-ND1 2.61Å; N219-H221 PolarHBondContact O-N 2.96Å; H221-L275 HydrophobicContact CB-CD2 3.7Å; H221-Y276 PolarHBondContact CD2-OH 3.44Å |
| 222 | G | 96.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 68% | 0.68 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 25.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I218 N219 | I218-G222 PolarHBondContact O-N 3.03Å; N219-G222 PolarHBondContact O-N 3.39Å |
| 223 | L | 96.1 | Very high | 96 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -93.6 | -11 | -177.5 | -50.1 | -176.1 | 0 | 0 | 0 | 113.8 | I218 A266 L270 L275 M417 | I218-L223 HydrophobicContact CB-CB 4.13Å; I218-L223 HydrophobicContact CB-CD1 4.08Å; I218-L223 HydrophobicContact CB-CG 4.49Å; I218-L223 HydrophobicContact CG2-CD1 4.03Å; I218-L223 WeakPolarHBondContact O-CA 3.46Å; I218-L223 VanDerWaalsContact O-CB 3.28Å; I218-L223 WeakPolarHBondContact O-CB 3.34Å; I218-L223 PolarHBondContact O-N 2.73Å; L223-A266 HydrophobicContact CB-CB 3.95Å; L223-L270 HydrophobicContact CD1-CD1 3.89Å; L223-L270 HydrophobicContact CD2-CD1 3.82Å; L223-L270 HydrophobicContact CG-CD1 4.46Å; L223-L275 HydrophobicContact CD1-CD1 4.01Å; L223-L275 HydrophobicContact CD2-CD1 4.1Å; L223-M417 HydrophobicContact CD1-SD 3.89Å |
| 224 | I | 95.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 51 Ų | 51 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -133.6 | 156.3 | 175.2 | 63.8 | 167.9 | 0 | 0 | 0 | 110.6 | I218 N219 W229 L262 A266 | I218-I224 HydrophobicContact CD1-CG2 4.1Å; I218-I224 HydrophobicContact CG1-CD1 4.44Å; I218-I224 HydrophobicContact CG1-CG2 4.39Å; N219-I224 HydrophobicContact CB-CD1 3.94Å; N219-I224 HydrophobicContact CB-CG1 4.02Å; I224-W229 HydrophobicContact CD1-CB 4.27Å; I224-W229 HydrophobicContact CD1-CE3 4.2Å; I224-L262 HydrophobicContact CD1-CD1 4.38Å; I224-L262 HydrophobicContact CG2-CD2 4.14Å; I224-A266 HydrophobicContact CG2-CB 4.04Å |
| 225 | D | 95 | Very high | 95.7 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | trans | -85.3 | 166.4 | 177.7 | 67.4 | 13.4 | 0 | 0 | 0 | 112.8 | I227 S228 W229 | D225-I227 PolarHBondContact O-N 2.89Å; D225-I227 PolarHBondContact OD1-N 3.47Å; D225-S228 WeakPolarHBondContact O-CB 3.47Å; D225-S228 PolarHBondContact O-N 3.35Å; D225-S228 WeakPolarHBondContact OD1-CB 3.47Å; D225-S228 PolarHBondContact OD1-N 2.7Å; D225-S228 PolarHBondContact OD1-OG 3.22Å; D225-W229 PolarHBondContact O-N 3.09Å | ||
| 226 | E | 95.6 | Very high | 95.6 | Very high | 149 Ų | 149 | 54.3 Ų | 54.3 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.5 | -33.4 | -179.6 | -173.6 | -176 | 174 | 0 | 0 | 112.4 | W229 N230 | E226-W229 PolarHBondContact O-N 3.04Å; E226-N230 WeakPolarHBondContact O-CB 3.38Å; E226-N230 VanDerWaalsContact O-CG 3.25Å; E226-N230 PolarHBondContact O-N 2.93Å; E226-N230 PolarHBondContact O-ND2 3.19Å |
| 227 | I | 96.3 | Very high | 95.5 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.2 | -49.4 | 178.8 | -62.7 | 173.2 | 0 | 0 | 0 | 109.7 | D225 W229 N230 D231 | D225-I227 PolarHBondContact O-N 2.89Å; D225-I227 PolarHBondContact OD1-N 3.47Å; I227-W229 VanDerWaalsContact C-N 3.33Å; I227-W229 PolarHBondContact O-N 2.99Å; I227-N230 PolarHBondContact O-N 2.96Å; I227-D231 WeakPolarHBondContact O-CB 3.5Å; I227-D231 PolarHBondContact O-N 2.58Å |
| 228 | S | 95.9 | Very high | 95 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.2 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | D225 D231 L232 | D225-S228 WeakPolarHBondContact O-CB 3.47Å; D225-S228 PolarHBondContact O-N 3.35Å; D225-S228 WeakPolarHBondContact OD1-CB 3.47Å; D225-S228 PolarHBondContact OD1-N 2.7Å; D225-S228 PolarHBondContact OD1-OG 3.22Å; S228-D231 PolarHBondContact O-N 2.85Å; S228-L232 PolarHBondContact O-N 2.8Å |
| 229 | W | 95.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 13% | 0.125 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 175.9 | 178.9 | -114.4 | 0 | 0 | 0 | 112.4 | Y216 N219 Y220 I224 D225 E226 I227 D231 L232 I233 F247 | Y216-W229 AromaticContact CD1-CH2 3.73Å; Y216-W229 HydrophobicContact CD1-CH2 3.73Å; Y216-W229 HydrophobicContact CD1-CZ2 4.37Å; Y216-W229 AromaticContact CE1-CH2 3.68Å; Y216-W229 HydrophobicContact CE1-CH2 3.68Å; Y216-W229 HydrophobicContact CE1-CZ2 4.1Å; Y216-W229 HydrophobicContact CG-CH2 4.17Å; N219-W229 HydrophobicContact CB-CD2 4.18Å; N219-W229 HydrophobicContact CB-CE3 3.66Å; N219-W229 HydrophobicContact CB-CZ3 3.9Å; N219-W229 WeakPolarHBondContact OD1-CB 3.37Å; Y220-W229 HydrophobicContact CE2-CZ2 4.48Å; I224-W229 HydrophobicContact CD1-CB 4.27Å; I224-W229 HydrophobicContact CD1-CE3 4.2Å; D225-W229 PolarHBondContact O-N 3.09Å; E226-W229 PolarHBondContact O-N 3.04Å; I227-W229 VanDerWaalsContact C-N 3.33Å; I227-W229 PolarHBondContact O-N 2.99Å; W229-D231 VanDerWaalsContact C-N 3.31Å; W229-D231 PolarHBondContact O-N 2.88Å; W229-L232 HydrophobicContact CE3-CD2 3.98Å; W229-L232 HydrophobicContact CZ3-CD2 3.8Å; W229-L232 WeakPolarHBondContact O-CB 3.45Å; W229-L232 PolarHBondContact O-N 3.28Å; W229-I233 HydrophobicContact CD2-CG1 4.24Å; W229-I233 HydrophobicContact CH2-CD1 4.15Å; W229-I233 HydrophobicContact CZ2-CD1 3.73Å; W229-I233 HydrophobicContact CZ2-CG1 4.02Å; W229-I233 WeakPolarHBondContact O-CG1 3.42Å; W229-I233 PolarHBondContact O-N 2.92Å; W229-F247 HydrophobicContact CH2-CE2 4.33Å; W229-F247 AromaticContact CH2-CZ 3.88Å; W229-F247 HydrophobicContact CH2-CZ 3.88Å; W229-F247 HydrophobicContact CZ3-CE2 4.35Å; W229-F247 HydrophobicContact CZ3-CZ 4.09Å |
| 230 | N | 94.7 | Very high | 93.8 | Very high | 68 Ų | 68 | 70.5 Ų | 70.5 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 177.8 | -76.1 | -30.8 | 0 | 0 | 0 | 112.1 | E226 I227 N234 | E226-N230 WeakPolarHBondContact O-CB 3.38Å; E226-N230 VanDerWaalsContact O-CG 3.25Å; E226-N230 PolarHBondContact O-N 2.93Å; E226-N230 PolarHBondContact O-ND2 3.19Å; I227-N230 PolarHBondContact O-N 2.96Å; N230-N234 VanDerWaalsContact O-CB 3.26Å; N230-N234 WeakPolarHBondContact O-CB 3.28Å; N230-N234 PolarHBondContact O-N 3.05Å; N230-N234 PolarHBondContact O-ND2 3.33Å |
| 231 | D | 94.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 68.8 Ų | 68.8 | 32% | 0.316 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 174.9 | -105.8 | 26.6 | 0 | 0 | 0 | 111.4 | I227 S228 W229 N234 K235 I258 | I227-D231 WeakPolarHBondContact O-CB 3.5Å; I227-D231 PolarHBondContact O-N 2.58Å; S228-D231 PolarHBondContact O-N 2.85Å; W229-D231 VanDerWaalsContact C-N 3.31Å; W229-D231 PolarHBondContact O-N 2.88Å; D231-N234 PolarHBondContact O-N 3.47Å; D231-K235 VanDerWaalsContact O-CB 3.27Å; D231-K235 WeakPolarHBondContact O-CB 3.06Å; D231-K235 WeakPolarHBondContact O-CG 3.31Å; D231-K235 PolarHBondContact O-N 3.13Å; D231-K235 IonicContact OD1-NZ 3.08Å; D231-K235 IonicContact OD2-NZ 2.76Å; D231-K235 PolarHBondContact OD2-NZ 2.84Å; D231-I258 HydrophobicContact CB-CD1 4.48Å |
| 232 | L | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.3 | -53.5 | 174.4 | -179.1 | 70.3 | 0 | 0 | 0 | 110.8 | L215 S228 W229 N234 K235 C236 F247 I258 V259 L262 | L215-L232 HydrophobicContact CB-CD2 4.07Å; L215-L232 HydrophobicContact CD1-CD1 4.34Å; L215-L232 HydrophobicContact CD1-CD2 4.36Å; S228-L232 PolarHBondContact O-N 2.8Å; W229-L232 HydrophobicContact CE3-CD2 3.98Å; W229-L232 HydrophobicContact CZ3-CD2 3.8Å; W229-L232 WeakPolarHBondContact O-CB 3.45Å; W229-L232 PolarHBondContact O-N 3.28Å; L232-N234 PolarHBondContact O-N 2.77Å; L232-K235 PolarHBondContact O-N 3.42Å; L232-C236 HydrophobicContact CD1-CB 4.09Å; L232-C236 WeakPolarHBondContact O-CA 3.35Å; L232-C236 WeakPolarHBondContact O-CB 3.27Å; L232-C236 PolarHBondContact O-N 3.48Å; L232-F247 HydrophobicContact CD1-CB 4.26Å; L232-F247 HydrophobicContact CD1-CD1 4.09Å; L232-F247 HydrophobicContact CD1-CG 4.1Å; L232-F247 HydrophobicContact CD2-CD1 4.2Å; L232-F247 HydrophobicContact CD2-CD2 4.04Å; L232-F247 HydrophobicContact CD2-CE1 3.99Å; L232-F247 HydrophobicContact CD2-CE2 3.81Å; L232-F247 HydrophobicContact CD2-CG 4.21Å; L232-F247 HydrophobicContact CD2-CZ 3.78Å; L232-F247 HydrophobicContact CG-CD1 3.8Å; L232-F247 HydrophobicContact CG-CD2 4.46Å; L232-F247 HydrophobicContact CG-CE1 3.8Å; L232-F247 HydrophobicContact CG-CE2 4.45Å; L232-F247 HydrophobicContact CG-CG 4.12Å; L232-F247 HydrophobicContact CG-CZ 4.13Å; L232-I258 HydrophobicContact CB-CG2 4.25Å; L232-I258 HydrophobicContact CD1-CG2 4.06Å; L232-V259 HydrophobicContact CD1-CG2 3.81Å; L232-L262 HydrophobicContact CB-CD1 3.97Å; L232-L262 HydrophobicContact CD1-CD1 4.11Å; L232-L262 HydrophobicContact CD2-CD1 4.08Å; L232-L262 HydrophobicContact CG-CD1 4.28Å |
| 233 | I | 94.5 | Very high | 91.9 | Very high | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.195 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | -179.5 | -67.4 | -76.8 | 0 | 0 | 0 | 111 | W229 K235 C237 F247 | W229-I233 HydrophobicContact CD2-CG1 4.24Å; W229-I233 HydrophobicContact CH2-CD1 4.15Å; W229-I233 HydrophobicContact CZ2-CD1 3.73Å; W229-I233 HydrophobicContact CZ2-CG1 4.02Å; W229-I233 WeakPolarHBondContact O-CG1 3.42Å; W229-I233 PolarHBondContact O-N 2.92Å; I233-K235 VanDerWaalsContact C-N 3.34Å; I233-K235 PolarHBondContact O-N 3.1Å; I233-C237 WeakPolarHBondContact O-CB 3.34Å; I233-C237 PolarHBondContact O-N 2.86Å; I233-C237 VanDerWaalsContact O-N 3.12Å; I233-F247 HydrophobicContact CD1-CE1 3.79Å; I233-F247 HydrophobicContact CD1-CZ 3.84Å; I233-F247 HydrophobicContact CG1-CE1 4.5Å |
| 234 | N | 94.1 | Very high | 91.5 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.7 | -30.7 | -173.6 | -79.2 | -49.8 | 0 | 0 | 0 | 114.2 | N230 D231 L232 K240 | N230-N234 VanDerWaalsContact O-CB 3.26Å; N230-N234 WeakPolarHBondContact O-CB 3.28Å; N230-N234 PolarHBondContact O-N 3.05Å; N230-N234 PolarHBondContact O-ND2 3.33Å; D231-N234 PolarHBondContact O-N 3.47Å; L232-N234 PolarHBondContact O-N 2.77Å; N234-K240 PolarHBondContact OD1-NZ 3.48Å |
| 235 | K | 94.6 | Very high | 91.5 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -105.3 | -20.4 | -171.9 | -62.4 | 167.5 | 176.6 | -176 | 0 | 113.4 | D231 L232 I233 E254 I258 | D231-K235 VanDerWaalsContact O-CB 3.27Å; D231-K235 WeakPolarHBondContact O-CB 3.06Å; D231-K235 WeakPolarHBondContact O-CG 3.31Å; D231-K235 PolarHBondContact O-N 3.13Å; D231-K235 IonicContact OD1-NZ 3.08Å; D231-K235 IonicContact OD2-NZ 2.76Å; D231-K235 PolarHBondContact OD2-NZ 2.84Å; L232-K235 PolarHBondContact O-N 3.42Å; I233-K235 VanDerWaalsContact C-N 3.34Å; I233-K235 PolarHBondContact O-N 3.1Å; K235-E254 HydrophobicContact CD-CG 4.12Å; K235-E254 VanDerWaalsContact CD-OE1 3.27Å; K235-E254 WeakPolarHBondContact CD-OE1 3.31Å; K235-E254 WeakPolarHBondContact CE-OE1 3.24Å; K235-E254 IonicContact NZ-OE1 2.65Å; K235-E254 PolarHBondContact NZ-OE1 3.43Å; K235-I258 HydrophobicContact CB-CD1 3.98Å; K235-I258 HydrophobicContact CD-CD1 3.23Å; K235-I258 HydrophobicContact CG-CD1 4.23Å |
| 236 | C | 95.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -111.4 | -30.4 | -178.1 | -64.8 | 0 | 0 | 0 | 0 | 114.4 | L232 K238 F247 C255 | L232-C236 HydrophobicContact CD1-CB 4.09Å; L232-C236 WeakPolarHBondContact O-CA 3.35Å; L232-C236 WeakPolarHBondContact O-CB 3.27Å; L232-C236 PolarHBondContact O-N 3.48Å; C236-K238 PolarHBondContact O-N 3.35Å; C236-F247 HydrophobicContact CB-CB 3.98Å; C236-F247 HydrophobicContact CB-CD1 3.75Å; C236-F247 HydrophobicContact CB-CG 4.34Å; C236-C255 WeakPolarHBondContact CA-SG 3.42Å; C236-C255 HydrophobicContact CB-CB 4Å; C236-C255 WeakPolarHBondContact CB-SG 3.35Å; C236-C255 WeakPolarHBondContact SG-CA 3.33Å; C236-C255 WeakPolarHBondContact SG-CB 3.38Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 2.95Å |
| 237 | C | 94.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | trans | -80.9 | 113.1 | -176.7 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | I233 D239 C245 F247 | I233-C237 WeakPolarHBondContact O-CB 3.34Å; I233-C237 PolarHBondContact O-N 2.86Å; I233-C237 VanDerWaalsContact O-N 3.12Å; C237-D239 PolarHBondContact SG-O 2.73Å; C237-C245 HydrophobicContact CB-CB 3.7Å; C237-C245 WeakPolarHBondContact CB-SG 3.36Å; C237-C245 WeakPolarHBondContact SG-CB 3.5Å; C237-C245 CovalentContact SG-SG 2.03Å; C237-C245 PolarHBondContact SG-SG 2.97Å; C237-F247 HydrophobicContact CB-CE1 4.36Å | ||
| 238 | K | 87.1 | Confident | 91.3 | Very high | 161 Ų | 161 | 58.3 Ų | 58.3 | 70% | 0.7 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -64.5 | -43.3 | 179.2 | -68.9 | -177.7 | -176.2 | 169.4 | 0 | 112.1 | C236 D249 | C236-K238 PolarHBondContact O-N 3.35Å; K238-D249 VanDerWaalsContact CE-O 3.29Å; K238-D249 WeakPolarHBondContact CE-O 3.19Å; K238-D249 PolarHBondContact NZ-O 3.3Å |
| 239 | D | 86.5 | Confident | 91.1 | Very high | 91 Ų | 91 | 59.3 Ų | 59.3 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | trans | -111.1 | 100.3 | 178.3 | -178 | 6 | 0 | 0 | 0 | 110.4 | C237 C241 S242 | C237-D239 PolarHBondContact SG-O 2.73Å; D239-C241 PolarHBondContact O-N 3.31Å; D239-C241 WeakPolarHBondContact OD1-CB 3.46Å; D239-C241 PolarHBondContact OD1-N 3.33Å; D239-S242 WeakPolarHBondContact O-CB 3.17Å; D239-S242 PolarHBondContact O-N 3.38Å | ||
| 240 | K | 80.3 | Confident | 91 | Very high | 131 Ų | 131 | 58.5 Ų | 58.5 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -11.5 | 179.2 | -61.4 | -167.5 | 179.3 | -164.9 | 0 | 113.6 | N234 | N234-K240 PolarHBondContact OD1-NZ 3.48Š|
| 241 | C | 83 | Confident | 90.7 | Very high | 117 Ų | 117 | 63.5 Ų | 63.5 | 79% | 0.791 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.1 | 174.3 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | D239 | D239-C241 PolarHBondContact O-N 3.31Å; D239-C241 WeakPolarHBondContact OD1-CB 3.46Å; D239-C241 PolarHBondContact OD1-N 3.33Å |
| 242 | S | 83.3 | Confident | 90.7 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | trans | -70.1 | 136.8 | 176.1 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | D239 V244 | D239-S242 WeakPolarHBondContact O-CB 3.17Å; D239-S242 PolarHBondContact O-N 3.38Å; S242-V244 WeakPolarHBondContact CB-O 3.22Å; S242-V244 PolarHBondContact O-N 3.31Å; S242-V244 PolarHBondContact OG-N 3.12Å; S242-V244 VanDerWaalsContact OG-N 3.14Å; S242-V244 PolarHBondContact OG-O 3.43Å | ||
| 243 | T | 81.5 | Confident | 90.7 | Very high | 134 Ų | 134 | 68.1 Ų | 68.1 | 82% | 0.822 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -71.4 | -19.2 | 170.1 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 244 | V | 89.6 | Confident | 90.7 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 30% | 0.303 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -130.8 | 116.7 | 179.9 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | S242 M246 W426 | S242-V244 WeakPolarHBondContact CB-O 3.22Å; S242-V244 PolarHBondContact O-N 3.31Å; S242-V244 PolarHBondContact OG-N 3.12Å; S242-V244 VanDerWaalsContact OG-N 3.14Å; S242-V244 PolarHBondContact OG-O 3.43Å; V244-M246 HydrophobicContact CG1-CE 3.81Å; V244-W426 HydrophobicContact CG1-CE3 4.49Å; V244-W426 HydrophobicContact CG1-CH2 3.59Å; V244-W426 HydrophobicContact CG1-CZ2 3.75Å; V244-W426 HydrophobicContact CG1-CZ3 3.99Å |
| 245 | C | 93.7 | Very high | 90.9 | Very high | 6 Ų | 6 | 66.3 Ų | 66.3 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | trans | -98.1 | 127 | 178.7 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | Y216 C237 F247 | Y216-C245 WeakPolarHBondContact OH-CB 3.47Å; Y216-C245 PolarHBondContact OH-N 3.33Å; C237-C245 HydrophobicContact CB-CB 3.7Å; C237-C245 WeakPolarHBondContact CB-SG 3.36Å; C237-C245 WeakPolarHBondContact SG-CB 3.5Å; C237-C245 CovalentContact SG-SG 2.03Å; C237-C245 PolarHBondContact SG-SG 2.97Å; C245-F247 VanDerWaalsContact C-N 3.34Å; C245-F247 HydrophobicContact CB-CD1 3.74Å; C245-F247 HydrophobicContact CB-CE1 3.3Å; C245-F247 HydrophobicContact CB-CE2 4.24Å; C245-F247 HydrophobicContact CB-CG 4.37Å; C245-F247 HydrophobicContact CB-CZ 3.6Å; C245-F247 PolarHBondContact O-N 3.36Å | ||
| 246 | M | 94.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | -94 | 74.5 | 172.4 | -63.5 | -77.1 | 167.5 | 0 | 0 | 107.9 | R208 F209 N212 V244 T248 D249 W426 | R208-M246 HydrophobicContact CG-SD 4.35Å; F209-M246 HydrophobicContact CD1-CE 3.72Å; F209-M246 HydrophobicContact CD1-SD 4.09Å; F209-M246 HydrophobicContact CE1-CE 3.71Å; F209-M246 HydrophobicContact CE1-SD 4.32Å; N212-M246 HydrophobicContact CB-SD 4.04Å; N212-M246 VanDerWaalsContact OD1-C 3.26Å; V244-M246 HydrophobicContact CG1-CE 3.81Å; M246-T248 PolarHBondContact O-N 3.38Å; M246-D249 HydrophobicContact CB-CB 4.49Å; M246-D249 WeakPolarHBondContact CB-OD2 3.11Å; M246-D249 WeakPolarHBondContact O-CB 3.01Å; M246-D249 PolarHBondContact O-N 2.93Å; M246-W426 HydrophobicContact CE-CE3 3.92Å; M246-W426 HydrophobicContact CE-CZ3 3.92Å | ||
| 247 | F | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -51 | -37.4 | -176.1 | -53.8 | -64.4 | 0 | 0 | 0 | 113.6 | N212 L215 Y216 W229 L232 I233 C236 C237 C245 D249 S250 C255 V259 | N212-F247 WeakPolarHBondContact OD1-CA 3.37Å; N212-F247 WeakPolarHBondContact OD1-CB 3.28Å; N212-F247 PolarHBondContact OD1-N 2.95Å; L215-F247 HydrophobicContact CB-CD2 3.95Å; L215-F247 HydrophobicContact CB-CE2 4.07Å; L215-F247 HydrophobicContact CD1-CB 3.79Å; L215-F247 HydrophobicContact CD1-CD2 3.56Å; L215-F247 HydrophobicContact CD1-CE2 4.46Å; L215-F247 HydrophobicContact CD1-CG 4Å; L215-F247 HydrophobicContact CG-CD2 4.41Å; Y216-F247 AromaticContact CD2-CE2 3.75Å; Y216-F247 HydrophobicContact CD2-CE2 3.75Å; Y216-F247 HydrophobicContact CD2-CZ 4.5Å; Y216-F247 HydrophobicContact CE2-CD2 4.22Å; Y216-F247 AromaticContact CE2-CE2 3.27Å; Y216-F247 HydrophobicContact CE2-CE2 3.27Å; Y216-F247 AromaticContact CE2-CZ 3.76Å; Y216-F247 HydrophobicContact CE2-CZ 3.76Å; Y216-F247 AromaticContact CZ-CE2 3.92Å; Y216-F247 AromaticContact CZ-CZ 3.91Å; W229-F247 HydrophobicContact CH2-CE2 4.33Å; W229-F247 AromaticContact CH2-CZ 3.88Å; W229-F247 HydrophobicContact CH2-CZ 3.88Å; W229-F247 HydrophobicContact CZ3-CE2 4.35Å; W229-F247 HydrophobicContact CZ3-CZ 4.09Å; L232-F247 HydrophobicContact CD1-CB 4.26Å; L232-F247 HydrophobicContact CD1-CD1 4.09Å; L232-F247 HydrophobicContact CD1-CG 4.1Å; L232-F247 HydrophobicContact CD2-CD1 4.2Å; L232-F247 HydrophobicContact CD2-CD2 4.04Å; L232-F247 HydrophobicContact CD2-CE1 3.99Å; L232-F247 HydrophobicContact CD2-CE2 3.81Å; L232-F247 HydrophobicContact CD2-CG 4.21Å; L232-F247 HydrophobicContact CD2-CZ 3.78Å; L232-F247 HydrophobicContact CG-CD1 3.8Å; L232-F247 HydrophobicContact CG-CD2 4.46Å; L232-F247 HydrophobicContact CG-CE1 3.8Å; L232-F247 HydrophobicContact CG-CE2 4.45Å; L232-F247 HydrophobicContact CG-CG 4.12Å; L232-F247 HydrophobicContact CG-CZ 4.13Å; I233-F247 HydrophobicContact CD1-CE1 3.79Å; I233-F247 HydrophobicContact CD1-CZ 3.84Å; I233-F247 HydrophobicContact CG1-CE1 4.5Å; C236-F247 HydrophobicContact CB-CB 3.98Å; C236-F247 HydrophobicContact CB-CD1 3.75Å; C236-F247 HydrophobicContact CB-CG 4.34Å; C237-F247 HydrophobicContact CB-CE1 4.36Å; C245-F247 VanDerWaalsContact C-N 3.34Å; C245-F247 HydrophobicContact CB-CD1 3.74Å; C245-F247 HydrophobicContact CB-CE1 3.3Å; C245-F247 HydrophobicContact CB-CE2 4.24Å; C245-F247 HydrophobicContact CB-CG 4.37Å; C245-F247 HydrophobicContact CB-CZ 3.6Å; C245-F247 PolarHBondContact O-N 3.36Å; F247-D249 PolarHBondContact O-N 3.12Å; F247-S250 PolarHBondContact O-N 2.73Å; F247-C255 PolarHBondContact O-SG 3.43Å; F247-V259 HydrophobicContact CB-CG2 4.49Å |
| 248 | T | 93.1 | Very high | 91 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -72.9 | -10.2 | -179.2 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | D211 N212 M246 S250 F319 | D211-T248 HydrophobicContact CB-CG2 4.01Å; N212-T248 PolarHBondContact ND2-OG1 3.33Å; N212-T248 PolarHBondContact OD1-N 2.92Å; N212-T248 PolarHBondContact OD1-OG1 3.34Å; M246-T248 PolarHBondContact O-N 3.38Å; T248-S250 PolarHBondContact O-N 3.17Å; T248-F319 HydrophobicContact CG2-CD1 3.99Å; T248-F319 HydrophobicContact CG2-CE1 4.1Å |
| 249 | D | 93.2 | Very high | 91.5 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -76.8 | -9.1 | 173.7 | -67.4 | -6.8 | 0 | 0 | 0 | 112.9 | R208 K238 M246 F247 | R208-D249 IonicContact CZ-OD1 2.62Å; R208-D249 IonicContact CZ-OD2 2.82Å; R208-D249 IonicContact NE-OD1 3.73Å; R208-D249 PolarHBondContact NE-OD1 2.83Å; R208-D249 IonicContact NE-OD2 3.3Å; R208-D249 PolarHBondContact NE-OD2 3.42Å; R208-D249 IonicContact NH2-OD1 3.28Å; R208-D249 IonicContact NH2-OD2 3.05Å; R208-D249 PolarHBondContact NH2-OD2 3.5Å; K238-D249 VanDerWaalsContact CE-O 3.29Å; K238-D249 WeakPolarHBondContact CE-O 3.19Å; K238-D249 PolarHBondContact NZ-O 3.3Å; M246-D249 HydrophobicContact CB-CB 4.49Å; M246-D249 WeakPolarHBondContact CB-OD2 3.11Å; M246-D249 WeakPolarHBondContact O-CB 3.01Å; M246-D249 PolarHBondContact O-N 2.93Å; F247-D249 PolarHBondContact O-N 3.12Å |
| 250 | S | 92.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | trans | -81.1 | 117.7 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | F247 T248 S252 | F247-S250 PolarHBondContact O-N 2.73Å; T248-S250 PolarHBondContact O-N 3.17Å; S250-S252 PolarHBondContact O-N 3.38Å; S250-S252 PolarHBondContact OG-N 2.82Å | ||
| 251 | E | 89.5 | Confident | 92.5 | Very high | 172 Ų | 172 | 54.7 Ų | 54.7 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | trans | -77.4 | -5.8 | 174.9 | -63.2 | -176.6 | 178.3 | 0 | 0 | 112.9 | L253 Q256 | E251-L253 PolarHBondContact O-N 2.68Å; E251-Q256 PolarHBondContact O-NE2 2.84Å; E251-Q256 VanDerWaalsContact O-NE2 3.07Å | ||
| 252 | S | 94.2 | Very high | 93 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | trans | -57.5 | 126.1 | 179 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | S250 E254 C255 Q256 | S250-S252 PolarHBondContact O-N 3.38Å; S250-S252 PolarHBondContact OG-N 2.82Å; S252-E254 PolarHBondContact O-N 2.73Å; S252-E254 PolarHBondContact OG-N 2.98Å; S252-C255 PolarHBondContact O-N 3.5Å; S252-C255 VanDerWaalsContact O-N 3.1Å; S252-C255 PolarHBondContact OG-N 3.35Å; S252-Q256 WeakPolarHBondContact O-CG 3.27Å; S252-Q256 PolarHBondContact O-N 2.96Å | ||
| 253 | L | 95.2 | Very high | 93.4 | Very high | 105 Ų | 105 | 48.9 Ų | 48.9 | 55% | 0.55 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.6 | -34.6 | 173.8 | -69.2 | 175.4 | 0 | 0 | 0 | 111.7 | E251 R257 I323 | E251-L253 PolarHBondContact O-N 2.68Å; L253-R257 WeakPolarHBondContact O-CB 3.48Å; L253-R257 PolarHBondContact O-N 3.27Å; L253-I323 HydrophobicContact CD2-CG2 4.21Å |
| 254 | E | 95.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 176.8 | -172.2 | 175.2 | -169.9 | 0 | 0 | 111.3 | K235 S252 R257 I258 | K235-E254 HydrophobicContact CD-CG 4.12Å; K235-E254 VanDerWaalsContact CD-OE1 3.27Å; K235-E254 WeakPolarHBondContact CD-OE1 3.31Å; K235-E254 WeakPolarHBondContact CE-OE1 3.24Å; K235-E254 IonicContact NZ-OE1 2.65Å; K235-E254 PolarHBondContact NZ-OE1 3.43Å; S252-E254 PolarHBondContact O-N 2.73Å; S252-E254 PolarHBondContact OG-N 2.98Å; E254-R257 PolarHBondContact O-N 3.07Å; E254-I258 HydrophobicContact CG-CD1 4.19Å; E254-I258 WeakPolarHBondContact O-CG1 3.42Å; E254-I258 PolarHBondContact O-N 3.37Å; E254-I258 VanDerWaalsContact O-N 3.07Å |
| 255 | C | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -49.1 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | C236 F247 S252 R257 I258 V259 | C236-C255 WeakPolarHBondContact CA-SG 3.42Å; C236-C255 HydrophobicContact CB-CB 4Å; C236-C255 WeakPolarHBondContact CB-SG 3.35Å; C236-C255 WeakPolarHBondContact SG-CA 3.33Å; C236-C255 WeakPolarHBondContact SG-CB 3.38Å; C236-C255 CovalentContact SG-SG 2.02Å; C236-C255 PolarHBondContact SG-SG 2.95Å; F247-C255 PolarHBondContact O-SG 3.43Å; S252-C255 PolarHBondContact O-N 3.5Å; S252-C255 VanDerWaalsContact O-N 3.1Å; S252-C255 PolarHBondContact OG-N 3.35Å; C255-R257 PolarHBondContact O-N 2.71Å; C255-I258 PolarHBondContact O-N 2.91Å; C255-V259 WeakPolarHBondContact O-CG2 3.38Å; C255-V259 PolarHBondContact O-N 3.13Å |
| 256 | Q | 95.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -36.9 | 179.3 | -68.5 | -174.4 | 52.7 | 0 | 0 | 111.6 | E251 S252 S260 N322 I323 Y324 | E251-Q256 PolarHBondContact O-NE2 2.84Å; E251-Q256 VanDerWaalsContact O-NE2 3.07Å; S252-Q256 WeakPolarHBondContact O-CG 3.27Å; S252-Q256 PolarHBondContact O-N 2.96Å; Q256-S260 WeakPolarHBondContact O-CB 3.43Å; Q256-S260 PolarHBondContact O-N 2.9Å; Q256-N322 PolarHBondContact O-ND2 3.29Å; Q256-I323 HydrophobicContact CB-CG2 4.42Å; Q256-I323 VanDerWaalsContact OE1-CG2 3.27Å; Q256-Y324 HydrophobicContact CB-CD2 4.08Å; Q256-Y324 HydrophobicContact CB-CE2 3.99Å |
| 257 | R | 96.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 174.6 | -174.6 | -176.3 | 59.2 | 76.9 | 0.2 | 111.3 | L253 E254 C255 S260 Q261 Y324 | L253-R257 WeakPolarHBondContact O-CB 3.48Å; L253-R257 PolarHBondContact O-N 3.27Å; E254-R257 PolarHBondContact O-N 3.07Å; C255-R257 PolarHBondContact O-N 2.71Å; R257-S260 PolarHBondContact O-N 3.03Å; R257-Q261 HydrophobicContact CG-CG 4.45Å; R257-Q261 WeakPolarHBondContact O-CB 3.15Å; R257-Q261 VanDerWaalsContact O-CG 3.29Å; R257-Q261 WeakPolarHBondContact O-CG 3.41Å; R257-Q261 PolarHBondContact O-N 2.8Å; R257-Y324 HydrophobicContact CB-CD2 4.27Å; R257-Y324 HydrophobicContact CB-CE2 3.57Å; R257-Y324 HydrophobicContact CG-CE2 4.39Å |
| 258 | I | 96.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -51.6 | 178.8 | -70.9 | 165.7 | 0 | 0 | 0 | 110.3 | D231 L232 K235 E254 C255 S260 Q261 L262 | D231-I258 HydrophobicContact CB-CD1 4.48Å; L232-I258 HydrophobicContact CB-CG2 4.25Å; L232-I258 HydrophobicContact CD1-CG2 4.06Å; K235-I258 HydrophobicContact CB-CD1 3.98Å; K235-I258 HydrophobicContact CD-CD1 3.23Å; K235-I258 HydrophobicContact CG-CD1 4.23Å; E254-I258 HydrophobicContact CG-CD1 4.19Å; E254-I258 WeakPolarHBondContact O-CG1 3.42Å; E254-I258 PolarHBondContact O-N 3.37Å; E254-I258 VanDerWaalsContact O-N 3.07Å; C255-I258 PolarHBondContact O-N 2.91Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 3.19Å; I258-Q261 PolarHBondContact O-N 3.27Å; I258-Q261 VanDerWaalsContact O-N 3.1Å; I258-L262 HydrophobicContact CG2-CD1 3.79Å; I258-L262 HydrophobicContact CG2-CG 4.09Å; I258-L262 VanDerWaalsContact O-CG 3.32Å; I258-L262 WeakPolarHBondContact O-CG 3.36Å; I258-L262 PolarHBondContact O-N 2.99Å |
| 259 | V | 96.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.7 | -46.8 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | L215 L232 F247 C255 L262 Y263 F319 | L215-V259 HydrophobicContact CD1-CG1 4.19Å; L215-V259 HydrophobicContact CD1-CG2 4.04Å; L215-V259 HydrophobicContact CD2-CG1 4.45Å; L232-V259 HydrophobicContact CD1-CG2 3.81Å; F247-V259 HydrophobicContact CB-CG2 4.49Å; C255-V259 WeakPolarHBondContact O-CG2 3.38Å; C255-V259 PolarHBondContact O-N 3.13Å; V259-L262 PolarHBondContact O-N 3.38Å; V259-Y263 WeakPolarHBondContact O-CB 3.23Å; V259-Y263 PolarHBondContact O-N 2.93Å; V259-Y263 VanDerWaalsContact O-N 3.08Å; V259-F319 HydrophobicContact CG1-CD1 3.55Å; V259-F319 HydrophobicContact CG1-CE1 3.59Å; V259-F319 HydrophobicContact CG1-CG 4.26Å; V259-F319 HydrophobicContact CG1-CZ 4.34Å |
| 260 | S | 94.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 112 | Q256 R257 I258 E264 | Q256-S260 WeakPolarHBondContact O-CB 3.43Å; Q256-S260 PolarHBondContact O-N 2.9Å; R257-S260 PolarHBondContact O-N 3.03Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 3.19Å; S260-E264 WeakPolarHBondContact O-CB 3.3Å; S260-E264 WeakPolarHBondContact O-CG 3.37Å; S260-E264 PolarHBondContact O-N 2.68Å |
| 261 | Q | 93.7 | Very high | 92.6 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 179.2 | -76.2 | 178.1 | -23.8 | 0 | 0 | 112.9 | R257 I258 E264 T265 | R257-Q261 HydrophobicContact CG-CG 4.45Å; R257-Q261 WeakPolarHBondContact O-CB 3.15Å; R257-Q261 VanDerWaalsContact O-CG 3.29Å; R257-Q261 WeakPolarHBondContact O-CG 3.41Å; R257-Q261 PolarHBondContact O-N 2.8Å; I258-Q261 PolarHBondContact O-N 3.27Å; I258-Q261 VanDerWaalsContact O-N 3.1Å; Q261-E264 PolarHBondContact O-N 2.94Å; Q261-T265 VanDerWaalsContact O-CB 3.26Å; Q261-T265 WeakPolarHBondContact O-CB 3.19Å; Q261-T265 PolarHBondContact O-N 2.91Å; Q261-T265 PolarHBondContact O-OG1 3.07Å |
| 262 | L | 94.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -48.4 | 177.9 | -67.4 | -178.4 | 0 | 0 | 0 | 111 | I218 I224 L232 I258 V259 E264 T265 A266 | I218-L262 HydrophobicContact CD1-CB 4.26Å; I224-L262 HydrophobicContact CD1-CD1 4.38Å; I224-L262 HydrophobicContact CG2-CD2 4.14Å; L232-L262 HydrophobicContact CB-CD1 3.97Å; L232-L262 HydrophobicContact CD1-CD1 4.11Å; L232-L262 HydrophobicContact CD2-CD1 4.08Å; L232-L262 HydrophobicContact CG-CD1 4.28Å; I258-L262 HydrophobicContact CG2-CD1 3.79Å; I258-L262 HydrophobicContact CG2-CG 4.09Å; I258-L262 VanDerWaalsContact O-CG 3.32Å; I258-L262 WeakPolarHBondContact O-CG 3.36Å; I258-L262 PolarHBondContact O-N 2.99Å; V259-L262 PolarHBondContact O-N 3.38Å; L262-E264 PolarHBondContact O-N 2.87Å; L262-T265 PolarHBondContact O-N 3.02Å; L262-A266 WeakPolarHBondContact O-CB 3.11Å; L262-A266 PolarHBondContact O-N 2.7Å |
| 263 | Y | 92.4 | Very high | 92.9 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.6 | -52.2 | 175.2 | 173.8 | -107.7 | 0 | 0 | 0 | 111.4 | L214 V259 T265 M267 L318 F319 M325 | L214-Y263 HydrophobicContact CD2-CD2 4.15Å; L214-Y263 HydrophobicContact CD2-CE2 4.15Å; V259-Y263 WeakPolarHBondContact O-CB 3.23Å; V259-Y263 PolarHBondContact O-N 2.93Å; V259-Y263 VanDerWaalsContact O-N 3.08Å; Y263-T265 PolarHBondContact O-N 3.32Å; Y263-M267 HydrophobicContact CD2-CG 3.59Å; Y263-M267 HydrophobicContact CE2-CB 4.38Å; Y263-M267 HydrophobicContact CE2-CE 4.43Å; Y263-M267 HydrophobicContact CE2-CG 3.59Å; Y263-M267 HydrophobicContact CG-CG 4.39Å; Y263-M267 VanDerWaalsContact O-CB 3.22Å; Y263-M267 WeakPolarHBondContact O-CB 3.39Å; Y263-M267 WeakPolarHBondContact O-CG 3.45Å; Y263-M267 PolarHBondContact O-N 2.8Å; Y263-L318 HydrophobicContact CE2-CD1 3.65Å; Y263-F319 HydrophobicContact CD1-CD2 4.29Å; Y263-F319 AromaticContact CD2-CD2 3.9Å; Y263-F319 HydrophobicContact CD2-CD2 3.9Å; Y263-F319 AromaticContact CD2-CE2 3.43Å; Y263-F319 HydrophobicContact CD2-CE2 3.43Å; Y263-F319 VanDerWaalsContact CD2-CE2 3.43Å; Y263-F319 HydrophobicContact CE2-CD2 4.36Å; Y263-F319 HydrophobicContact CE2-CE2 4.09Å; Y263-F319 AromaticContact CG-CD2 3.83Å; Y263-F319 HydrophobicContact CG-CD2 3.83Å; Y263-F319 AromaticContact CG-CE2 3.68Å; Y263-F319 HydrophobicContact CG-CE2 3.68Å; Y263-M325 HydrophobicContact CD1-CE 3.69Å; Y263-M325 HydrophobicContact CD1-SD 4.22Å; Y263-M325 HydrophobicContact CE1-CE 3.58Å |
| 264 | E | 87.5 | Confident | 93 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | -177.4 | -70.5 | -69.2 | 178 | 0 | 0 | 113.1 | S260 Q261 L262 K268 R328 | S260-E264 WeakPolarHBondContact O-CB 3.3Å; S260-E264 WeakPolarHBondContact O-CG 3.37Å; S260-E264 PolarHBondContact O-N 2.68Å; Q261-E264 PolarHBondContact O-N 2.94Å; L262-E264 PolarHBondContact O-N 2.87Å; E264-K268 VanDerWaalsContact O-CB 3.29Å; E264-K268 WeakPolarHBondContact O-CB 3.36Å; E264-K268 PolarHBondContact O-N 3.47Å; E264-R328 IonicContact OE1-CZ 3.57Å; E264-R328 IonicContact OE1-NE 2.82Å; E264-R328 IonicContact OE1-NH1 2.88Å; E264-R328 PolarHBondContact OE1-NH1 2.88Å; E264-R328 IonicContact OE2-CZ 2.64Å; E264-R328 IonicContact OE2-NH1 3.63Å; E264-R328 PolarHBondContact OE2-NH1 2.93Å; E264-R328 IonicContact OE2-NH2 2.68Å |
| 265 | T | 88.4 | Confident | 93.1 | Very high | 104 Ų | 104 | 33.9 Ų | 33.9 | 64% | 0.638 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -74.9 | -43.9 | -178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | Q261 L262 Y263 | Q261-T265 VanDerWaalsContact O-CB 3.26Å; Q261-T265 WeakPolarHBondContact O-CB 3.19Å; Q261-T265 PolarHBondContact O-N 2.91Å; Q261-T265 PolarHBondContact O-OG1 3.07Å; L262-T265 PolarHBondContact O-N 3.02Å; Y263-T265 PolarHBondContact O-N 3.32Å |
| 266 | A | 91.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.1 | -41.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I218 L223 I224 L262 L270 | I218-A266 HydrophobicContact CB-CB 4.24Å; I218-A266 HydrophobicContact CD1-CB 4.08Å; I218-A266 HydrophobicContact CG2-CB 4.3Å; L223-A266 HydrophobicContact CB-CB 3.95Å; I224-A266 HydrophobicContact CG2-CB 4.04Å; L262-A266 WeakPolarHBondContact O-CB 3.11Å; L262-A266 PolarHBondContact O-N 2.7Å; A266-L270 WeakPolarHBondContact O-CD1 3.36Å |
| 267 | M | 88.8 | Confident | 93.1 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -85.8 | -13.1 | -172.9 | -59.7 | -65 | -68.8 | 0 | 0 | 113.5 | I218 Y263 G269 L270 E272 M417 | I218-M267 HydrophobicContact CG2-SD 4.34Å; Y263-M267 HydrophobicContact CD2-CG 3.59Å; Y263-M267 HydrophobicContact CE2-CB 4.38Å; Y263-M267 HydrophobicContact CE2-CE 4.43Å; Y263-M267 HydrophobicContact CE2-CG 3.59Å; Y263-M267 HydrophobicContact CG-CG 4.39Å; Y263-M267 VanDerWaalsContact O-CB 3.22Å; Y263-M267 WeakPolarHBondContact O-CB 3.39Å; Y263-M267 WeakPolarHBondContact O-CG 3.45Å; Y263-M267 PolarHBondContact O-N 2.8Å; M267-G269 PolarHBondContact O-N 3.28Å; M267-L270 PolarHBondContact O-N 2.77Å; M267-L270 VanDerWaalsContact O-N 3.1Å; M267-E272 HydrophobicContact CE-CB 3.34Å; M267-M417 HydrophobicContact CE-CB 3.86Å; M267-M417 HydrophobicContact CE-CE 3.72Å; M267-M417 HydrophobicContact CE-SD 4.15Å; M267-M417 HydrophobicContact SD-CB 4.39Å; M267-M417 HydrophobicContact SD-CE 3.81Å; M267-M417 HydrophobicContact SD-SD 3.73Å |
| 268 | K | 86.2 | Confident | 92.9 | Very high | 116 Ų | 116 | 47.2 Ų | 47.2 | 50% | 0.504 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 109.5 | -172 | -176.5 | 173 | -177.2 | 176.6 | 0 | 112 | E264 L270 | E264-K268 VanDerWaalsContact O-CB 3.29Å; E264-K268 WeakPolarHBondContact O-CB 3.36Å; E264-K268 PolarHBondContact O-N 3.47Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.99Å |
| 269 | G | 85.7 | Confident | 92.7 | Very high | 25 Ų | 25 | 48 Ų | 48 | 26% | 0.258 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 1.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M267 C279 | M267-G269 PolarHBondContact O-N 3.28Å; G269-C279 WeakPolarHBondContact O-CB 3.29Å |
| 270 | L | 92.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -85.2 | 152.2 | 169.2 | -63.9 | -177.9 | 0 | 0 | 0 | 110.2 | L223 A266 M267 K268 E272 L275 C347 M417 | L223-L270 HydrophobicContact CD1-CD1 3.89Å; L223-L270 HydrophobicContact CD2-CD1 3.82Å; L223-L270 HydrophobicContact CG-CD1 4.46Å; A266-L270 WeakPolarHBondContact O-CD1 3.36Å; M267-L270 PolarHBondContact O-N 2.77Å; M267-L270 VanDerWaalsContact O-N 3.1Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 2.99Å; L270-E272 PolarHBondContact O-N 2.95Å; L270-L275 HydrophobicContact CD1-CD1 3.91Å; L270-C347 PolarHBondContact O-SG 2.76Å; L270-M417 HydrophobicContact CB-CE 4.28Å |
| 271 | N | 94 | Very high | 91.9 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | trans | -77.5 | 108.3 | 170.3 | -173.7 | -19.8 | 0 | 0 | 0 | 109.5 | Y273 N274 L275 E278 C279 C347 M417 | N271-Y273 PolarHBondContact O-N 3.07Å; N271-Y273 WeakPolarHBondContact OD1-CB 3.47Å; N271-Y273 PolarHBondContact OD1-N 2.53Å; N271-N274 WeakPolarHBondContact CB-O 3.42Å; N271-N274 CarbonylContact O-C 3.56Å; N271-N274 PolarHBondContact O-N 2.78Å; N271-N274 PolarHBondContact OD1-N 3.39Å; N271-L275 PolarHBondContact O-N 3.34Å; N271-E278 PolarHBondContact ND2-O 2.96Å; N271-C279 HydrophobicContact CB-CB 4.37Å; N271-C347 VanDerWaalsContact CA-SG 3.57Å; N271-C347 HydrophobicContact CB-CB 3.8Å; N271-M417 WeakPolarHBondContact O-CE 3.43Å | ||
| 272 | E | 93.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.6 | -180 | 70.3 | 173.1 | -171.7 | 0 | 0 | 113.5 | M267 L270 P346 M417 A418 | M267-E272 HydrophobicContact CE-CB 3.34Å; L270-E272 PolarHBondContact O-N 2.95Å; E272-P346 HydrophobicContact CG-CB 4.44Å; E272-P346 HydrophobicContact CG-CG 3.91Å; E272-P346 WeakPolarHBondContact OE1-CG 3.16Å; E272-M417 WeakPolarHBondContact O-CA 3.14Å; E272-M417 WeakPolarHBondContact O-CB 3.05Å; E272-M417 PolarHBondContact O-N 3.25Å; E272-A418 PolarHBondContact O-N 3.1Å |
| 273 | Y | 96.3 | Very high | 90.9 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -21.1 | 177.6 | -59.8 | -49.8 | 0 | 0 | 0 | 112.4 | N271 M345 P346 E348 A418 G476 H477 M478 | N271-Y273 PolarHBondContact O-N 3.07Å; N271-Y273 WeakPolarHBondContact OD1-CB 3.47Å; N271-Y273 PolarHBondContact OD1-N 2.53Å; Y273-M345 HydrophobicContact CD2-CE 4.43Å; Y273-M345 HydrophobicContact CE2-CB 4.04Å; Y273-M345 HydrophobicContact CE2-CE 3.93Å; Y273-M345 HydrophobicContact CE2-CG 4.5Å; Y273-P346 WeakPolarHBondContact CD2-O 3.45Å; Y273-P346 HydrophobicContact CE2-CG 3.72Å; Y273-P346 VanDerWaalsContact CE2-O 3.25Å; Y273-P346 WeakPolarHBondContact CE2-O 3.44Å; Y273-P346 WeakPolarHBondContact OH-CD 3.01Å; Y273-E348 HydrophobicContact CD2-CG 3.96Å; Y273-E348 HydrophobicContact CE2-CG 4.26Å; Y273-A418 HydrophobicContact CD1-CB 3.75Å; Y273-A418 HydrophobicContact CE1-CB 3.73Å; Y273-G476 CarbonylContact O-C 3.52Å; Y273-G476 VanDerWaalsContact O-C 3.31Å; Y273-G476 WeakPolarHBondContact O-CA 3.45Å; Y273-H477 HydrophobicContact CD1-CB 3.62Å; Y273-H477 AromaticContact CD1-CD2 3.61Å; Y273-H477 AromaticContact CD1-CG 3.56Å; Y273-H477 AromaticContact CE1-CD2 3.85Å; Y273-H477 HydrophobicContact CG-CB 4Å; Y273-H477 PolarHBondContact O-N 3.43Å; Y273-M478 HydrophobicContact CG-CE 4.4Å |
| 274 | N | 97.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | trans | -156.4 | 100.1 | 176.3 | -176.1 | -36.2 | 0 | 0 | 0 | 109.4 | N271 Y276 S277 I415 D482 | N271-N274 WeakPolarHBondContact CB-O 3.42Å; N271-N274 CarbonylContact O-C 3.56Å; N271-N274 PolarHBondContact O-N 2.78Å; N271-N274 PolarHBondContact OD1-N 3.39Å; N274-Y276 PolarHBondContact O-N 3.18Å; N274-Y276 PolarHBondContact OD1-N 3.14Å; N274-S277 PolarHBondContact ND2-OG 3.06Å; N274-S277 PolarHBondContact O-N 2.65Å; N274-S277 PolarHBondContact OD1-N 3.17Å; N274-S277 PolarHBondContact OD1-OG 2.85Å; N274-I415 WeakPolarHBondContact OD1-CD1 3.47Å; N274-D482 PolarHBondContact ND2-OD2 3.41Å | ||
| 275 | L | 97.1 | Very high | 87.8 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -33.7 | -173.1 | 171.9 | 62 | 0 | 0 | 0 | 113.6 | F217 H221 L223 L270 N271 I415 M417 | F217-L275 HydrophobicContact CE1-CD2 4.01Å; H221-L275 HydrophobicContact CB-CD2 3.7Å; L223-L275 HydrophobicContact CD1-CD1 4.01Å; L223-L275 HydrophobicContact CD2-CD1 4.1Å; L270-L275 HydrophobicContact CD1-CD1 3.91Å; N271-L275 PolarHBondContact O-N 3.34Å; L275-I415 PolarHBondContact N-O 2.93Å; L275-M417 HydrophobicContact CB-CE 4.1Å; L275-M417 HydrophobicContact CB-SD 4.33Å; L275-M417 HydrophobicContact CD1-CE 3.71Å; L275-M417 HydrophobicContact CD1-SD 3.93Å; L275-M417 HydrophobicContact CG-CE 4.49Å |
| 276 | Y | 97.1 | Very high | 85.8 | Confident | 156 Ų | 156 | 62.5 Ų | 62.5 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0.7 | -174.1 | -56.8 | -50.7 | 0 | 0 | 0 | 113.8 | H221 N274 I415 | H221-Y276 PolarHBondContact CD2-OH 3.44Å; N274-Y276 PolarHBondContact O-N 3.18Å; N274-Y276 PolarHBondContact OD1-N 3.14Å; Y276-I415 HydrophobicContact CD2-CB 3.99Å; Y276-I415 HydrophobicContact CD2-CD1 3.78Å; Y276-I415 HydrophobicContact CD2-CG1 4.49Å; Y276-I415 HydrophobicContact CD2-CG2 3.61Å; Y276-I415 HydrophobicContact CE2-CB 4.08Å; Y276-I415 HydrophobicContact CE2-CG2 3.35Å |
| 277 | S | 95.1 | Very high | 83.2 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -91.6 | 156.9 | 173.2 | -73.7 | 0 | 0 | 0 | 0 | 111.7 | N274 | N274-S277 PolarHBondContact ND2-OG 3.06Å; N274-S277 PolarHBondContact O-N 2.65Å; N274-S277 PolarHBondContact OD1-N 3.17Å; N274-S277 PolarHBondContact OD1-OG 2.85Å |
| 278 | E | 93.3 | Very high | 80.8 | Confident | 185 Ų | 185 | 68.2 Ų | 68.2 | 86% | 0.864 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 151.4 | 169.5 | -62.1 | -174.4 | 170.2 | 0 | 0 | 110.6 | N271 | N271-E278 PolarHBondContact ND2-O 2.96Š|
| 279 | C | 92.2 | Very high | 78.3 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 117.3 | 172.9 | 178 | 0 | 0 | 0 | 0 | 109.7 | G269 N271 G281 G282 C347 | G269-C279 WeakPolarHBondContact O-CB 3.29Å; N271-C279 HydrophobicContact CB-CB 4.37Å; C279-G281 PolarHBondContact O-N 2.84Å; C279-G282 WeakPolarHBondContact O-CA 3.08Å; C279-G282 PolarHBondContact O-N 2.97Å; C279-C347 HydrophobicContact CB-CB 3.72Å; C279-C347 WeakPolarHBondContact CB-SG 3.24Å; C279-C347 WeakPolarHBondContact SG-CA 3.32Å; C279-C347 WeakPolarHBondContact SG-CB 3.45Å; C279-C347 CovalentContact SG-SG 2.04Å; C279-C347 PolarHBondContact SG-SG 3.48Å |
| 280 | A | 89.6 | Confident | 76.2 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 35% | 0.347 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 130.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G282 C347 D349 | A280-G282 VanDerWaalsContact C-N 3.27Å; A280-C347 WeakPolarHBondContact CB-O 3.28Å; A280-C347 PolarHBondContact N-O 2.05Å; A280-D349 HydrophobicContact CB-CB 4.06Å |
| 281 | G | 84.2 | Confident | 73.6 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 81% | 0.814 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -8.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C279 | C279-G281 PolarHBondContact O-N 2.84Š|
| 282 | G | 84.1 | Confident | 70.9 | Confident | 34 Ų | 34 | 82 Ų | 82 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | trans | 66.9 | -171.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C279 A280 Q284 | C279-G282 WeakPolarHBondContact O-CA 3.08Å; C279-G282 PolarHBondContact O-N 2.97Å; A280-G282 VanDerWaalsContact C-N 3.27Å; G282-Q284 PolarHBondContact O-N 3.16Å | ||
| 283 | V | 81.4 | Confident | 68.5 | Low | 92 Ų | 92 | 85.4 Ų | 85.4 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | trans | -67.8 | 102.6 | 177.7 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | M285 | V283-M285 PolarHBondContact O-N 2.67Š| ||
| 284 | Q | 65.8 | Low | 65.9 | Low | 117 Ų | 117 | 90.6 Ų | 90.6 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | trans | -66.2 | 111.7 | 171.9 | -65.2 | -173.3 | 18.3 | 0 | 0 | 108.8 | G282 S286 H313 | G282-Q284 PolarHBondContact O-N 3.16Å; Q284-S286 PolarHBondContact O-N 3.13Å; Q284-H313 PolarHBondContact NE2-NE2 2.93Å | ||
| 285 | M | 48.9 | Very low | 63.5 | Low | 178 Ų | 178 | 91.6 Ų | 91.6 | 88% | 0.877 | 52% | 0.523 | S | S | * | . | trans | -69.1 | 79.4 | 165.4 | -76.3 | -176.7 | 62.5 | 0 | 0 | 108.5 | V283 S287 | V283-M285 PolarHBondContact O-N 2.67Å; M285-S287 PolarHBondContact O-N 2.97Å | ||
| 286 | S | 47.8 | Very low | 61.4 | Low | 52 Ų | 52 | 93.1 Ų | 93.1 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | trans | -60.4 | 126 | 164.9 | 62 | 0 | 0 | 0 | 0 | 107.7 | Q284 F288 | Q284-S286 PolarHBondContact O-N 3.13Å; S286-F288 PolarHBondContact O-N 3.32Å | ||
| 287 | S | 35.1 | Very low | 59.4 | Low | 67 Ų | 67 | 92.7 Ų | 92.7 | 47% | 0.469 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -59.6 | -6.1 | 172.7 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | M285 N289 | M285-S287 PolarHBondContact O-N 2.97Å; S287-N289 PolarHBondContact O-N 3.42Å |
| 288 | F | 39 | Very low | 57.4 | Low | 77 Ų | 77 | 94.9 Ų | 94.9 | 34% | 0.338 | 55% | 0.553 | S | S | . | * | trans | -68.4 | 99.2 | 173.5 | -77.8 | -93.2 | 0 | 0 | 0 | 111.3 | S286 S290 M295 I303 | S286-F288 PolarHBondContact O-N 3.32Å; F288-S290 PolarHBondContact O-N 3.46Å; F288-M295 HydrophobicContact CE1-CB 3.82Å; F288-M295 HydrophobicContact CE1-CE 3.91Å; F288-M295 HydrophobicContact CE1-CG 3.74Å; F288-M295 HydrophobicContact CE1-SD 3.73Å; F288-M295 HydrophobicContact CE2-SD 4.06Å; F288-M295 HydrophobicContact CZ-CB 4.33Å; F288-M295 HydrophobicContact CZ-CE 3.64Å; F288-M295 HydrophobicContact CZ-CG 3.81Å; F288-M295 HydrophobicContact CZ-SD 3.21Å; F288-M295 WeakPolarHBondContact CZ-SD 3.49Å; F288-I303 HydrophobicContact CE2-CD1 4.09Å | ||
| 289 | N | 33.6 | Very low | 55.6 | Low | 117 Ų | 117 | 88.6 Ų | 88.6 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | trans | -67.6 | 112.1 | 162.2 | -117.7 | -15.5 | 0 | 0 | 0 | 108.3 | S287 N291 H292 | S287-N289 PolarHBondContact O-N 3.42Å; N289-N291 PolarHBondContact O-N 3.31Å; N289-H292 PolarHBondContact O-N 3.46Å | ||
| 290 | S | 41 | Very low | 54 | Low | 101 Ų | 101 | 90.1 Ų | 90.1 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -10 | 178.8 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | F288 | F288-S290 PolarHBondContact O-N 3.46Š|
| 291 | N | 38.8 | Very low | 52.4 | Low | 137 Ų | 137 | 91.1 Ų | 91.1 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.3 | 175.5 | -75.8 | -15.1 | 0 | 0 | 0 | 114.7 | N289 | N289-N291 PolarHBondContact O-N 3.31Š|
| 292 | H | 37.6 | Very low | 51.2 | Low | 139 Ų | 139 | 90.9 Ų | 90.9 | 64% | 0.644 | 52% | 0.52 | S | S | * | . | trans | -114 | 111.5 | 171.3 | -87.4 | -76.2 | 0 | 0 | 0 | 110.1 | N289 L294 | N289-H292 PolarHBondContact O-N 3.46Å; H292-L294 PolarHBondContact O-N 2.97Å | ||
| 293 | S | 42.7 | Very low | 49.9 | Very low | 101 Ų | 101 | 90.7 Ų | 90.7 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -64.1 | 7.6 | 170.1 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 294 | L | 41.8 | Very low | 48.9 | Very low | 122 Ų | 122 | 90 Ų | 90 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -139.5 | 111 | -175.9 | -76 | 157.9 | 0 | 0 | 0 | 107.8 | H292 S296 | H292-L294 PolarHBondContact O-N 2.97Å; L294-S296 PolarHBondContact O-N 3.24Å |
| 295 | M | 47.6 | Very low | 48.5 | Very low | 35 Ų | 35 | 88.6 Ų | 88.6 | 17% | 0.172 | 51% | 0.511 | C | S | . | . | trans | -55.4 | 128 | 165 | -169.7 | 174.2 | 4.8 | 0 | 0 | 107.9 | F288 E299 L300 I303 L335 | F288-M295 HydrophobicContact CE1-CB 3.82Å; F288-M295 HydrophobicContact CE1-CE 3.91Å; F288-M295 HydrophobicContact CE1-CG 3.74Å; F288-M295 HydrophobicContact CE1-SD 3.73Å; F288-M295 HydrophobicContact CE2-SD 4.06Å; F288-M295 HydrophobicContact CZ-CB 4.33Å; F288-M295 HydrophobicContact CZ-CE 3.64Å; F288-M295 HydrophobicContact CZ-CG 3.81Å; F288-M295 HydrophobicContact CZ-SD 3.21Å; F288-M295 WeakPolarHBondContact CZ-SD 3.49Å; M295-E299 HydrophobicContact CG-CB 3.97Å; M295-L300 HydrophobicContact CB-CD1 3.97Å; M295-L300 HydrophobicContact CE-CD1 3.82Å; M295-L300 HydrophobicContact CE-CD2 4.29Å; M295-L300 HydrophobicContact CE-CG 3.75Å; M295-L300 HydrophobicContact CG-CD1 4.01Å; M295-L300 HydrophobicContact CG-CG 4.03Å; M295-L300 HydrophobicContact SD-CB 4.33Å; M295-L300 HydrophobicContact SD-CD1 4.04Å; M295-L300 HydrophobicContact SD-CD2 4.47Å; M295-L300 HydrophobicContact SD-CG 3.57Å; M295-L300 VanDerWaalsContact SD-CG 3.57Å; M295-I303 HydrophobicContact SD-CD1 3.97Å; M295-L335 HydrophobicContact CE-CD1 4.04Å; M295-L335 HydrophobicContact CE-CD2 4.24Å; M295-L335 HydrophobicContact CE-CG 4.39Å; M295-L335 HydrophobicContact SD-CD1 4.45Å | ||
| 296 | S | 52.2 | Low | 49 | Very low | 45 Ų | 45 | 82.3 Ų | 82.3 | 32% | 0.315 | 49% | 0.485 | S | S | . | . | trans | -65.6 | 149.5 | -179.6 | 94 | 0 | 0 | 0 | 0 | 109.4 | L294 T298 E299 L300 | L294-S296 PolarHBondContact O-N 3.24Å; S296-T298 PolarHBondContact O-N 3.27Å; S296-T298 VanDerWaalsContact O-N 3.14Å; S296-T298 PolarHBondContact OG-N 3.36Å; S296-T298 PolarHBondContact OG-OG1 2.87Å; S296-E299 PolarHBondContact N-OE2 3.46Å; S296-E299 PolarHBondContact O-N 3.04Å; S296-E299 VanDerWaalsContact O-N 3.09Å; S296-E299 PolarHBondContact OG-N 3.36Å; S296-E299 VanDerWaalsContact OG-N 3.13Å; S296-L300 PolarHBondContact O-N 3.08Å | ||
| 297 | I | 55.2 | Low | 49.3 | Very low | 148 Ų | 148 | 85.7 Ų | 85.7 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -55.8 | -33 | 177 | -68.1 | 172.7 | 0 | 0 | 0 | 110.7 | S301 | I297-S301 VanDerWaalsContact O-CB 3.27Å; I297-S301 WeakPolarHBondContact O-CB 3.28Å; I297-S301 PolarHBondContact O-N 3.06Å; I297-S301 PolarHBondContact O-OG 2.95Å |
| 298 | T | 53.2 | Low | 50.7 | Low | 101 Ų | 101 | 90.5 Ų | 90.5 | 62% | 0.62 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.1 | -38.2 | 179.1 | 51 | 0 | 0 | 0 | 0 | 112.2 | S296 S301 S302 | S296-T298 PolarHBondContact O-N 3.27Å; S296-T298 VanDerWaalsContact O-N 3.14Å; S296-T298 PolarHBondContact OG-N 3.36Å; S296-T298 PolarHBondContact OG-OG1 2.87Å; T298-S301 WeakPolarHBondContact CA-OG 3.49Å; T298-S301 PolarHBondContact O-N 2.5Å; T298-S301 PolarHBondContact O-OG 3.2Å; T298-S302 PolarHBondContact O-N 2.97Å; T298-S302 PolarHBondContact O-OG 2.8Å |
| 299 | E | 56.8 | Low | 52.3 | Low | 52 Ų | 52 | 91.1 Ų | 91.1 | 24% | 0.243 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 172.4 | -71.5 | 172 | 160.6 | 0 | 0 | 111.6 | M295 S296 S301 S302 I303 | M295-E299 HydrophobicContact CG-CB 3.97Å; S296-E299 PolarHBondContact N-OE2 3.46Å; S296-E299 PolarHBondContact O-N 3.04Å; S296-E299 VanDerWaalsContact O-N 3.09Å; S296-E299 PolarHBondContact OG-N 3.36Å; S296-E299 VanDerWaalsContact OG-N 3.13Å; E299-S301 VanDerWaalsContact C-N 3.28Å; E299-S301 PolarHBondContact O-N 2.92Å; E299-S302 PolarHBondContact O-N 3.37Å; E299-S302 PolarHBondContact O-OG 3.36Å; E299-I303 VanDerWaalsContact O-CB 3.22Å; E299-I303 WeakPolarHBondContact O-CB 3.27Å; E299-I303 WeakPolarHBondContact O-CD1 3.33Å; E299-I303 WeakPolarHBondContact O-CG1 3.33Å; E299-I303 PolarHBondContact O-N 3.48Å |
| 300 | L | 57.1 | Low | 54.3 | Low | 56 Ų | 56 | 87.3 Ų | 87.3 | 29% | 0.293 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 171.8 | -110.8 | 142.2 | 0 | 0 | 0 | 110.8 | M295 S296 L304 L335 | M295-L300 HydrophobicContact CB-CD1 3.97Å; M295-L300 HydrophobicContact CE-CD1 3.82Å; M295-L300 HydrophobicContact CE-CD2 4.29Å; M295-L300 HydrophobicContact CE-CG 3.75Å; M295-L300 HydrophobicContact CG-CD1 4.01Å; M295-L300 HydrophobicContact CG-CG 4.03Å; M295-L300 HydrophobicContact SD-CB 4.33Å; M295-L300 HydrophobicContact SD-CD1 4.04Å; M295-L300 HydrophobicContact SD-CD2 4.47Å; M295-L300 HydrophobicContact SD-CG 3.57Å; M295-L300 VanDerWaalsContact SD-CG 3.57Å; S296-L300 PolarHBondContact O-N 3.08Å; L300-L304 HydrophobicContact CD2-CD1 3.88Å; L300-L304 HydrophobicContact CD2-CG 4.46Å; L300-L304 VanDerWaalsContact O-CB 3.22Å; L300-L304 WeakPolarHBondContact O-CB 3.08Å; L300-L304 WeakPolarHBondContact O-CD1 3.12Å; L300-L304 WeakPolarHBondContact O-CG 3.08Å; L300-L304 PolarHBondContact O-N 2.81Å; L300-L335 HydrophobicContact CD2-CD2 3.98Å |
| 301 | S | 56.3 | Low | 55.9 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 44% | 0.441 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | -178.4 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | I297 T298 E299 L304 A305 | I297-S301 VanDerWaalsContact O-CB 3.27Å; I297-S301 WeakPolarHBondContact O-CB 3.28Å; I297-S301 PolarHBondContact O-N 3.06Å; I297-S301 PolarHBondContact O-OG 2.95Å; T298-S301 WeakPolarHBondContact CA-OG 3.49Å; T298-S301 PolarHBondContact O-N 2.5Å; T298-S301 PolarHBondContact O-OG 3.2Å; E299-S301 VanDerWaalsContact C-N 3.28Å; E299-S301 PolarHBondContact O-N 2.92Å; S301-L304 PolarHBondContact O-N 3.26Å; S301-A305 WeakPolarHBondContact O-CB 3.36Å; S301-A305 PolarHBondContact O-N 3.07Å |
| 302 | S | 58.5 | Low | 57.8 | Low | 74 Ų | 74 | 81 Ų | 81 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -72 | -38.6 | 178.7 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | T298 E299 A305 S306 | T298-S302 PolarHBondContact O-N 2.97Å; T298-S302 PolarHBondContact O-OG 2.8Å; E299-S302 PolarHBondContact O-N 3.37Å; E299-S302 PolarHBondContact O-OG 3.36Å; S302-A305 PolarHBondContact O-N 3.42Å; S302-S306 PolarHBondContact O-N 3.14Å |
| 303 | I | 58 | Low | 59.8 | Low | 30 Ų | 30 | 76.9 Ų | 76.9 | 15% | 0.154 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.4 | -59.9 | 170.4 | -73.2 | 167.9 | 0 | 0 | 0 | 107.5 | F288 M295 E299 A305 S306 L335 R339 | F288-I303 HydrophobicContact CE2-CD1 4.09Å; M295-I303 HydrophobicContact SD-CD1 3.97Å; E299-I303 VanDerWaalsContact O-CB 3.22Å; E299-I303 WeakPolarHBondContact O-CB 3.27Å; E299-I303 WeakPolarHBondContact O-CD1 3.33Å; E299-I303 WeakPolarHBondContact O-CG1 3.33Å; E299-I303 PolarHBondContact O-N 3.48Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 2.9Å; I303-S306 PolarHBondContact O-N 2.78Å; I303-S306 PolarHBondContact O-OG 2.91Å; I303-L335 HydrophobicContact CG2-CD2 4.08Å; I303-R339 PolarHBondContact O-NH1 2.7Å; I303-R339 PolarHBondContact O-NH2 3.48Å |
| 304 | L | 59.5 | Low | 61.7 | Low | 79 Ų | 79 | 74.3 Ų | 74.3 | 41% | 0.414 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.8 | -29.2 | -178.2 | -70.5 | 168.7 | 0 | 0 | 0 | 114.3 | L300 S301 S306 N338 R339 | L300-L304 HydrophobicContact CD2-CD1 3.88Å; L300-L304 HydrophobicContact CD2-CG 4.46Å; L300-L304 VanDerWaalsContact O-CB 3.22Å; L300-L304 WeakPolarHBondContact O-CB 3.08Å; L300-L304 WeakPolarHBondContact O-CD1 3.12Å; L300-L304 WeakPolarHBondContact O-CG 3.08Å; L300-L304 PolarHBondContact O-N 2.81Å; S301-L304 PolarHBondContact O-N 3.26Å; L304-S306 VanDerWaalsContact C-N 3.32Å; L304-N338 HydrophobicContact CD2-CB 4.48Å; L304-R339 VanDerWaalsContact CA-NH2 3.28Å; L304-R339 VanDerWaalsContact N-NH2 3.2Å |
| 305 | A | 58 | Low | 63.8 | Low | 86 Ų | 86 | 69.1 Ų | 69.1 | 71% | 0.711 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -75.7 | -15.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S301 S302 I303 | S301-A305 WeakPolarHBondContact O-CB 3.36Å; S301-A305 PolarHBondContact O-N 3.07Å; S302-A305 PolarHBondContact O-N 3.42Å; I303-A305 VanDerWaalsContact C-N 3.26Å; I303-A305 PolarHBondContact O-N 2.9Å |
| 306 | S | 59 | Low | 65.6 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 33% | 0.329 | 39% | 0.387 | S | S | . | . | trans | -78.4 | 125.9 | 177.3 | 75 | 0 | 0 | 0 | 0 | 111.6 | S302 I303 L304 K308 R339 | S302-S306 PolarHBondContact O-N 3.14Å; I303-S306 PolarHBondContact O-N 2.78Å; I303-S306 PolarHBondContact O-OG 2.91Å; L304-S306 VanDerWaalsContact C-N 3.32Å; S306-K308 PolarHBondContact O-N 3.4Å; S306-R339 PolarHBondContact O-NE 3.42Å; S306-R339 PolarHBondContact OG-NH1 2.03Å | ||
| 307 | S | 54.7 | Low | 67.4 | Low | 123 Ų | 123 | 66.9 Ų | 66.9 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | trans | -76.7 | 1.5 | 174.2 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 308 | K | 64 | Low | 69.2 | Low | 167 Ų | 167 | 60.4 Ų | 60.4 | 73% | 0.726 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -74 | 139 | 179.4 | -66.4 | -174.3 | 178 | -176.3 | 0 | 109.8 | S306 F310 | S306-K308 PolarHBondContact O-N 3.4Å; K308-F310 PolarHBondContact O-N 3.43Å |
| 309 | Q | 72.7 | Confident | 71.2 | Confident | 91 Ų | 91 | 55.7 Ų | 55.7 | 43% | 0.425 | 32% | 0.317 | S | S | . | . | trans | -52.7 | 132.9 | 170.8 | -172.3 | 173.3 | 26.1 | 0 | 0 | 109.6 | I311 T340 S341 R342 | Q309-I311 PolarHBondContact O-N 3.36Å; Q309-T340 CarbonylContact C-O 3.51Å; Q309-T340 WeakPolarHBondContact CA-O 3.39Å; Q309-T340 WeakPolarHBondContact CG-O 3.44Å; Q309-S341 PolarHBondContact NE2-O 3.39Å; Q309-S341 VanDerWaalsContact NE2-O 3.12Å; Q309-R342 HydrophobicContact CG-CB 4.28Å | ||
| 310 | F | 76.3 | Confident | 72.9 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 16% | 0.158 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 103.9 | 178.8 | -178.4 | -97 | 0 | 0 | 0 | 109.8 | K308 H312 L335 R336 R339 T340 S341 R342 | K308-F310 PolarHBondContact O-N 3.43Å; F310-H312 HydrophobicContact CD1-CB 4.41Å; F310-H312 HydrophobicContact CE1-CB 3.85Å; F310-L335 HydrophobicContact CE2-CD1 4.37Å; F310-L335 HydrophobicContact CZ-CB 4.47Å; F310-L335 HydrophobicContact CZ-CD1 4.43Å; F310-R336 HydrophobicContact CD1-CG 3.6Å; F310-R336 HydrophobicContact CE1-CG 3.7Å; F310-R339 HydrophobicContact CB-CB 4.33Å; F310-T340 PolarHBondContact N-O 3.23Å; F310-S341 CarbonylContact O-C 3.52Å; F310-S341 WeakPolarHBondContact O-CA 3.37Å; F310-S341 WeakPolarHBondContact O-CB 3.47Å; F310-R342 PolarHBondContact O-N 3.12Å |
| 311 | I | 74.3 | Confident | 74.6 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 45% | 0.451 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.9 | 176.2 | -60.5 | 173.6 | 0 | 0 | 0 | 108.4 | Q309 R342 T344 | Q309-I311 PolarHBondContact O-N 3.36Å; I311-R342 WeakPolarHBondContact CA-O 3.26Å; I311-T344 HydrophobicContact CG2-CG2 3.94Å; I311-T344 WeakPolarHBondContact CG2-OG1 3.43Å |
| 312 | H | 79.1 | Confident | 76.4 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 158.2 | 171.8 | 78.8 | 94.8 | 0 | 0 | 0 | 111.6 | F310 R336 R342 L343 T344 E381 | F310-H312 HydrophobicContact CD1-CB 4.41Å; F310-H312 HydrophobicContact CE1-CB 3.85Å; H312-R336 PolarHBondContact NE2-NH1 3.21Å; H312-R342 PolarHBondContact N-O 3.27Å; H312-L343 WeakPolarHBondContact O-CA 3.43Å; H312-T344 PolarHBondContact O-N 2.86Å; H312-E381 IonicContact CD2-OE1 3.48Å; H312-E381 PolarHBondContact CD2-OE1 3.31Å; H312-E381 IonicContact NE2-OE1 3.94Å; H312-E381 PolarHBondContact NE2-OE1 3.24Å |
| 313 | H | 79.3 | Confident | 78.1 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | trans | -119.1 | -9.4 | -172.4 | -53.8 | -64.7 | 0 | 0 | 0 | 114.2 | Q284 F315 T344 P346 | Q284-H313 PolarHBondContact NE2-NE2 2.93Å; H313-F315 VanDerWaalsContact O-CD2 3.29Å; H313-F315 WeakPolarHBondContact O-CD2 3.39Å; H313-F315 PolarHBondContact O-N 2.96Å; H313-T344 WeakPolarHBondContact CA-O 3.24Å; H313-T344 PolarHBondContact CE1-OG1 2.96Å; H313-T344 PolarHBondContact ND1-O 2.98Å; H313-T344 VanDerWaalsContact ND1-O 3.1Å; H313-T344 PolarHBondContact ND1-OG1 2.66Å; H313-P346 HydrophobicContact CB-CB 3.82Å; H313-P346 HydrophobicContact CB-CG 4.2Å | ||
| 314 | D | 83.1 | Confident | 79.8 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | trans | -78.8 | 107.9 | -176.6 | -176.5 | 7.8 | 0 | 0 | 0 | 111.6 | G316 R329 | D314-G316 VanDerWaalsContact C-N 3.26Å; D314-G316 PolarHBondContact O-N 3.18Å; D314-G316 WeakPolarHBondContact OD1-CA 3.38Å; D314-G316 PolarHBondContact OD1-N 3.31Å; D314-R329 IonicContact OD1-CZ 3.74Å; D314-R329 IonicContact OD1-NE 3.26Å; D314-R329 PolarHBondContact OD1-NE 2.7Å; D314-R329 IonicContact OD1-NH2 2.97Å; D314-R329 PolarHBondContact OD1-NH2 3.31Å; D314-R329 VanDerWaalsContact OD1-NH2 3.11Å; D314-R329 WeakPolarHBondContact OD2-CG 3.47Å; D314-R329 IonicContact OD2-CZ 2.81Å; D314-R329 IonicContact OD2-NE 3.79Å; D314-R329 PolarHBondContact OD2-NE 3Å; D314-R329 IonicContact OD2-NH2 3.97Å | ||
| 315 | F | 85.1 | Confident | 81.3 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | trans | -75.9 | -9 | 173.2 | -77.6 | -96.8 | 0 | 0 | 0 | 113.7 | G82 C85 H313 L343 M345 C379 N384 R389 | G82-F315 WeakPolarHBondContact O-CD1 3.23Å; C85-F315 WeakPolarHBondContact SG-CE1 3.5Å; H313-F315 VanDerWaalsContact O-CD2 3.29Å; H313-F315 WeakPolarHBondContact O-CD2 3.39Å; H313-F315 PolarHBondContact O-N 2.96Å; F315-L343 HydrophobicContact CD1-CD2 3.99Å; F315-L343 HydrophobicContact CD2-CD1 4.15Å; F315-L343 HydrophobicContact CE1-CD1 4.25Å; F315-L343 HydrophobicContact CE1-CD2 3.59Å; F315-L343 HydrophobicContact CE1-CG 4.05Å; F315-L343 HydrophobicContact CE2-CD1 3.87Å; F315-L343 HydrophobicContact CE2-CG 4.33Å; F315-L343 HydrophobicContact CG-CD1 4.44Å; F315-L343 HydrophobicContact CZ-CD1 3.93Å; F315-L343 HydrophobicContact CZ-CD2 3.97Å; F315-L343 HydrophobicContact CZ-CG 3.87Å; F315-M345 HydrophobicContact CE2-CG 4.18Å; F315-M345 HydrophobicContact CZ-CG 3.94Å; F315-C379 HydrophobicContact CE1-CB 4Å; F315-C379 HydrophobicContact CZ-CB 4.02Å; F315-C379 VanDerWaalsContact CZ-SG 3.6Å; F315-N384 WeakPolarHBondContact CD1-ND2 3.47Å; F315-N384 PolarHBondContact O-ND2 3.1Å; F315-R389 PolarHBondContact O-NH2 3.45Å | ||
| 316 | G | 85.9 | Confident | 82.8 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 77.3 | 20.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D314 R320 | D314-G316 VanDerWaalsContact C-N 3.26Å; D314-G316 PolarHBondContact O-N 3.18Å; D314-G316 WeakPolarHBondContact OD1-CA 3.38Å; D314-G316 PolarHBondContact OD1-N 3.31Å; G316-R320 PolarHBondContact O-NH1 3.29Å |
| 317 | N | 89.6 | Confident | 84.3 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 13% | 0.134 | 29% | 0.292 | C | S | . | . | trans | -89.7 | -49.3 | -176 | -65.4 | -24.6 | 0 | 0 | 0 | 112.6 | G82 L204 Y207 R389 | G82-N317 PolarHBondContact O-ND2 3.17Å; L204-N317 HydrophobicContact CD2-CB 4.16Å; Y207-N317 WeakPolarHBondContact CD1-O 3.29Å; Y207-N317 WeakPolarHBondContact CE1-O 3.34Å; N317-R389 PolarHBondContact OD1-NE 3.35Å; N317-R389 PolarHBondContact OD1-NH2 2.71Å | ||
| 318 | L | 93.1 | Very high | 85.8 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 140.4 | -177 | -68 | 173 | 0 | 0 | 0 | 112.9 | N210 D211 L214 Y263 R320 R329 | N210-L318 VanDerWaalsContact ND2-CD2 3.31Å; N210-L318 WeakPolarHBondContact ND2-CD2 3.38Å; D211-L318 WeakPolarHBondContact OD1-CA 3.3Å; L214-L318 HydrophobicContact CD2-CD1 3.86Å; L214-L318 HydrophobicContact CD2-CD2 3.96Å; Y263-L318 HydrophobicContact CE2-CD1 3.65Å; L318-R320 PolarHBondContact O-N 3.14Å; L318-R320 VanDerWaalsContact O-N 3.1Å; L318-R329 PolarHBondContact O-NH1 2.73Å; L318-R329 PolarHBondContact O-NH2 3.27Å |
| 319 | F | 95.2 | Very high | 87 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 41.2 | 175.7 | -56.6 | -69.9 | 0 | 0 | 0 | 112.4 | D211 L214 L215 T248 V259 Y263 D321 N322 M325 | D211-F319 HydrophobicContact CB-CD1 3.89Å; D211-F319 HydrophobicContact CB-CE1 3.78Å; D211-F319 VanDerWaalsContact CG-N 3.28Å; D211-F319 VanDerWaalsContact O-CE1 3.27Å; D211-F319 WeakPolarHBondContact O-CE1 3.24Å; D211-F319 WeakPolarHBondContact O-CZ 3.27Å; D211-F319 PolarHBondContact OD1-N 3.21Å; D211-F319 VanDerWaalsContact OD2-CA 3.27Å; D211-F319 WeakPolarHBondContact OD2-CA 3.5Å; D211-F319 PolarHBondContact OD2-N 2.94Å; D211-F319 VanDerWaalsContact OD2-N 3.17Å; L214-F319 HydrophobicContact CD2-CE2 3.88Å; L214-F319 HydrophobicContact CD2-CZ 4.17Å; L215-F319 HydrophobicContact CD1-CE1 4.14Å; L215-F319 HydrophobicContact CD2-CE1 4.31Å; L215-F319 HydrophobicContact CD2-CZ 3.96Å; L215-F319 HydrophobicContact CG-CE1 4.13Å; L215-F319 HydrophobicContact CG-CZ 4.02Å; T248-F319 HydrophobicContact CG2-CD1 3.99Å; T248-F319 HydrophobicContact CG2-CE1 4.1Å; V259-F319 HydrophobicContact CG1-CD1 3.55Å; V259-F319 HydrophobicContact CG1-CE1 3.59Å; V259-F319 HydrophobicContact CG1-CG 4.26Å; V259-F319 HydrophobicContact CG1-CZ 4.34Å; Y263-F319 HydrophobicContact CD1-CD2 4.29Å; Y263-F319 AromaticContact CD2-CD2 3.9Å; Y263-F319 HydrophobicContact CD2-CD2 3.9Å; Y263-F319 AromaticContact CD2-CE2 3.43Å; Y263-F319 HydrophobicContact CD2-CE2 3.43Å; Y263-F319 VanDerWaalsContact CD2-CE2 3.43Å; Y263-F319 HydrophobicContact CE2-CD2 4.36Å; Y263-F319 HydrophobicContact CE2-CE2 4.09Å; Y263-F319 AromaticContact CG-CD2 3.83Å; Y263-F319 HydrophobicContact CG-CD2 3.83Å; Y263-F319 AromaticContact CG-CE2 3.68Å; Y263-F319 HydrophobicContact CG-CE2 3.68Å; F319-D321 PolarHBondContact O-N 2.8Å; F319-D321 VanDerWaalsContact O-N 3.12Å; F319-N322 HydrophobicContact CB-CB 4.09Å; F319-N322 WeakPolarHBondContact O-CB 3.3Å; F319-N322 PolarHBondContact O-N 2.87Å; F319-N322 VanDerWaalsContact O-N 3.1Å; F319-M325 HydrophobicContact CB-CG 4.02Å |
| 320 | R | 92.4 | Very high | 87.6 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31 | -171.4 | -170.1 | 174.2 | 175.3 | 82.2 | 0.1 | 112.7 | G316 L318 K326 | G316-R320 PolarHBondContact O-NH1 3.29Å; L318-R320 PolarHBondContact O-N 3.14Å; L318-R320 VanDerWaalsContact O-N 3.1Å; R320-K326 WeakPolarHBondContact O-CE 3.29Å; R320-K326 WeakPolarHBondContact O-CG 3.35Å |
| 321 | D | 92.7 | Very high | 88 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -13.3 | -179.3 | -79.6 | -30.3 | 0 | 0 | 0 | 116.3 | F319 I323 K326 R392 | F319-D321 PolarHBondContact O-N 2.8Å; F319-D321 VanDerWaalsContact O-N 3.12Å; D321-I323 PolarHBondContact O-N 3.27Å; D321-K326 IonicContact OD1-NZ 3.31Å; D321-K326 PolarHBondContact OD1-NZ 2.83Å; D321-R392 IonicContact OD1-NH1 3.76Å; D321-R392 IonicContact OD2-CZ 3.8Å; D321-R392 IonicContact OD2-NH1 3.96Å; D321-R392 PolarHBondContact OD2-NH1 3.45Å; D321-R392 IonicContact OD2-NH2 3.95Å; D321-R392 PolarHBondContact OD2-NH2 3.47Å |
| 322 | N | 94.9 | Very high | 88.3 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | trans | -64.4 | 125.6 | 179.6 | -175.1 | -60 | 0 | 0 | 0 | 110.6 | Q256 F319 Y324 M325 K326 | Q256-N322 PolarHBondContact O-ND2 3.29Å; F319-N322 HydrophobicContact CB-CB 4.09Å; F319-N322 WeakPolarHBondContact O-CB 3.3Å; F319-N322 PolarHBondContact O-N 2.87Å; F319-N322 VanDerWaalsContact O-N 3.1Å; N322-Y324 VanDerWaalsContact C-N 3.3Å; N322-Y324 PolarHBondContact O-N 2.62Å; N322-Y324 WeakPolarHBondContact OD1-CB 3.31Å; N322-Y324 PolarHBondContact OD1-N 2.89Å; N322-M325 HydrophobicContact CB-CB 4.06Å; N322-M325 HydrophobicContact CB-CG 3.79Å; N322-M325 PolarHBondContact O-N 3.42Å; N322-M325 PolarHBondContact OD1-N 2.81Å; N322-K326 PolarHBondContact O-N 2.92Å | ||
| 323 | I | 94 | Very high | 88.5 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 43% | 0.426 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -36.4 | -174.4 | -164.2 | 170.2 | 0 | 0 | 0 | 113.1 | L253 Q256 D321 K326 Y327 | L253-I323 HydrophobicContact CD2-CG2 4.21Å; Q256-I323 HydrophobicContact CB-CG2 4.42Å; Q256-I323 VanDerWaalsContact OE1-CG2 3.27Å; D321-I323 PolarHBondContact O-N 3.27Å; I323-K326 PolarHBondContact O-N 2.88Å; I323-Y327 WeakPolarHBondContact O-CB 3.27Å; I323-Y327 PolarHBondContact O-N 2.91Å |
| 324 | Y | 92.8 | Very high | 88.6 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 35% | 0.345 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 179.5 | -61.7 | -83.7 | 0 | 0 | 0 | 111 | Q256 R257 N322 Y327 R328 | Q256-Y324 HydrophobicContact CB-CD2 4.08Å; Q256-Y324 HydrophobicContact CB-CE2 3.99Å; R257-Y324 HydrophobicContact CB-CD2 4.27Å; R257-Y324 HydrophobicContact CB-CE2 3.57Å; R257-Y324 HydrophobicContact CG-CE2 4.39Å; N322-Y324 VanDerWaalsContact C-N 3.3Å; N322-Y324 PolarHBondContact O-N 2.62Å; N322-Y324 WeakPolarHBondContact OD1-CB 3.31Å; N322-Y324 PolarHBondContact OD1-N 2.89Å; Y324-Y327 PolarHBondContact O-N 2.64Å; Y324-R328 PolarHBondContact O-N 2.76Å |
| 325 | M | 90.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 174.3 | -60.9 | -60 | -70.6 | 0 | 0 | 111.6 | Y263 F319 N322 Y327 R328 R329 | Y263-M325 HydrophobicContact CD1-CE 3.69Å; Y263-M325 HydrophobicContact CD1-SD 4.22Å; Y263-M325 HydrophobicContact CE1-CE 3.58Å; F319-M325 HydrophobicContact CB-CG 4.02Å; N322-M325 HydrophobicContact CB-CB 4.06Å; N322-M325 HydrophobicContact CB-CG 3.79Å; N322-M325 PolarHBondContact O-N 3.42Å; N322-M325 PolarHBondContact OD1-N 2.81Å; M325-Y327 PolarHBondContact O-N 2.68Å; M325-R328 PolarHBondContact O-N 3.37Å; M325-R329 WeakPolarHBondContact O-CB 3.41Å; M325-R329 WeakPolarHBondContact O-CG 3.46Å; M325-R329 PolarHBondContact O-N 3.48Å |
| 326 | K | 90.7 | Very high | 87.9 | Confident | 99 Ų | 99 | 55.4 Ų | 55.4 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 173.8 | -75.1 | -179.2 | 178.5 | 164.8 | 0 | 111.5 | R320 D321 N322 I323 R329 Y330 | R320-K326 WeakPolarHBondContact O-CE 3.29Å; R320-K326 WeakPolarHBondContact O-CG 3.35Å; D321-K326 IonicContact OD1-NZ 3.31Å; D321-K326 PolarHBondContact OD1-NZ 2.83Å; N322-K326 PolarHBondContact O-N 2.92Å; I323-K326 PolarHBondContact O-N 2.88Å; K326-R329 PolarHBondContact O-N 2.75Å; K326-Y330 WeakPolarHBondContact O-CB 3.27Å; K326-Y330 PolarHBondContact O-N 3.05Å |
| 327 | Y | 89.1 | Confident | 87.3 | Confident | 136 Ų | 136 | 62.8 Ų | 62.8 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 178.3 | 179.9 | -98.7 | 0 | 0 | 0 | 112 | I323 Y324 M325 R329 Y330 A331 | I323-Y327 WeakPolarHBondContact O-CB 3.27Å; I323-Y327 PolarHBondContact O-N 2.91Å; Y324-Y327 PolarHBondContact O-N 2.64Å; M325-Y327 PolarHBondContact O-N 2.68Å; Y327-R329 PolarHBondContact O-N 3.35Å; Y327-Y330 PolarHBondContact O-N 2.79Å; Y327-A331 PolarHBondContact O-N 3.41Å |
| 328 | R | 87.5 | Confident | 86.3 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.1 | -178.4 | 176.3 | 175.8 | 158.8 | -5.9 | 112 | E264 Y324 M325 Y330 A331 N332 | E264-R328 IonicContact OE1-CZ 3.57Å; E264-R328 IonicContact OE1-NE 2.82Å; E264-R328 IonicContact OE1-NH1 2.88Å; E264-R328 PolarHBondContact OE1-NH1 2.88Å; E264-R328 IonicContact OE2-CZ 2.64Å; E264-R328 IonicContact OE2-NH1 3.63Å; E264-R328 PolarHBondContact OE2-NH1 2.93Å; E264-R328 IonicContact OE2-NH2 2.68Å; Y324-R328 PolarHBondContact O-N 2.76Å; M325-R328 PolarHBondContact O-N 3.37Å; R328-Y330 VanDerWaalsContact C-N 3.31Å; R328-Y330 PolarHBondContact O-N 2.75Å; R328-A331 PolarHBondContact O-N 3.47Å; R328-N332 WeakPolarHBondContact O-CB 3.47Å; R328-N332 PolarHBondContact O-N 2.94Å |
| 329 | R | 87.5 | Confident | 85.2 | Confident | 36 Ų | 36 | 69 Ų | 69 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 175.9 | -76.1 | 166.4 | 178.9 | 146.3 | -1.5 | 112.1 | D314 L318 M325 K326 Y327 N332 S333 | D314-R329 IonicContact OD1-CZ 3.74Å; D314-R329 IonicContact OD1-NE 3.26Å; D314-R329 PolarHBondContact OD1-NE 2.7Å; D314-R329 IonicContact OD1-NH2 2.97Å; D314-R329 PolarHBondContact OD1-NH2 3.31Å; D314-R329 VanDerWaalsContact OD1-NH2 3.11Å; D314-R329 WeakPolarHBondContact OD2-CG 3.47Å; D314-R329 IonicContact OD2-CZ 2.81Å; D314-R329 IonicContact OD2-NE 3.79Å; D314-R329 PolarHBondContact OD2-NE 3Å; D314-R329 IonicContact OD2-NH2 3.97Å; L318-R329 PolarHBondContact O-NH1 2.73Å; L318-R329 PolarHBondContact O-NH2 3.27Å; M325-R329 WeakPolarHBondContact O-CB 3.41Å; M325-R329 WeakPolarHBondContact O-CG 3.46Å; M325-R329 PolarHBondContact O-N 3.48Å; K326-R329 PolarHBondContact O-N 2.75Å; Y327-R329 PolarHBondContact O-N 3.35Å; R329-N332 PolarHBondContact O-N 3.17Å; R329-S333 PolarHBondContact O-N 3.12Å |
| 330 | Y | 85.8 | Confident | 84.5 | Confident | 144 Ų | 144 | 73.3 Ų | 73.3 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.8 | -48 | 174.8 | -179.7 | -106.1 | 0 | 0 | 0 | 111.6 | K326 Y327 R328 N332 S333 L334 | K326-Y330 WeakPolarHBondContact O-CB 3.27Å; K326-Y330 PolarHBondContact O-N 3.05Å; Y327-Y330 PolarHBondContact O-N 2.79Å; R328-Y330 VanDerWaalsContact C-N 3.31Å; R328-Y330 PolarHBondContact O-N 2.75Å; Y330-N332 VanDerWaalsContact C-N 3.31Å; Y330-N332 PolarHBondContact O-N 3.03Å; Y330-S333 WeakPolarHBondContact O-CB 3.35Å; Y330-S333 PolarHBondContact O-N 3.2Å; Y330-S333 PolarHBondContact O-OG 2.95Å; Y330-L334 HydrophobicContact CD1-CD1 4.26Å; Y330-L334 HydrophobicContact CE1-CD1 3.74Å; Y330-L334 HydrophobicContact CE1-CG 4.31Å; Y330-L334 PolarHBondContact O-N 3.31Å; Y330-L334 VanDerWaalsContact O-N 3.11Å |
| 331 | A | 84.3 | Confident | 84 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 20% | 0.198 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y327 R328 S333 L334 L335 | Y327-A331 PolarHBondContact O-N 3.41Å; R328-A331 PolarHBondContact O-N 3.47Å; A331-S333 VanDerWaalsContact C-N 3.34Å; A331-S333 PolarHBondContact O-N 3.48Å; A331-L334 PolarHBondContact O-N 3.05Å; A331-L335 PolarHBondContact O-N 2.81Å |
| 332 | N | 81.6 | Confident | 83.6 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 173.9 | -74.3 | -14.2 | 0 | 0 | 0 | 112.1 | R328 R329 Y330 L334 L335 R336 | R328-N332 WeakPolarHBondContact O-CB 3.47Å; R328-N332 PolarHBondContact O-N 2.94Å; R329-N332 PolarHBondContact O-N 3.17Å; Y330-N332 VanDerWaalsContact C-N 3.31Å; Y330-N332 PolarHBondContact O-N 3.03Å; N332-L334 VanDerWaalsContact C-N 3.31Å; N332-L334 PolarHBondContact O-N 2.8Å; N332-L335 WeakPolarHBondContact O-CB 3.48Å; N332-L335 PolarHBondContact O-N 2.86Å; N332-R336 WeakPolarHBondContact O-CG 3.26Å; N332-R336 PolarHBondContact O-N 2.98Å |
| 333 | S | 82.4 | Confident | 83.3 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 174.6 | 74.5 | 0 | 0 | 0 | 0 | 113.4 | R329 Y330 A331 L335 R336 H337 | R329-S333 PolarHBondContact O-N 3.12Å; Y330-S333 WeakPolarHBondContact O-CB 3.35Å; Y330-S333 PolarHBondContact O-N 3.2Å; Y330-S333 PolarHBondContact O-OG 2.95Å; A331-S333 VanDerWaalsContact C-N 3.34Å; A331-S333 PolarHBondContact O-N 3.48Å; S333-L335 VanDerWaalsContact C-N 3.34Å; S333-R336 PolarHBondContact O-N 3.3Å; S333-H337 PolarHBondContact O-N 2.84Å |
| 334 | L | 82.2 | Confident | 82.9 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 175.7 | -64.8 | 174.9 | 0 | 0 | 0 | 111.9 | Y330 A331 N332 R336 | Y330-L334 HydrophobicContact CD1-CD1 4.26Å; Y330-L334 HydrophobicContact CE1-CD1 3.74Å; Y330-L334 HydrophobicContact CE1-CG 4.31Å; Y330-L334 PolarHBondContact O-N 3.31Å; Y330-L334 VanDerWaalsContact O-N 3.11Å; A331-L334 PolarHBondContact O-N 3.05Å; N332-L334 VanDerWaalsContact C-N 3.31Å; N332-L334 PolarHBondContact O-N 2.8Å; L334-R336 VanDerWaalsContact C-N 3.34Å |
| 335 | L | 76.1 | Confident | 82.7 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 174.1 | -68.5 | 174.5 | 0 | 0 | 0 | 112.1 | M295 L300 I303 F310 A331 N332 S333 | M295-L335 HydrophobicContact CE-CD1 4.04Å; M295-L335 HydrophobicContact CE-CD2 4.24Å; M295-L335 HydrophobicContact CE-CG 4.39Å; M295-L335 HydrophobicContact SD-CD1 4.45Å; L300-L335 HydrophobicContact CD2-CD2 3.98Å; I303-L335 HydrophobicContact CG2-CD2 4.08Å; F310-L335 HydrophobicContact CE2-CD1 4.37Å; F310-L335 HydrophobicContact CZ-CB 4.47Å; F310-L335 HydrophobicContact CZ-CD1 4.43Å; A331-L335 PolarHBondContact O-N 2.81Å; N332-L335 WeakPolarHBondContact O-CB 3.48Å; N332-L335 PolarHBondContact O-N 2.86Å; S333-L335 VanDerWaalsContact C-N 3.34Å |
| 336 | R | 78.2 | Confident | 82.4 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 15% | 0.151 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -42 | 178.7 | -71.8 | -175.8 | -73 | 163 | 4.9 | 112.9 | F310 H312 N332 S333 L334 N338 R339 E381 T385 | F310-R336 HydrophobicContact CD1-CG 3.6Å; F310-R336 HydrophobicContact CE1-CG 3.7Å; H312-R336 PolarHBondContact NE2-NH1 3.21Å; N332-R336 WeakPolarHBondContact O-CG 3.26Å; N332-R336 PolarHBondContact O-N 2.98Å; S333-R336 PolarHBondContact O-N 3.3Å; L334-R336 VanDerWaalsContact C-N 3.34Å; R336-N338 PolarHBondContact O-N 3.2Å; R336-R339 PolarHBondContact O-N 2.74Å; R336-E381 WeakPolarHBondContact CD-OE1 3.46Å; R336-E381 IonicContact NH1-OE1 3.72Å; R336-E381 PolarHBondContact NH1-OE1 2.89Å; R336-T385 PolarHBondContact NH1-OG1 2.77Å; R336-T385 VanDerWaalsContact NH1-OG1 3.13Å |
| 337 | H | 72.6 | Confident | 82.3 | Confident | 163 Ų | 163 | 58 Ų | 58 | 76% | 0.755 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.6 | -24.4 | -175.5 | -166.1 | -66.1 | 0 | 0 | 0 | 113.6 | S333 | S333-H337 PolarHBondContact O-N 2.84Å |
| 338 | N | 67.9 | Low | 82.3 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 65% | 0.647 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 10.2 | -179.6 | -68.7 | -27.8 | 0 | 0 | 0 | 113.9 | L304 R336 | L304-N338 HydrophobicContact CD2-CB 4.48Å; R336-N338 PolarHBondContact O-N 3.2Å |
| 339 | R | 71.5 | Confident | 82.4 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -141.2 | 161 | -175.9 | -74.8 | -164.5 | 167.1 | 137.9 | 85.7 | 112.7 | I303 L304 S306 F310 R336 S341 | I303-R339 PolarHBondContact O-NH1 2.7Å; I303-R339 PolarHBondContact O-NH2 3.48Å; L304-R339 VanDerWaalsContact CA-NH2 3.28Å; L304-R339 VanDerWaalsContact N-NH2 3.2Å; S306-R339 PolarHBondContact O-NE 3.42Å; S306-R339 PolarHBondContact OG-NH1 2.03Å; F310-R339 HydrophobicContact CB-CB 4.33Å; R336-R339 PolarHBondContact O-N 2.74Å; R339-S341 PolarHBondContact O-N 3.12Å |
| 340 | T | 79.2 | Confident | 82.4 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 58% | 0.583 | 27% | 0.273 | S | S | * | . | trans | -67 | 125.3 | 155.4 | 51.1 | 0 | 0 | 0 | 0 | 107.7 | Q309 F310 | Q309-T340 CarbonylContact C-O 3.51Å; Q309-T340 WeakPolarHBondContact CA-O 3.39Å; Q309-T340 WeakPolarHBondContact CG-O 3.44Å; F310-T340 PolarHBondContact N-O 3.23Å | ||
| 341 | S | 82.9 | Confident | 82.6 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 165 | 176.2 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | Q309 F310 R339 E381 | Q309-S341 PolarHBondContact NE2-O 3.39Å; Q309-S341 VanDerWaalsContact NE2-O 3.12Å; F310-S341 CarbonylContact O-C 3.52Å; F310-S341 WeakPolarHBondContact O-CA 3.37Å; F310-S341 WeakPolarHBondContact O-CB 3.47Å; R339-S341 PolarHBondContact O-N 3.12Å; S341-E381 VanDerWaalsContact C-OE2 3.23Å; S341-E381 WeakPolarHBondContact CB-OE1 3.32Å; S341-E381 VanDerWaalsContact CB-OE2 3.23Å; S341-E381 WeakPolarHBondContact CB-OE2 3.23Å; S341-E381 PolarHBondContact OG-OE1 3.41Å; S341-E381 PolarHBondContact OG-OE2 2.92Å |
| 342 | R | 84.5 | Confident | 83 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 134.4 | 173.6 | -170 | 175.6 | 174.4 | -174.4 | -2.6 | 108.9 | Q309 F310 I311 H312 T344 D377 | Q309-R342 HydrophobicContact CG-CB 4.28Å; F310-R342 PolarHBondContact O-N 3.12Å; I311-R342 WeakPolarHBondContact CA-O 3.26Å; H312-R342 PolarHBondContact N-O 3.27Å; R342-T344 HydrophobicContact CG-CG2 4.02Å; R342-D377 WeakPolarHBondContact CD-OD2 3.25Å; R342-D377 WeakPolarHBondContact CG-OD2 3.33Å; R342-D377 IonicContact CZ-OD1 3.81Å; R342-D377 IonicContact CZ-OD2 3.5Å; R342-D377 VanDerWaalsContact NE-CG 3.34Å; R342-D377 IonicContact NE-OD1 2.64Å; R342-D377 PolarHBondContact NE-OD1 3.12Å; R342-D377 IonicContact NE-OD2 3.72Å; R342-D377 PolarHBondContact NE-OD2 3.05Å; R342-D377 IonicContact NH2-OD1 2.71Å; R342-D377 PolarHBondContact NH2-OD1 3.15Å; R342-D377 IonicContact NH2-OD2 3.71Å |
| 343 | L | 87.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.5 | 169.7 | 173.8 | 63.4 | 0 | 0 | 0 | 108.2 | H312 F315 C379 E381 N384 | H312-L343 WeakPolarHBondContact O-CA 3.43Å; F315-L343 HydrophobicContact CD1-CD2 3.99Å; F315-L343 HydrophobicContact CD2-CD1 4.15Å; F315-L343 HydrophobicContact CE1-CD1 4.25Å; F315-L343 HydrophobicContact CE1-CD2 3.59Å; F315-L343 HydrophobicContact CE1-CG 4.05Å; F315-L343 HydrophobicContact CE2-CD1 3.87Å; F315-L343 HydrophobicContact CE2-CG 4.33Å; F315-L343 HydrophobicContact CG-CD1 4.44Å; F315-L343 HydrophobicContact CZ-CD1 3.93Å; F315-L343 HydrophobicContact CZ-CD2 3.97Å; F315-L343 HydrophobicContact CZ-CG 3.87Å; L343-C379 HydrophobicContact CD2-CB 4.18Å; L343-C379 HydrophobicContact CG-CB 4.3Å; L343-E381 HydrophobicContact CB-CB 3.76Å; L343-E381 HydrophobicContact CB-CG 4.19Å; L343-N384 HydrophobicContact CD2-CB 3.47Å; L343-N384 VanDerWaalsContact CD2-CB 3.47Å |
| 344 | T | 86.1 | Confident | 84.2 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | trans | -128.2 | 148.7 | 172.7 | 70.3 | 0 | 0 | 0 | 0 | 110 | I311 H312 H313 R342 | I311-T344 HydrophobicContact CG2-CG2 3.94Å; I311-T344 WeakPolarHBondContact CG2-OG1 3.43Å; H312-T344 PolarHBondContact O-N 2.86Å; H313-T344 WeakPolarHBondContact CA-O 3.24Å; H313-T344 PolarHBondContact CE1-OG1 2.96Å; H313-T344 PolarHBondContact ND1-O 2.98Å; H313-T344 VanDerWaalsContact ND1-O 3.1Å; H313-T344 PolarHBondContact ND1-OG1 2.66Å; R342-T344 HydrophobicContact CG-CG2 4.02Å | ||
| 345 | M | 88.4 | Confident | 84.7 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | trans | -58.4 | 129.9 | 173.3 | -75.5 | 171 | 69.1 | 0 | 0 | 110.3 | E89 Y273 F315 E348 V378 M478 | E89-M345 WeakPolarHBondContact OE1-CE 3.44Å; E89-M345 VanDerWaalsContact OE1-SD 3.41Å; E89-M345 VanDerWaalsContact OE2-SD 3.37Å; Y273-M345 HydrophobicContact CD2-CE 4.43Å; Y273-M345 HydrophobicContact CE2-CB 4.04Å; Y273-M345 HydrophobicContact CE2-CE 3.93Å; Y273-M345 HydrophobicContact CE2-CG 4.5Å; F315-M345 HydrophobicContact CE2-CG 4.18Å; F315-M345 HydrophobicContact CZ-CG 3.94Å; M345-E348 HydrophobicContact CB-CB 3.95Å; M345-E348 HydrophobicContact CB-CG 4.1Å; M345-E348 HydrophobicContact CE-CG 4.23Å; M345-V378 HydrophobicContact SD-CG1 3.95Å; M345-M478 HydrophobicContact CE-SD 4.15Å | ||
| 346 | P | 83.6 | Confident | 85.7 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 139.3 | 174.6 | 16.7 | -25.5 | 0 | 0 | 0 | 110.8 | E272 Y273 H313 E348 | E272-P346 HydrophobicContact CG-CB 4.44Å; E272-P346 HydrophobicContact CG-CG 3.91Å; E272-P346 WeakPolarHBondContact OE1-CG 3.16Å; Y273-P346 WeakPolarHBondContact CD2-O 3.45Å; Y273-P346 HydrophobicContact CE2-CG 3.72Å; Y273-P346 VanDerWaalsContact CE2-O 3.25Å; Y273-P346 WeakPolarHBondContact CE2-O 3.44Å; Y273-P346 WeakPolarHBondContact OH-CD 3.01Å; H313-P346 HydrophobicContact CB-CB 3.82Å; H313-P346 HydrophobicContact CB-CG 4.2Å; P346-E348 PolarHBondContact O-N 2.84Å |
| 347 | C | 89.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 12.2 | 173.2 | -62 | 0 | 0 | 0 | 0 | 116.8 | L270 N271 C279 A280 | L270-C347 PolarHBondContact O-SG 2.76Å; N271-C347 VanDerWaalsContact CA-SG 3.57Å; N271-C347 HydrophobicContact CB-CB 3.8Å; C279-C347 HydrophobicContact CB-CB 3.72Å; C279-C347 WeakPolarHBondContact CB-SG 3.24Å; C279-C347 WeakPolarHBondContact SG-CA 3.32Å; C279-C347 WeakPolarHBondContact SG-CB 3.45Å; C279-C347 CovalentContact SG-SG 2.04Å; C279-C347 PolarHBondContact SG-SG 3.48Å; A280-C347 WeakPolarHBondContact CB-O 3.28Å; A280-C347 PolarHBondContact N-O 2.05Å |
| 348 | E | 89.6 | Confident | 87.6 | Confident | 46 Ų | 46 | 41.6 Ų | 41.6 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | trans | -110.9 | 134.3 | 177.6 | -69.9 | -61.2 | 134.6 | 0 | 0 | 111.5 | Y273 M345 P346 S350 M478 R481 | Y273-E348 HydrophobicContact CD2-CG 3.96Å; Y273-E348 HydrophobicContact CE2-CG 4.26Å; M345-E348 HydrophobicContact CB-CB 3.95Å; M345-E348 HydrophobicContact CB-CG 4.1Å; M345-E348 HydrophobicContact CE-CG 4.23Å; P346-E348 PolarHBondContact O-N 2.84Å; E348-S350 PolarHBondContact O-N 3.19Å; E348-M478 HydrophobicContact CG-CE 4.37Å; E348-M478 WeakPolarHBondContact OE1-CE 3.49Å; E348-R481 IonicContact OE1-NH1 3.34Å; E348-R481 IonicContact OE2-CZ 2.8Å; E348-R481 IonicContact OE2-NH1 3.27Å; E348-R481 PolarHBondContact OE2-NH1 2.95Å | ||
| 349 | D | 88.2 | Confident | 88.9 | Confident | 110 Ų | 110 | 37.5 Ų | 37.5 | 59% | 0.588 | 21% | 0.209 | S | C | * | . | trans | -91.7 | 92.2 | 171.9 | -174.6 | 4.1 | 0 | 0 | 0 | 110.8 | A280 T351 | A280-D349 HydrophobicContact CB-CB 4.06Å; D349-T351 VanDerWaalsContact C-N 3.26Å; D349-T351 PolarHBondContact O-N 3.42Å; D349-T351 WeakPolarHBondContact OD1-CB 3.42Å; D349-T351 PolarHBondContact OD1-N 3.39Å; D349-T351 PolarHBondContact OD1-OG1 3.1Å | ||
| 350 | S | 89.6 | Confident | 89.9 | Confident | 21 Ų | 21 | 40 Ų | 40 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.3 | 177.1 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | E348 L352 I353 Y354 | E348-S350 PolarHBondContact O-N 3.19Å; S350-L352 PolarHBondContact O-N 2.87Å; S350-I353 VanDerWaalsContact O-CG2 3.26Å; S350-I353 WeakPolarHBondContact O-CG2 3.03Å; S350-Y354 WeakPolarHBondContact O-CB 3.03Å; S350-Y354 PolarHBondContact O-N 3.31Å |
| 351 | T | 89.8 | Confident | 90.6 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 52% | 0.515 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.1 | -37.8 | -174.1 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | D349 S355 | D349-T351 VanDerWaalsContact C-N 3.26Å; D349-T351 PolarHBondContact O-N 3.42Å; D349-T351 WeakPolarHBondContact OD1-CB 3.42Å; D349-T351 PolarHBondContact OD1-N 3.39Å; D349-T351 PolarHBondContact OD1-OG1 3.1Å; T351-S355 VanDerWaalsContact O-CB 3.26Å; T351-S355 WeakPolarHBondContact O-CB 3.43Å; T351-S355 PolarHBondContact O-N 3.44Å; T351-S355 PolarHBondContact O-OG 3.16Å |
| 352 | L | 92 | Very high | 91.2 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.2 | -54.4 | -176.6 | -167.5 | 62 | 0 | 0 | 0 | 112.1 | L100 G103 S350 Y354 S355 Y356 | L100-L352 HydrophobicContact CB-CD2 3.87Å; L100-L352 HydrophobicContact CB-CG 4.29Å; G103-L352 WeakPolarHBondContact O-CD1 3.24Å; S350-L352 PolarHBondContact O-N 2.87Å; L352-Y354 VanDerWaalsContact C-N 3.35Å; L352-Y354 PolarHBondContact O-N 2.92Å; L352-S355 PolarHBondContact O-N 3.32Å; L352-Y356 WeakPolarHBondContact O-CB 3.45Å; L352-Y356 PolarHBondContact O-N 2.95Å |
| 353 | I | 94.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 178.6 | -172.3 | 170.7 | 0 | 0 | 0 | 111.2 | E89 L92 T93 L100 S350 S355 Y356 L357 W376 V378 | E89-I353 HydrophobicContact CB-CD1 4.48Å; L92-I353 HydrophobicContact CB-CD1 4.07Å; L92-I353 HydrophobicContact CD1-CD1 4.03Å; L92-I353 HydrophobicContact CD1-CG1 4Å; T93-I353 HydrophobicContact CG2-CD1 4.26Å; L100-I353 HydrophobicContact CD1-CB 3.99Å; L100-I353 HydrophobicContact CD1-CG1 4.12Å; S350-I353 VanDerWaalsContact O-CG2 3.26Å; S350-I353 WeakPolarHBondContact O-CG2 3.03Å; I353-S355 PolarHBondContact O-N 3.24Å; I353-Y356 PolarHBondContact O-N 2.88Å; I353-L357 HydrophobicContact CD1-CD1 4.24Å; I353-L357 HydrophobicContact CG1-CD1 3.77Å; I353-L357 HydrophobicContact CG1-CG 4.29Å; I353-L357 WeakPolarHBondContact O-CB 3.4Å; I353-L357 PolarHBondContact O-N 3.15Å; I353-W376 HydrophobicContact CB-CH2 4.48Å; I353-W376 HydrophobicContact CB-CZ3 4.5Å; I353-W376 HydrophobicContact CD1-CH2 3.66Å; I353-W376 HydrophobicContact CD1-CZ2 4.26Å; I353-W376 HydrophobicContact CD1-CZ3 4.46Å; I353-W376 HydrophobicContact CG1-CH2 3.63Å; I353-W376 HydrophobicContact CG1-CZ2 4.43Å; I353-W376 HydrophobicContact CG1-CZ3 3.95Å; I353-W376 HydrophobicContact CG2-CH2 4.16Å; I353-W376 HydrophobicContact CG2-CZ3 4.13Å; I353-V378 HydrophobicContact CG2-CG2 3.97Å |
| 354 | Y | 93.9 | Very high | 92 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 22% | 0.216 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 175.2 | 172.9 | -90.9 | 0 | 0 | 0 | 111.7 | S350 L352 N358 E375 W376 | S350-Y354 WeakPolarHBondContact O-CB 3.03Å; S350-Y354 PolarHBondContact O-N 3.31Å; L352-Y354 VanDerWaalsContact C-N 3.35Å; L352-Y354 PolarHBondContact O-N 2.92Å; Y354-N358 WeakPolarHBondContact CD2-ND2 3.11Å; Y354-N358 VanDerWaalsContact CE2-ND2 3.26Å; Y354-N358 WeakPolarHBondContact CE2-ND2 3.14Å; Y354-N358 VanDerWaalsContact O-CB 3.29Å; Y354-N358 WeakPolarHBondContact O-CB 3.19Å; Y354-N358 PolarHBondContact O-N 3.33Å; Y354-N358 VanDerWaalsContact O-N 3.08Å; Y354-N358 PolarHBondContact O-ND2 3.29Å; Y354-E375 HydrophobicContact CE2-CG 3.95Å; Y354-E375 VanDerWaalsContact CE2-OE1 3.24Å; Y354-E375 WeakPolarHBondContact CE2-OE1 3.41Å; Y354-E375 PolarHBondContact OH-OE1 3.37Å; Y354-W376 VanDerWaalsContact CD2-O 3.27Å; Y354-W376 WeakPolarHBondContact CD2-O 3.47Å; Y354-W376 VanDerWaalsContact CE2-O 3.3Å; Y354-W376 WeakPolarHBondContact CE2-O 3.43Å |
| 355 | S | 94.2 | Very high | 92.5 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 46% | 0.462 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -179.6 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | T351 L352 I353 S359 | T351-S355 VanDerWaalsContact O-CB 3.26Å; T351-S355 WeakPolarHBondContact O-CB 3.43Å; T351-S355 PolarHBondContact O-N 3.44Å; T351-S355 PolarHBondContact O-OG 3.16Å; L352-S355 PolarHBondContact O-N 3.32Å; I353-S355 PolarHBondContact O-N 3.24Å; S355-S359 PolarHBondContact O-N 2.96Å |
| 356 | Y | 95.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -53.1 | 178.1 | 179.8 | -97 | 0 | 0 | 0 | 111.2 | P35 L92 L100 P104 L106 L352 I353 N358 S359 V362 | P35-Y356 WeakPolarHBondContact O-CE2 3.46Å; P35-Y356 PolarHBondContact O-OH 3.06Å; L92-Y356 HydrophobicContact CD1-CD1 4.24Å; L92-Y356 HydrophobicContact CD1-CE1 4.41Å; L100-Y356 HydrophobicContact CD1-CD1 4.02Å; L100-Y356 HydrophobicContact CD1-CG 4.01Å; L100-Y356 HydrophobicContact CD2-CD1 4.28Å; L100-Y356 HydrophobicContact CD2-CD2 3.82Å; L100-Y356 HydrophobicContact CD2-CE2 4.27Å; L100-Y356 HydrophobicContact CD2-CG 3.84Å; P104-Y356 HydrophobicContact CB-CD2 4.49Å; L106-Y356 HydrophobicContact CD1-CE2 4.41Å; L106-Y356 WeakPolarHBondContact CD1-OH 3.27Å; L106-Y356 HydrophobicContact CG-CE2 4.45Å; L352-Y356 WeakPolarHBondContact O-CB 3.45Å; L352-Y356 PolarHBondContact O-N 2.95Å; I353-Y356 PolarHBondContact O-N 2.88Å; Y356-N358 VanDerWaalsContact C-N 3.34Å; Y356-N358 PolarHBondContact O-N 3.44Å; Y356-S359 VanDerWaalsContact O-CB 3.23Å; Y356-S359 WeakPolarHBondContact O-CB 3.36Å; Y356-S359 PolarHBondContact O-N 3.05Å; Y356-S359 VanDerWaalsContact O-N 3.16Å; Y356-V362 HydrophobicContact CD1-CG1 4.1Å; Y356-V362 HydrophobicContact CD1-CG2 4.5Å; Y356-V362 HydrophobicContact CD2-CG2 4.02Å; Y356-V362 HydrophobicContact CE1-CG1 3.66Å; Y356-V362 HydrophobicContact CE1-CG2 4.24Å; Y356-V362 HydrophobicContact CE2-CG2 3.74Å; Y356-V362 HydrophobicContact CG-CG2 4.38Å; Y356-V362 VanDerWaalsContact O-CB 3.32Å; Y356-V362 WeakPolarHBondContact O-CB 3.13Å; Y356-V362 WeakPolarHBondContact O-CG2 3.47Å |
| 357 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.4 | -24.8 | -176.3 | -69.9 | 178.3 | 0 | 0 | 0 | 113.5 | L88 L92 F130 I353 S359 V362 R363 I366 W376 | L88-L357 HydrophobicContact CB-CD1 4.11Å; L88-L357 HydrophobicContact CD1-CD1 4.02Å; L88-L357 HydrophobicContact CD1-CD2 4.29Å; L92-L357 HydrophobicContact CD1-CD1 3.94Å; L92-L357 HydrophobicContact CD1-CD2 3.92Å; L92-L357 HydrophobicContact CD1-CG 4.02Å; F130-L357 HydrophobicContact CE2-CB 4.41Å; F130-L357 HydrophobicContact CE2-CD2 4.18Å; F130-L357 HydrophobicContact CZ-CB 4.05Å; F130-L357 WeakPolarHBondContact CZ-O 3.4Å; I353-L357 HydrophobicContact CD1-CD1 4.24Å; I353-L357 HydrophobicContact CG1-CD1 3.77Å; I353-L357 HydrophobicContact CG1-CG 4.29Å; I353-L357 WeakPolarHBondContact O-CB 3.4Å; I353-L357 PolarHBondContact O-N 3.15Å; L357-S359 VanDerWaalsContact C-N 3.33Å; L357-V362 HydrophobicContact CD2-CG1 4.37Å; L357-R363 WeakPolarHBondContact O-CG 3.44Å; L357-I366 HydrophobicContact CD2-CD1 4.22Å; L357-W376 HydrophobicContact CB-CB 4.29Å; L357-W376 HydrophobicContact CB-CD2 3.82Å; L357-W376 HydrophobicContact CB-CE3 3.94Å; L357-W376 HydrophobicContact CB-CG 3.96Å; L357-W376 HydrophobicContact CD1-CD2 3.53Å; L357-W376 HydrophobicContact CD1-CE3 3.86Å; L357-W376 HydrophobicContact CD1-CG 4.18Å; L357-W376 HydrophobicContact CD1-CH2 3.66Å; L357-W376 HydrophobicContact CD1-CZ2 3.32Å; L357-W376 HydrophobicContact CD1-CZ3 3.92Å; L357-W376 HydrophobicContact CG-CD2 4.33Å |
| 358 | N | 95.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.5 | 172 | -77 | -64.3 | 0 | 0 | 0 | 114.5 | Y354 Y356 P360 E375 W376 | Y354-N358 WeakPolarHBondContact CD2-ND2 3.11Å; Y354-N358 VanDerWaalsContact CE2-ND2 3.26Å; Y354-N358 WeakPolarHBondContact CE2-ND2 3.14Å; Y354-N358 VanDerWaalsContact O-CB 3.29Å; Y354-N358 WeakPolarHBondContact O-CB 3.19Å; Y354-N358 PolarHBondContact O-N 3.33Å; Y354-N358 VanDerWaalsContact O-N 3.08Å; Y354-N358 PolarHBondContact O-ND2 3.29Å; Y356-N358 VanDerWaalsContact C-N 3.34Å; Y356-N358 PolarHBondContact O-N 3.44Å; N358-P360 WeakPolarHBondContact O-CD 3.31Å; N358-E375 VanDerWaalsContact OD1-CA 3.31Å; N358-E375 WeakPolarHBondContact OD1-CA 3.34Å; N358-W376 PolarHBondContact ND2-O 3.41Å; N358-W376 PolarHBondContact OD1-N 3.31Å |
| 359 | S | 94.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | trans | -61.8 | 124.7 | 174.3 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | S355 Y356 L357 I361 V362 R363 | S355-S359 PolarHBondContact O-N 2.96Å; Y356-S359 VanDerWaalsContact O-CB 3.23Å; Y356-S359 WeakPolarHBondContact O-CB 3.36Å; Y356-S359 PolarHBondContact O-N 3.05Å; Y356-S359 VanDerWaalsContact O-N 3.16Å; L357-S359 VanDerWaalsContact C-N 3.33Å; S359-I361 PolarHBondContact O-N 3.25Å; S359-I361 VanDerWaalsContact O-N 3.15Å; S359-I361 PolarHBondContact OG-N 3.26Å; S359-V362 PolarHBondContact O-N 3.18Å; S359-R363 WeakPolarHBondContact O-CG 3.39Å; S359-R363 PolarHBondContact O-N 2.95Å | ||
| 360 | P | 92.7 | Very high | 93.6 | Very high | 96 Ų | 96 | 53 Ų | 53 | 62% | 0.623 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -57.9 | -30.7 | 177 | -25.9 | 34.6 | 0 | 0 | 0 | 113.1 | N358 R364 | N358-P360 WeakPolarHBondContact O-CD 3.31Å; P360-R364 WeakPolarHBondContact O-CB 3.38Å; P360-R364 PolarHBondContact O-N 2.82Å; P360-R364 VanDerWaalsContact O-N 3.16Å |
| 361 | I | 93.5 | Very high | 93.6 | Very high | 106 Ų | 106 | 56 Ų | 56 | 54% | 0.544 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.1 | -51.5 | 175.8 | -65.2 | 173.5 | 0 | 0 | 0 | 109.5 | P35 S359 R364 F365 | P35-I361 HydrophobicContact CG-CG2 4.23Å; S359-I361 PolarHBondContact O-N 3.25Å; S359-I361 VanDerWaalsContact O-N 3.15Å; S359-I361 PolarHBondContact OG-N 3.26Å; I361-R364 PolarHBondContact O-N 2.89Å; I361-F365 HydrophobicContact CG2-CD2 3.71Å; I361-F365 HydrophobicContact CG2-CE2 3.79Å; I361-F365 VanDerWaalsContact O-CD2 3.23Å; I361-F365 WeakPolarHBondContact O-CD2 3.19Å; I361-F365 PolarHBondContact O-N 3.02Å; I361-F365 VanDerWaalsContact O-N 3.1Å |
| 362 | V | 95.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.4 | -54.6 | 178.8 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | P35 Y356 L357 S359 R364 F365 I366 | P35-V362 HydrophobicContact CB-CG2 4.09Å; P35-V362 HydrophobicContact CG-CG2 4.32Å; Y356-V362 HydrophobicContact CD1-CG1 4.1Å; Y356-V362 HydrophobicContact CD1-CG2 4.5Å; Y356-V362 HydrophobicContact CD2-CG2 4.02Å; Y356-V362 HydrophobicContact CE1-CG1 3.66Å; Y356-V362 HydrophobicContact CE1-CG2 4.24Å; Y356-V362 HydrophobicContact CE2-CG2 3.74Å; Y356-V362 HydrophobicContact CG-CG2 4.38Å; Y356-V362 VanDerWaalsContact O-CB 3.32Å; Y356-V362 WeakPolarHBondContact O-CB 3.13Å; Y356-V362 WeakPolarHBondContact O-CG2 3.47Å; L357-V362 HydrophobicContact CD2-CG1 4.37Å; S359-V362 PolarHBondContact O-N 3.18Å; V362-R364 VanDerWaalsContact C-N 3.26Å; V362-R364 PolarHBondContact O-N 3.44Å; V362-F365 PolarHBondContact O-N 3.26Å; V362-I366 HydrophobicContact CG1-CD1 4.27Å; V362-I366 HydrophobicContact CG1-CG1 4.49Å; V362-I366 HydrophobicContact CG1-CG2 4.29Å; V362-I366 WeakPolarHBondContact O-CG1 3.35Å; V362-I366 PolarHBondContact O-N 3.26Å |
| 363 | R | 95.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -51.9 | -43.4 | -179.8 | -68.7 | 178.9 | 63.3 | 169.7 | 2.8 | 113 | F130 L357 S359 N367 V368 R369 L370 P373 K374 | F130-R363 HydrophobicContact CE1-CG 4.15Å; F130-R363 HydrophobicContact CZ-CG 4.12Å; L357-R363 WeakPolarHBondContact O-CG 3.44Å; S359-R363 WeakPolarHBondContact O-CG 3.39Å; S359-R363 PolarHBondContact O-N 2.95Å; R363-N367 PolarHBondContact O-N 3.34Å; R363-V368 HydrophobicContact CB-CB 4.29Å; R363-V368 HydrophobicContact CB-CG1 4.32Å; R363-V368 HydrophobicContact CG-CG1 4.35Å; R363-V368 PolarHBondContact O-N 3.26Å; R363-R369 PolarHBondContact NH2-O 3.01Å; R363-L370 HydrophobicContact CB-CD2 3.77Å; R363-P373 PolarHBondContact NH2-O 3.1Å; R363-K374 PolarHBondContact NH1-O 3.02Å |
| 364 | R | 94.8 | Very high | 93 | Very high | 188 Ų | 188 | 62.7 Ų | 62.7 | 71% | 0.709 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 177.1 | -178.9 | 175.4 | 180 | 170 | 0.6 | 112.5 | P360 I361 V362 N367 | P360-R364 WeakPolarHBondContact O-CB 3.38Å; P360-R364 PolarHBondContact O-N 2.82Å; P360-R364 VanDerWaalsContact O-N 3.16Å; I361-R364 PolarHBondContact O-N 2.89Å; V362-R364 VanDerWaalsContact C-N 3.26Å; V362-R364 PolarHBondContact O-N 3.44Å; R364-N367 PolarHBondContact O-N 3.18Å |
| 365 | F | 95.5 | Very high | 92.9 | Very high | 82 Ų | 82 | 64.7 Ų | 64.7 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.4 | -29.4 | -177.6 | -85.5 | -69.8 | 0 | 0 | 0 | 113.2 | Y33 P35 I361 V362 N367 | Y33-F365 AromaticContact CD1-CD1 3.8Å; Y33-F365 HydrophobicContact CD1-CD1 3.8Å; Y33-F365 HydrophobicContact CD1-CD2 4.19Å; Y33-F365 AromaticContact CD1-CE1 3.67Å; Y33-F365 HydrophobicContact CD1-CE1 3.67Å; Y33-F365 HydrophobicContact CD1-CE2 4.08Å; Y33-F365 HydrophobicContact CD1-CG 4.06Å; Y33-F365 AromaticContact CD1-CZ 3.83Å; Y33-F365 HydrophobicContact CD1-CZ 3.83Å; Y33-F365 HydrophobicContact CE1-CE2 4.47Å; Y33-F365 HydrophobicContact CE1-CZ 4.45Å; Y33-F365 HydrophobicContact CG-CD1 4.24Å; Y33-F365 HydrophobicContact CG-CE1 4.03Å; Y33-F365 HydrophobicContact CG-CZ 4.49Å; Y33-F365 WeakPolarHBondContact O-CB 3.33Å; Y33-F365 WeakPolarHBondContact O-CD1 3.46Å; P35-F365 HydrophobicContact CG-CB 3.79Å; P35-F365 HydrophobicContact CG-CD2 3.6Å; P35-F365 HydrophobicContact CG-CE2 4.45Å; P35-F365 HydrophobicContact CG-CG 3.88Å; I361-F365 HydrophobicContact CG2-CD2 3.71Å; I361-F365 HydrophobicContact CG2-CE2 3.79Å; I361-F365 VanDerWaalsContact O-CD2 3.23Å; I361-F365 WeakPolarHBondContact O-CD2 3.19Å; I361-F365 PolarHBondContact O-N 3.02Å; I361-F365 VanDerWaalsContact O-N 3.1Å; V362-F365 PolarHBondContact O-N 3.26Å; F365-N367 VanDerWaalsContact C-N 3.25Å; F365-N367 PolarHBondContact O-N 3.24Å |
| 366 | I | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 18.9 | 174.3 | 71.1 | 167 | 0 | 0 | 0 | 112.4 | I31 L34 S47 W62 F130 L357 V362 V368 | I31-I366 HydrophobicContact CD1-CB 4.15Å; I31-I366 HydrophobicContact CD1-CG2 4.11Å; L34-I366 HydrophobicContact CD1-CG2 4.35Å; S47-I366 WeakPolarHBondContact CB-O 3.37Å; S47-I366 PolarHBondContact OG-O 2.75Å; W62-I366 HydrophobicContact CE3-CD1 4.5Å; W62-I366 HydrophobicContact CH2-CB 4.35Å; W62-I366 HydrophobicContact CH2-CG2 3.53Å; W62-I366 HydrophobicContact CZ2-CG2 4.1Å; W62-I366 HydrophobicContact CZ3-CB 4.32Å; W62-I366 HydrophobicContact CZ3-CD1 3.93Å; W62-I366 HydrophobicContact CZ3-CG2 3.92Å; F130-I366 HydrophobicContact CE2-CD1 3.81Å; F130-I366 HydrophobicContact CZ-CD1 4.36Å; L357-I366 HydrophobicContact CD2-CD1 4.22Å; V362-I366 HydrophobicContact CG1-CD1 4.27Å; V362-I366 HydrophobicContact CG1-CG1 4.49Å; V362-I366 HydrophobicContact CG1-CG2 4.29Å; V362-I366 WeakPolarHBondContact O-CG1 3.35Å; V362-I366 PolarHBondContact O-N 3.26Å; I366-V368 HydrophobicContact CD1-CB 4.49Å; I366-V368 HydrophobicContact CD1-CG2 3.72Å; I366-V368 HydrophobicContact CG1-CB 4.17Å; I366-V368 HydrophobicContact CG1-CG2 3.73Å; I366-V368 PolarHBondContact O-N 2.94Å |
| 367 | N | 95.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 27.8 | 175.3 | -54.6 | -44.8 | 0 | 0 | 0 | 114.8 | D29 E30 S47 R363 R364 F365 | D29-N367 PolarHBondContact O-ND2 2.67Å; E30-N367 PolarHBondContact O-ND2 3.49Å; S47-N367 WeakPolarHBondContact O-CB 3.48Å; R363-N367 PolarHBondContact O-N 3.34Å; R364-N367 PolarHBondContact O-N 3.18Å; F365-N367 VanDerWaalsContact C-N 3.25Å; F365-N367 PolarHBondContact O-N 3.24Å |
| 368 | V | 94.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | trans | -83.5 | 137.5 | 174.1 | 163.8 | 0 | 0 | 0 | 0 | 109.3 | F130 R363 I366 L370 | F130-V368 HydrophobicContact CB-CG1 4.3Å; F130-V368 HydrophobicContact CB-CG2 4.27Å; F130-V368 HydrophobicContact CD1-CB 4.47Å; F130-V368 HydrophobicContact CD1-CG1 3.42Å; F130-V368 VanDerWaalsContact CD1-CG1 3.42Å; F130-V368 HydrophobicContact CD1-CG2 4.27Å; F130-V368 HydrophobicContact CD2-CG1 4.29Å; F130-V368 HydrophobicContact CD2-CG2 3.6Å; F130-V368 HydrophobicContact CE1-CG1 3.65Å; F130-V368 HydrophobicContact CE2-CG1 4.49Å; F130-V368 HydrophobicContact CE2-CG2 3.9Å; F130-V368 HydrophobicContact CG-CB 4.45Å; F130-V368 HydrophobicContact CG-CG1 3.75Å; F130-V368 HydrophobicContact CG-CG2 3.79Å; F130-V368 HydrophobicContact CZ-CG1 4.19Å; F130-V368 HydrophobicContact CZ-CG2 4.33Å; R363-V368 HydrophobicContact CB-CB 4.29Å; R363-V368 HydrophobicContact CB-CG1 4.32Å; R363-V368 HydrophobicContact CG-CG1 4.35Å; R363-V368 PolarHBondContact O-N 3.26Å; I366-V368 HydrophobicContact CD1-CB 4.49Å; I366-V368 HydrophobicContact CD1-CG2 3.72Å; I366-V368 HydrophobicContact CG1-CB 4.17Å; I366-V368 HydrophobicContact CG1-CG2 3.73Å; I366-V368 PolarHBondContact O-N 2.94Å; V368-L370 PolarHBondContact O-N 3Å | ||
| 369 | R | 89.8 | Confident | 92.9 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | trans | -57.4 | 133.7 | 174.6 | -79.3 | -178.7 | 70.4 | 151.6 | 3.9 | 110.4 | Y49 Y132 R363 D371 L372 | Y49-R369 HydrophobicContact CE2-CG 4.06Å; Y132-R369 WeakPolarHBondContact OH-CD 3.29Å; Y132-R369 PolarHBondContact OH-NH1 2.94Å; R363-R369 PolarHBondContact NH2-O 3.01Å; R369-D371 WeakPolarHBondContact CB-OD1 3.41Å; R369-D371 IonicContact CZ-OD1 3.27Å; R369-D371 IonicContact CZ-OD2 2.9Å; R369-D371 IonicContact NE-OD1 3.4Å; R369-D371 PolarHBondContact NE-OD1 3.28Å; R369-D371 IonicContact NE-OD2 3.71Å; R369-D371 IonicContact NH2-OD1 3.76Å; R369-D371 IonicContact NH2-OD2 2.68Å; R369-D371 PolarHBondContact NH2-OD2 3.25Å; R369-L372 VanDerWaalsContact CB-O 3.24Å; R369-L372 WeakPolarHBondContact CB-O 3.5Å | ||
| 370 | L | 88 | Confident | 92.9 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -83.6 | -15.3 | 179.9 | -63.9 | 179 | 0 | 0 | 0 | 113.1 | R363 V368 | R363-L370 HydrophobicContact CB-CD2 3.77Å; V368-L370 PolarHBondContact O-N 3Å |
| 371 | D | 89 | Confident | 92.9 | Very high | 84 Ų | 84 | 57.5 Ų | 57.5 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -93 | -34.7 | -177 | 63.3 | -44.2 | 0 | 0 | 0 | 113.3 | R369 | R369-D371 WeakPolarHBondContact CB-OD1 3.41Å; R369-D371 IonicContact CZ-OD1 3.27Å; R369-D371 IonicContact CZ-OD2 2.9Å; R369-D371 IonicContact NE-OD1 3.4Å; R369-D371 PolarHBondContact NE-OD1 3.28Å; R369-D371 IonicContact NE-OD2 3.71Å; R369-D371 IonicContact NH2-OD1 3.76Å; R369-D371 IonicContact NH2-OD2 2.68Å; R369-D371 PolarHBondContact NH2-OD2 3.25Å |
| 372 | L | 86.3 | Confident | 92.8 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -147.8 | 138.3 | -176.6 | -69.8 | 171.4 | 0 | 0 | 0 | 111.4 | R369 | R369-L372 VanDerWaalsContact CB-O 3.24Å; R369-L372 WeakPolarHBondContact CB-O 3.5Å |
| 373 | P | 88.8 | Confident | 92.8 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | S | Bend | cis | -64.2 | 157.3 | -17.2 | 26.1 | -29.7 | 0 | 0 | 0 | 110.7 | G129 F130 R363 E375 | G129-P373 VanDerWaalsContact O-CG 3.28Å; G129-P373 WeakPolarHBondContact O-CG 3.16Å; F130-P373 HydrophobicContact CB-CG 4.47Å; F130-P373 HydrophobicContact CD1-CG 4.2Å; F130-P373 WeakPolarHBondContact O-CD 3.46Å; R363-P373 PolarHBondContact NH2-O 3.1Å; P373-E375 VanDerWaalsContact C-N 3.31Å; P373-E375 PolarHBondContact O-N 3.18Å |
| 374 | K | 87.8 | Confident | 92.8 | Very high | 180 Ų | 180 | 56 Ų | 56 | 78% | 0.783 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -69 | -33.4 | -175.8 | -70.7 | -177 | 179.5 | 177.9 | 0 | 112.6 | R363 | R363-K374 PolarHBondContact NH1-O 3.02Š|
| 375 | E | 92.3 | Very high | 92.6 | Very high | 97 Ų | 97 | 50.3 Ų | 50.3 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -140.1 | 140.6 | -174.8 | -171.6 | -179.5 | 142.4 | 0 | 0 | 108.3 | Y354 N358 P373 | Y354-E375 HydrophobicContact CE2-CG 3.95Å; Y354-E375 VanDerWaalsContact CE2-OE1 3.24Å; Y354-E375 WeakPolarHBondContact CE2-OE1 3.41Å; Y354-E375 PolarHBondContact OH-OE1 3.37Å; N358-E375 VanDerWaalsContact OD1-CA 3.31Å; N358-E375 WeakPolarHBondContact OD1-CA 3.34Å; P373-E375 VanDerWaalsContact C-N 3.31Å; P373-E375 PolarHBondContact O-N 3.18Å |
| 376 | W | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -91.7 | 139.4 | 169.4 | -177.4 | 94.8 | 0 | 0 | 0 | 109.3 | S86 L88 E123 F130 I353 Y354 L357 N358 V378 | S86-W376 WeakPolarHBondContact OG-CZ2 3.37Å; L88-W376 HydrophobicContact CB-CZ2 4.38Å; E123-W376 PolarHBondContact OE1-NE1 3.14Å; F130-W376 HydrophobicContact CD1-CB 4.15Å; F130-W376 AromaticContact CD1-CD1 3.87Å; F130-W376 HydrophobicContact CD1-CG 4.42Å; F130-W376 AromaticContact CD2-CD1 3.6Å; F130-W376 HydrophobicContact CE1-CB 3.52Å; F130-W376 AromaticContact CE1-CD1 3.77Å; F130-W376 AromaticContact CE1-CG 3.98Å; F130-W376 HydrophobicContact CE1-CG 3.98Å; F130-W376 AromaticContact CE2-CD1 3.47Å; F130-W376 VanDerWaalsContact CE2-CD1 3.47Å; F130-W376 HydrophobicContact CE2-CG 4.15Å; F130-W376 AromaticContact CG-CD1 3.8Å; F130-W376 HydrophobicContact CZ-CB 3.75Å; F130-W376 AromaticContact CZ-CD1 3.57Å; F130-W376 AromaticContact CZ-CG 3.83Å; F130-W376 HydrophobicContact CZ-CG 3.83Å; I353-W376 HydrophobicContact CB-CH2 4.48Å; I353-W376 HydrophobicContact CB-CZ3 4.5Å; I353-W376 HydrophobicContact CD1-CH2 3.66Å; I353-W376 HydrophobicContact CD1-CZ2 4.26Å; I353-W376 HydrophobicContact CD1-CZ3 4.46Å; I353-W376 HydrophobicContact CG1-CH2 3.63Å; I353-W376 HydrophobicContact CG1-CZ2 4.43Å; I353-W376 HydrophobicContact CG1-CZ3 3.95Å; I353-W376 HydrophobicContact CG2-CH2 4.16Å; I353-W376 HydrophobicContact CG2-CZ3 4.13Å; Y354-W376 VanDerWaalsContact CD2-O 3.27Å; Y354-W376 WeakPolarHBondContact CD2-O 3.47Å; Y354-W376 VanDerWaalsContact CE2-O 3.3Å; Y354-W376 WeakPolarHBondContact CE2-O 3.43Å; L357-W376 HydrophobicContact CB-CB 4.29Å; L357-W376 HydrophobicContact CB-CD2 3.82Å; L357-W376 HydrophobicContact CB-CE3 3.94Å; L357-W376 HydrophobicContact CB-CG 3.96Å; L357-W376 HydrophobicContact CD1-CD2 3.53Å; L357-W376 HydrophobicContact CD1-CE3 3.86Å; L357-W376 HydrophobicContact CD1-CG 4.18Å; L357-W376 HydrophobicContact CD1-CH2 3.66Å; L357-W376 HydrophobicContact CD1-CZ2 3.32Å; L357-W376 HydrophobicContact CD1-CZ3 3.92Å; L357-W376 HydrophobicContact CG-CD2 4.33Å; N358-W376 PolarHBondContact ND2-O 3.41Å; N358-W376 PolarHBondContact OD1-N 3.31Å; W376-V378 HydrophobicContact CH2-CB 4.17Å; W376-V378 HydrophobicContact CH2-CG2 3.68Å; W376-V378 HydrophobicContact CZ3-CG2 3.77Å | ||
| 377 | D | 94.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | trans | -135.8 | 154.6 | 171.3 | -154.9 | -11.6 | 0 | 0 | 0 | 109.7 | R342 C379 | R342-D377 WeakPolarHBondContact CD-OD2 3.25Å; R342-D377 WeakPolarHBondContact CG-OD2 3.33Å; R342-D377 IonicContact CZ-OD1 3.81Å; R342-D377 IonicContact CZ-OD2 3.5Å; R342-D377 VanDerWaalsContact NE-CG 3.34Å; R342-D377 IonicContact NE-OD1 2.64Å; R342-D377 PolarHBondContact NE-OD1 3.12Å; R342-D377 IonicContact NE-OD2 3.72Å; R342-D377 PolarHBondContact NE-OD2 3.05Å; R342-D377 IonicContact NH2-OD1 2.71Å; R342-D377 PolarHBondContact NH2-OD1 3.15Å; R342-D377 IonicContact NH2-OD2 3.71Å; D377-C379 VanDerWaalsContact C-N 3.33Å; D377-C379 PolarHBondContact O-N 3.1Å | ||
| 378 | V | 95.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -60.9 | -47.7 | 179.2 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | C85 S86 M345 I353 W376 | C85-V378 CarbonylContact C-O 3.6Å; C85-V378 WeakPolarHBondContact CA-O 3.49Å; S86-V378 PolarHBondContact N-O 3.45Å; M345-V378 HydrophobicContact SD-CG1 3.95Å; I353-V378 HydrophobicContact CG2-CG2 3.97Å; W376-V378 HydrophobicContact CH2-CB 4.17Å; W376-V378 HydrophobicContact CH2-CG2 3.68Å; W376-V378 HydrophobicContact CZ3-CG2 3.77Å |
| 379 | C | 96.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -131 | 131.9 | -179.9 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | G84 C85 F315 L343 D377 E381 | G84-C379 CarbonylContact O-C 3.59Å; G84-C379 VanDerWaalsContact O-CA 3.26Å; G84-C379 WeakPolarHBondContact O-CA 3.34Å; C85-C379 HydrophobicContact CB-CB 4.14Å; C85-C379 WeakPolarHBondContact CB-SG 3.37Å; C85-C379 WeakPolarHBondContact SG-CB 3.49Å; C85-C379 CovalentContact SG-SG 2.05Å; C85-C379 PolarHBondContact SG-SG 2.92Å; F315-C379 HydrophobicContact CE1-CB 4Å; F315-C379 HydrophobicContact CZ-CB 4.02Å; F315-C379 VanDerWaalsContact CZ-SG 3.6Å; L343-C379 HydrophobicContact CD2-CB 4.18Å; L343-C379 HydrophobicContact CG-CB 4.3Å; D377-C379 VanDerWaalsContact C-N 3.33Å; D377-C379 PolarHBondContact O-N 3.1Å; C379-E381 PolarHBondContact O-N 2.89Å |
| 380 | S | 95 | Very high | 93.2 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | trans | -83.9 | 109.1 | 178.7 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | G84 G127 T382 V383 N384 | G84-S380 PolarHBondContact O-N 3.01Å; G127-S380 WeakPolarHBondContact O-CB 3.47Å; G127-S380 PolarHBondContact O-OG 3.25Å; S380-T382 VanDerWaalsContact C-N 3.26Å; S380-T382 PolarHBondContact O-N 3.23Å; S380-V383 PolarHBondContact O-N 3.43Å; S380-V383 WeakPolarHBondContact OG-CG2 3.38Å; S380-V383 PolarHBondContact OG-N 2.8Å; S380-N384 WeakPolarHBondContact O-CB 3.23Å; S380-N384 PolarHBondContact O-N 3.12Å | ||
| 381 | E | 91.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.5 | -40.5 | 176.3 | -177.5 | 178.3 | -155 | 0 | 0 | 111.9 | H312 R336 S341 L343 C379 N384 T385 | H312-E381 IonicContact CD2-OE1 3.48Å; H312-E381 PolarHBondContact CD2-OE1 3.31Å; H312-E381 IonicContact NE2-OE1 3.94Å; H312-E381 PolarHBondContact NE2-OE1 3.24Å; R336-E381 WeakPolarHBondContact CD-OE1 3.46Å; R336-E381 IonicContact NH1-OE1 3.72Å; R336-E381 PolarHBondContact NH1-OE1 2.89Å; S341-E381 VanDerWaalsContact C-OE2 3.23Å; S341-E381 WeakPolarHBondContact CB-OE1 3.32Å; S341-E381 VanDerWaalsContact CB-OE2 3.23Å; S341-E381 WeakPolarHBondContact CB-OE2 3.23Å; S341-E381 PolarHBondContact OG-OE1 3.41Å; S341-E381 PolarHBondContact OG-OE2 2.92Å; L343-E381 HydrophobicContact CB-CB 3.76Å; L343-E381 HydrophobicContact CB-CG 4.19Å; C379-E381 PolarHBondContact O-N 2.89Å; E381-N384 PolarHBondContact O-N 2.87Å; E381-T385 VanDerWaalsContact O-CB 3.24Å; E381-T385 WeakPolarHBondContact O-CB 3.36Å; E381-T385 PolarHBondContact O-N 3.47Å; E381-T385 PolarHBondContact O-OG1 3.11Å |
| 382 | T | 92.2 | Very high | 94 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | W140 S380 N386 | W140-T382 HydrophobicContact CH2-CG2 3.87Å; W140-T382 HydrophobicContact CZ3-CG2 4.23Å; S380-T382 VanDerWaalsContact C-N 3.26Å; S380-T382 PolarHBondContact O-N 3.23Å; T382-N386 WeakPolarHBondContact O-CB 3.46Å; T382-N386 PolarHBondContact O-N 3.1Å; T382-N386 PolarHBondContact O-ND2 3.23Å |
| 383 | V | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -54.2 | 177 | 173.7 | 0 | 0 | 0 | 0 | 109.2 | P125 V128 W140 S380 T385 N386 Y387 | P125-V383 HydrophobicContact CG-CG1 3.59Å; V128-V383 HydrophobicContact CG2-CB 4.44Å; V128-V383 HydrophobicContact CG2-CG1 4.21Å; V128-V383 HydrophobicContact CG2-CG2 4.15Å; W140-V383 HydrophobicContact CD2-CG2 4.47Å; W140-V383 HydrophobicContact CG-CG1 4.23Å; W140-V383 HydrophobicContact CZ2-CG2 4.23Å; S380-V383 PolarHBondContact O-N 3.43Å; S380-V383 WeakPolarHBondContact OG-CG2 3.38Å; S380-V383 PolarHBondContact OG-N 2.8Å; V383-T385 VanDerWaalsContact C-N 3.35Å; V383-T385 PolarHBondContact O-N 2.02Å; V383-N386 CarbonylContact O-C 3.21Å; V383-N386 PolarHBondContact O-N 3.19Å; V383-Y387 HydrophobicContact CG1-CD2 3.96Å; V383-Y387 VanDerWaalsContact O-CB 3.3Å; V383-Y387 WeakPolarHBondContact O-CB 3.42Å; V383-Y387 PolarHBondContact O-N 2.78Å |
| 384 | N | 95.1 | Very high | 95 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -44.2 | -175.5 | -177.8 | -93.7 | 0 | 0 | 0 | 113.4 | P83 F315 L343 S380 E381 Y387 | P83-N384 WeakPolarHBondContact O-CB 3.27Å; P83-N384 PolarHBondContact O-ND2 2.82Å; F315-N384 WeakPolarHBondContact CD1-ND2 3.47Å; F315-N384 PolarHBondContact O-ND2 3.1Å; L343-N384 HydrophobicContact CD2-CB 3.47Å; L343-N384 VanDerWaalsContact CD2-CB 3.47Å; S380-N384 WeakPolarHBondContact O-CB 3.23Å; S380-N384 PolarHBondContact O-N 3.12Å; E381-N384 PolarHBondContact O-N 2.87Å; N384-Y387 PolarHBondContact O-N 2.8Å |
| 385 | T | 90.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 42% | 0.423 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.6 | -36.1 | -177.3 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | R336 E381 V383 | R336-T385 PolarHBondContact NH1-OG1 2.77Å; R336-T385 VanDerWaalsContact NH1-OG1 3.13Å; E381-T385 VanDerWaalsContact O-CB 3.24Å; E381-T385 WeakPolarHBondContact O-CB 3.36Å; E381-T385 PolarHBondContact O-N 3.47Å; E381-T385 PolarHBondContact O-OG1 3.11Å; V383-T385 VanDerWaalsContact C-N 3.35Å; V383-T385 PolarHBondContact O-N 2.02Å |
| 386 | N | 94 | Very high | 95.8 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 49% | 0.492 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -94.7 | 0.3 | -178.7 | -63.9 | -72.7 | 0 | 0 | 0 | 113.3 | W140 T382 V383 V388 | W140-N386 HydrophobicContact CE3-CB 3.65Å; W140-N386 HydrophobicContact CZ3-CB 3.89Å; T382-N386 WeakPolarHBondContact O-CB 3.46Å; T382-N386 PolarHBondContact O-N 3.1Å; T382-N386 PolarHBondContact O-ND2 3.23Å; V383-N386 CarbonylContact O-C 3.21Å; V383-N386 PolarHBondContact O-N 3.19Å; N386-V388 PolarHBondContact O-N 3.41Å |
| 387 | Y | 96.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | trans | -71.6 | 118.7 | -176.9 | -153.5 | -83.9 | 0 | 0 | 0 | 112.2 | P83 P125 W140 D141 D142 T145 Y175 Y179 V383 N384 R389 | P83-Y387 HydrophobicContact CB-CD1 3.94Å; P83-Y387 HydrophobicContact CB-CD2 3.85Å; P83-Y387 HydrophobicContact CB-CE1 4.21Å; P83-Y387 HydrophobicContact CB-CE2 4.16Å; P83-Y387 HydrophobicContact CB-CG 3.76Å; P83-Y387 HydrophobicContact CG-CD1 3.83Å; P83-Y387 HydrophobicContact CG-CD2 4.28Å; P83-Y387 HydrophobicContact CG-CG 3.71Å; P125-Y387 HydrophobicContact CG-CE2 4.1Å; W140-Y387 HydrophobicContact CB-CD2 3.64Å; W140-Y387 HydrophobicContact CB-CE2 4.05Å; W140-Y387 HydrophobicContact CB-CG 4.37Å; W140-Y387 CarbonylContact O-C 3.59Å; W140-Y387 WeakPolarHBondContact O-CA 3.43Å; D141-Y387 PolarHBondContact O-OH 3.06Å; D142-Y387 WeakPolarHBondContact CA-OH 3.44Å; D142-Y387 PolarHBondContact N-OH 3.24Å; D142-Y387 VanDerWaalsContact OD1-CE1 3.32Å; D142-Y387 WeakPolarHBondContact OD1-CE1 3.32Å; T145-Y387 WeakPolarHBondContact CB-OH 3.48Å; T145-Y387 PolarHBondContact OG1-OH 3.49Å; Y175-Y387 AromaticContact CE1-CE1 3.93Å; Y175-Y387 HydrophobicContact CE1-CE1 3.93Å; Y179-Y387 AromaticContact CE1-CZ 3.93Å; Y179-Y387 WeakPolarHBondContact CE1-OH 3.26Å; V383-Y387 HydrophobicContact CG1-CD2 3.96Å; V383-Y387 VanDerWaalsContact O-CB 3.3Å; V383-Y387 WeakPolarHBondContact O-CB 3.42Å; V383-Y387 PolarHBondContact O-N 2.78Å; N384-Y387 PolarHBondContact O-N 2.8Å; Y387-R389 HydrophobicContact CD1-CG 4.23Å; Y387-R389 PolarHBondContact O-NH1 2.93Å; Y387-R389 VanDerWaalsContact O-NH1 3.15Å | ||
| 388 | V | 97 | Very high | 96.1 | Very high | 84 Ų | 84 | 43.8 Ų | 43.8 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -87.8 | 113.4 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | W140 D141 D142 N386 I390 | W140-V388 PolarHBondContact O-N 3.47Å; D141-V388 VanDerWaalsContact CA-O 3.24Å; D141-V388 WeakPolarHBondContact CA-O 3.37Å; D141-V388 HydrophobicContact CB-CB 3.82Å; D141-V388 WeakPolarHBondContact CB-O 3.32Å; D142-V388 PolarHBondContact N-O 3.25Å; N386-V388 PolarHBondContact O-N 3.41Å; V388-I390 HydrophobicContact CG1-CG1 4.47Å |
| 389 | R | 96.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | trans | -88.9 | 107.4 | 178.6 | -50.1 | 172.2 | 167 | 62.2 | -5.9 | 107.8 | Y175 Y207 F315 N317 Y387 | Y175-R389 HydrophobicContact CE2-CG 4.23Å; Y175-R389 WeakPolarHBondContact OH-CB 3.37Å; Y175-R389 VanDerWaalsContact OH-CG 3.28Å; Y175-R389 WeakPolarHBondContact OH-CG 3.45Å; Y207-R389 WeakPolarHBondContact OH-CD 3.23Å; F315-R389 PolarHBondContact O-NH2 3.45Å; N317-R389 PolarHBondContact OD1-NE 3.35Å; N317-R389 PolarHBondContact OD1-NH2 2.71Å; Y387-R389 HydrophobicContact CD1-CG 4.23Å; Y387-R389 PolarHBondContact O-NH1 2.93Å; Y387-R389 VanDerWaalsContact O-NH1 3.15Å | ||
| 390 | I | 97.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 36% | 0.359 | 25% | 0.254 | S | S | . | . | trans | -84.4 | -46.7 | -177 | -59.6 | 176.8 | 0 | 0 | 0 | 109.3 | D141 D142 D143 V388 | D141-I390 HydrophobicContact CB-CD1 4Å; D141-I390 HydrophobicContact CB-CG1 4.37Å; D142-I390 HydrophobicContact CB-CB 4.2Å; D142-I390 HydrophobicContact CB-CD1 4.32Å; D142-I390 HydrophobicContact CB-CG1 4.35Å; D142-I390 WeakPolarHBondContact OD2-CA 3.08Å; D142-I390 WeakPolarHBondContact OD2-CB 3.22Å; D142-I390 PolarHBondContact OD2-N 2.67Å; D143-I390 HydrophobicContact CB-CD1 3.99Å; D143-I390 WeakPolarHBondContact OD2-CD1 3.29Å; V388-I390 HydrophobicContact CG1-CG1 4.47Å | ||
| 391 | Y | 97.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 49 Ų | 49 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | trans | -96.3 | 122.4 | -172.7 | -56.2 | -73.4 | 0 | 0 | 0 | 111.7 | D142 D143 V178 T182 L394 | D142-Y391 HydrophobicContact CB-CD2 3.65Å; D142-Y391 HydrophobicContact CB-CE2 3.82Å; D142-Y391 PolarHBondContact OD2-N 2.9Å; D143-Y391 VanDerWaalsContact OD1-CE2 3.24Å; D143-Y391 WeakPolarHBondContact OD1-CE2 3.45Å; D143-Y391 VanDerWaalsContact OD1-CZ 3.31Å; D143-Y391 PolarHBondContact OD1-OH 3.38Å; V178-Y391 HydrophobicContact CG1-CD2 4.23Å; T182-Y391 HydrophobicContact CG2-CD2 3.82Å; T182-Y391 HydrophobicContact CG2-CE2 3.63Å; Y391-L394 HydrophobicContact CG-CD1 4.39Å | ||
| 392 | R | 96.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 42% | 0.423 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -102.8 | -17.8 | 175.9 | -59.1 | -166.8 | 67.9 | 171.3 | -1.2 | 113.7 | Y207 D321 | Y207-R392 HydrophobicContact CD2-CB 4.2Å; Y207-R392 WeakPolarHBondContact CD2-O 2.95Å; Y207-R392 PolarHBondContact N-O 3.06Å; Y207-R392 VanDerWaalsContact N-O 3.07Å; D321-R392 IonicContact OD1-NH1 3.76Å; D321-R392 IonicContact OD2-CZ 3.8Å; D321-R392 IonicContact OD2-NH1 3.96Å; D321-R392 PolarHBondContact OD2-NH1 3.45Å; D321-R392 IonicContact OD2-NH2 3.95Å; D321-R392 PolarHBondContact OD2-NH2 3.47Å |
| 393 | D | 98.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -144.7 | 120.6 | 180 | -178.5 | -6.1 | 0 | 0 | 0 | 107.1 | N206 T395 | N206-D393 PolarHBondContact ND2-OD1 2.93Å; N206-D393 PolarHBondContact ND2-OD2 3.42Å; D393-T395 VanDerWaalsContact C-N 3.32Å; D393-T395 VanDerWaalsContact OD1-CB 3.24Å; D393-T395 WeakPolarHBondContact OD1-CB 3.47Å; D393-T395 PolarHBondContact OD1-N 3.26Å; D393-T395 PolarHBondContact OD1-OG1 2.69Å; D393-T395 PolarHBondContact OD2-OG1 2.8Å |
| 394 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -92.7 | 9.8 | -175.7 | -78.2 | -68.7 | 0 | 0 | 0 | 112.5 | V178 P181 T205 Y391 E396 Q397 Y398 F427 | V178-L394 HydrophobicContact CG1-CD1 4.49Å; V178-L394 HydrophobicContact CG2-CD2 4.18Å; P181-L394 HydrophobicContact CB-CD1 4.41Å; T205-L394 WeakPolarHBondContact O-CB 3.38Å; T205-L394 WeakPolarHBondContact O-CD2 2.89Å; T205-L394 PolarHBondContact O-N 2.97Å; Y391-L394 HydrophobicContact CG-CD1 4.39Å; L394-E396 VanDerWaalsContact C-N 3.27Å; L394-E396 PolarHBondContact O-N 2.79Å; L394-Q397 HydrophobicContact CD1-CB 4.16Å; L394-Q397 HydrophobicContact CD1-CG 3.8Å; L394-Q397 PolarHBondContact O-N 3.29Å; L394-Q397 VanDerWaalsContact O-N 3.11Å; L394-Q397 PolarHBondContact O-OE1 3.24Å; L394-Y398 HydrophobicContact CB-CD2 3.85Å; L394-Y398 HydrophobicContact CB-CE2 3.88Å; L394-Y398 WeakPolarHBondContact O-CD2 3.47Å; L394-Y398 PolarHBondContact O-N 3.43Å; L394-F427 HydrophobicContact CB-CZ 4.47Å | ||
| 395 | T | 98.6 | Very high | 97.3 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -50 | -45.7 | -178.2 | -68.4 | 0 | 0 | 0 | 0 | 112 | D393 Q397 M399 L431 | D393-T395 VanDerWaalsContact C-N 3.32Å; D393-T395 VanDerWaalsContact OD1-CB 3.24Å; D393-T395 WeakPolarHBondContact OD1-CB 3.47Å; D393-T395 PolarHBondContact OD1-N 3.26Å; D393-T395 PolarHBondContact OD1-OG1 2.69Å; D393-T395 PolarHBondContact OD2-OG1 2.8Å; T395-Q397 PolarHBondContact O-N 2.92Å; T395-M399 HydrophobicContact CG2-CG 4.46Å; T395-M399 WeakPolarHBondContact O-CB 3.48Å; T395-M399 VanDerWaalsContact O-CG 3.23Å; T395-M399 WeakPolarHBondContact O-CG 3.14Å; T395-M399 PolarHBondContact O-N 3.06Å; T395-L431 HydrophobicContact CG2-CD2 4.05Å |
| 396 | E | 98.3 | Very high | 97.7 | Very high | 137 Ų | 137 | 57.2 Ų | 57.2 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | -178.1 | -66.1 | -172.1 | 172 | 0 | 0 | 112.5 | L394 M399 Q400 | L394-E396 VanDerWaalsContact C-N 3.27Å; L394-E396 PolarHBondContact O-N 2.79Å; E396-M399 PolarHBondContact O-N 2.85Å; E396-Q400 WeakPolarHBondContact O-CB 3.26Å; E396-Q400 VanDerWaalsContact O-CG 3.31Å; E396-Q400 WeakPolarHBondContact O-CG 3.12Å; E396-Q400 PolarHBondContact O-N 2.92Å |
| 397 | Q | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -49 | -178 | -65.3 | 69.8 | 12.1 | 0 | 0 | 110 | P181 L185 L394 T395 M399 Q400 L401 | P181-Q397 HydrophobicContact CB-CB 3.83Å; L185-Q397 HydrophobicContact CD1-CB 4.04Å; L185-Q397 HydrophobicContact CD1-CG 3.76Å; L394-Q397 HydrophobicContact CD1-CB 4.16Å; L394-Q397 HydrophobicContact CD1-CG 3.8Å; L394-Q397 PolarHBondContact O-N 3.29Å; L394-Q397 VanDerWaalsContact O-N 3.11Å; L394-Q397 PolarHBondContact O-OE1 3.24Å; T395-Q397 PolarHBondContact O-N 2.92Å; Q397-M399 PolarHBondContact O-N 3.46Å; Q397-Q400 PolarHBondContact O-N 3.45Å; Q397-L401 WeakPolarHBondContact O-CG 3.3Å; Q397-L401 PolarHBondContact O-N 2.89Å |
| 398 | Y | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.8 | -82.6 | -89.5 | 0 | 0 | 0 | 111.9 | P181 I198 V200 T205 L394 Q400 L401 L402 V408 I410 F427 | P181-Y398 HydrophobicContact CB-CE2 4.3Å; P181-Y398 HydrophobicContact CG-CD2 4.12Å; P181-Y398 HydrophobicContact CG-CE1 4.45Å; P181-Y398 HydrophobicContact CG-CE2 3.46Å; P181-Y398 VanDerWaalsContact CG-CE2 3.46Å; I198-Y398 HydrophobicContact CD1-CD1 4.18Å; I198-Y398 HydrophobicContact CD1-CE1 3.7Å; V200-Y398 WeakPolarHBondContact CG2-OH 3.42Å; T205-Y398 HydrophobicContact CG2-CE2 4.1Å; L394-Y398 HydrophobicContact CB-CD2 3.85Å; L394-Y398 HydrophobicContact CB-CE2 3.88Å; L394-Y398 WeakPolarHBondContact O-CD2 3.47Å; L394-Y398 PolarHBondContact O-N 3.43Å; Y398-Q400 VanDerWaalsContact C-N 3.34Å; Y398-Q400 PolarHBondContact O-N 3.1Å; Y398-L401 PolarHBondContact O-N 3.27Å; Y398-L402 WeakPolarHBondContact O-CB 3.39Å; Y398-L402 VanDerWaalsContact O-CG 3.27Å; Y398-L402 WeakPolarHBondContact O-CG 3.33Å; Y398-L402 PolarHBondContact O-N 3.01Å; Y398-V408 HydrophobicContact CD1-CG1 3.75Å; Y398-V408 HydrophobicContact CD1-CG2 4.36Å; Y398-V408 HydrophobicContact CE1-CG1 3.63Å; Y398-I410 HydrophobicContact CD1-CD1 4.36Å; Y398-I410 HydrophobicContact CE1-CD1 3.73Å; Y398-I410 HydrophobicContact CE1-CG1 4.08Å; Y398-F427 HydrophobicContact CD1-CE1 4.4Å; Y398-F427 AromaticContact CD2-CE1 3.7Å; Y398-F427 HydrophobicContact CD2-CE1 3.7Å; Y398-F427 AromaticContact CD2-CZ 3.41Å; Y398-F427 HydrophobicContact CD2-CZ 3.41Å; Y398-F427 VanDerWaalsContact CD2-CZ 3.41Å; Y398-F427 AromaticContact CE2-CE1 3.85Å; Y398-F427 HydrophobicContact CE2-CE1 3.85Å; Y398-F427 AromaticContact CE2-CZ 3.89Å; Y398-F427 HydrophobicContact CE2-CZ 3.89Å; Y398-F427 AromaticContact CG-CE1 3.97Å; Y398-F427 HydrophobicContact CG-CE1 3.97Å; Y398-F427 AromaticContact CG-CZ 3.88Å; Y398-F427 HydrophobicContact CG-CZ 3.88Å |
| 399 | M | 98.3 | Very high | 98 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 22% | 0.222 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 177.5 | -71.3 | -58.7 | -71.1 | 0 | 0 | 112.8 | T395 E396 Q397 L402 K403 L431 L433 | T395-M399 HydrophobicContact CG2-CG 4.46Å; T395-M399 WeakPolarHBondContact O-CB 3.48Å; T395-M399 VanDerWaalsContact O-CG 3.23Å; T395-M399 WeakPolarHBondContact O-CG 3.14Å; T395-M399 PolarHBondContact O-N 3.06Å; E396-M399 PolarHBondContact O-N 2.85Å; Q397-M399 PolarHBondContact O-N 3.46Å; M399-L402 HydrophobicContact SD-CD1 4.26Å; M399-K403 WeakPolarHBondContact O-CB 3.31Å; M399-K403 WeakPolarHBondContact O-CD 3.46Å; M399-K403 WeakPolarHBondContact O-CG 3.34Å; M399-K403 PolarHBondContact O-N 3.16Å; M399-L431 HydrophobicContact CG-CD2 4.03Å; M399-L431 HydrophobicContact SD-CB 4.23Å; M399-L431 HydrophobicContact SD-CD2 4.08Å; M399-L433 HydrophobicContact CE-CD2 4.14Å; M399-L433 HydrophobicContact SD-CD2 3.94Å |
| 400 | Q | 98.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 48.6 Ų | 48.6 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 173.8 | -77.3 | -178.8 | 59.5 | 0 | 0 | 112 | L185 E396 Q397 Y398 K403 S404 | L185-Q400 HydrophobicContact CD2-CB 3.66Å; E396-Q400 WeakPolarHBondContact O-CB 3.26Å; E396-Q400 VanDerWaalsContact O-CG 3.31Å; E396-Q400 WeakPolarHBondContact O-CG 3.12Å; E396-Q400 PolarHBondContact O-N 2.92Å; Q397-Q400 PolarHBondContact O-N 3.45Å; Y398-Q400 VanDerWaalsContact C-N 3.34Å; Y398-Q400 PolarHBondContact O-N 3.1Å; Q400-K403 PolarHBondContact O-N 3.42Å; Q400-S404 WeakPolarHBondContact O-CB 2.92Å; Q400-S404 PolarHBondContact O-N 2.89Å; Q400-S404 PolarHBondContact O-OG 2.04Å |
| 401 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 176.9 | -69.4 | 170.4 | 0 | 0 | 0 | 111.7 | P181 L185 L188 F195 I198 Q397 Y398 K403 S404 K405 I406 | P181-L401 HydrophobicContact CB-CD1 4.13Å; L185-L401 HydrophobicContact CD2-CD2 3.93Å; L185-L401 HydrophobicContact CD2-CG 3.93Å; L188-L401 HydrophobicContact CD1-CD2 4.16Å; L188-L401 HydrophobicContact CD2-CD2 4.24Å; L188-L401 HydrophobicContact CG-CD2 4.22Å; F195-L401 HydrophobicContact CE1-CD2 4.4Å; I198-L401 HydrophobicContact CD1-CD1 3.79Å; Q397-L401 WeakPolarHBondContact O-CG 3.3Å; Q397-L401 PolarHBondContact O-N 2.89Å; Y398-L401 PolarHBondContact O-N 3.27Å; L401-K403 PolarHBondContact O-N 3.18Å; L401-S404 CarbonylContact O-C 3.44Å; L401-S404 WeakPolarHBondContact O-CA 3.15Å; L401-S404 PolarHBondContact O-N 3.48Å; L401-K405 PolarHBondContact O-N 3.31Å; L401-I406 HydrophobicContact CB-CB 4.25Å; L401-I406 HydrophobicContact CD2-CG1 4.31Å; L401-I406 WeakPolarHBondContact O-CB 3.29Å; L401-I406 PolarHBondContact O-N 3.08Å; L401-I406 VanDerWaalsContact O-N 3.13Å |
| 402 | L | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 178.3 | -71.8 | 167.8 | 0 | 0 | 0 | 111.8 | Y398 M399 S404 K405 V408 L433 A462 V464 S465 L467 | Y398-L402 WeakPolarHBondContact O-CB 3.39Å; Y398-L402 VanDerWaalsContact O-CG 3.27Å; Y398-L402 WeakPolarHBondContact O-CG 3.33Å; Y398-L402 PolarHBondContact O-N 3.01Å; M399-L402 HydrophobicContact SD-CD1 4.26Å; L402-S404 PolarHBondContact O-N 3.5Å; L402-S404 VanDerWaalsContact O-N 3.17Å; L402-K405 PolarHBondContact O-N 2.97Å; L402-K405 VanDerWaalsContact O-N 3.13Å; L402-V408 HydrophobicContact CD2-CB 4.12Å; L402-V408 HydrophobicContact CD2-CG2 3.59Å; L402-V408 HydrophobicContact CG-CG2 3.99Å; L402-L433 HydrophobicContact CD1-CD1 3.68Å; L402-L433 HydrophobicContact CD1-CD2 4.27Å; L402-A462 HydrophobicContact CB-CB 3.69Å; L402-A462 HydrophobicContact CD1-CB 4.26Å; L402-A462 HydrophobicContact CD2-CB 4.38Å; L402-A462 HydrophobicContact CG-CB 4.34Å; L402-V464 WeakPolarHBondContact O-CG2 3.48Å; L402-S465 VanDerWaalsContact CA-OG 3.27Å; L402-S465 WeakPolarHBondContact CA-OG 3.27Å; L402-S465 VanDerWaalsContact CD2-OG 3.26Å; L402-S465 WeakPolarHBondContact CD2-OG 3.46Å; L402-S465 PolarHBondContact O-OG 3.32Å; L402-L467 HydrophobicContact CD1-CD1 4.25Å; L402-L467 HydrophobicContact CD2-CB 4.12Å |
| 403 | K | 97.6 | Very high | 98.4 | Very high | 144 Ų | 144 | 37.3 Ų | 37.3 | 63% | 0.626 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -62 | -23 | 174.6 | -73.5 | 170.7 | -176 | 174.1 | 0 | 113.1 | M399 Q400 L401 K405 | M399-K403 WeakPolarHBondContact O-CB 3.31Å; M399-K403 WeakPolarHBondContact O-CD 3.46Å; M399-K403 WeakPolarHBondContact O-CG 3.34Å; M399-K403 PolarHBondContact O-N 3.16Å; Q400-K403 PolarHBondContact O-N 3.42Å; L401-K403 PolarHBondContact O-N 3.18Å; K403-K405 VanDerWaalsContact C-N 3.31Å |
| 404 | S | 97.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 39% | 0.385 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 20.4 | 179.2 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | L188 Q400 L401 L402 I406 | L188-S404 WeakPolarHBondContact CD1-OG 3.36Å; Q400-S404 WeakPolarHBondContact O-CB 2.92Å; Q400-S404 PolarHBondContact O-N 2.89Å; Q400-S404 PolarHBondContact O-OG 2.04Å; L401-S404 CarbonylContact O-C 3.44Å; L401-S404 WeakPolarHBondContact O-CA 3.15Å; L401-S404 PolarHBondContact O-N 3.48Å; L402-S404 PolarHBondContact O-N 3.5Å; L402-S404 VanDerWaalsContact O-N 3.17Å; S404-I406 PolarHBondContact O-N 3.24Å |
| 405 | K | 97.2 | Very high | 98.4 | Very high | 156 Ų | 156 | 36.2 Ų | 36.2 | 68% | 0.678 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 12.6 | 176.8 | -55.2 | 179.6 | -178.9 | 176.7 | 0 | 115.2 | L401 L402 K403 V464 | L401-K405 PolarHBondContact O-N 3.31Å; L402-K405 PolarHBondContact O-N 2.97Å; L402-K405 VanDerWaalsContact O-N 3.13Å; K403-K405 VanDerWaalsContact C-N 3.31Å; K405-V464 HydrophobicContact CG-CB 4.14Å; K405-V464 HydrophobicContact CG-CG2 4.15Å |
| 406 | I | 98.3 | Very high | 98.4 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | trans | -78.5 | 130.6 | 175.2 | -55.4 | -54.6 | 0 | 0 | 0 | 108.9 | L188 F195 I198 L401 S404 S465 | L188-I406 HydrophobicContact CD2-CD1 3.94Å; L188-I406 HydrophobicContact CD2-CG1 3.57Å; F195-I406 HydrophobicContact CB-CD1 4.49Å; F195-I406 HydrophobicContact CD1-CD1 3.49Å; F195-I406 VanDerWaalsContact CD1-CD1 3.49Å; F195-I406 HydrophobicContact CD1-CG1 4.13Å; F195-I406 HydrophobicContact CE1-CD1 3.74Å; F195-I406 HydrophobicContact CE1-CG1 3.88Å; F195-I406 HydrophobicContact CE1-CG2 4.24Å; F195-I406 HydrophobicContact CG-CD1 3.98Å; F195-I406 HydrophobicContact CZ-CD1 4.4Å; F195-I406 HydrophobicContact CZ-CG1 4.5Å; F195-I406 HydrophobicContact CZ-CG2 4.02Å; F195-I406 WeakPolarHBondContact O-CD1 3.26Å; I198-I406 HydrophobicContact CG2-CG2 4.26Å; L401-I406 HydrophobicContact CB-CB 4.25Å; L401-I406 HydrophobicContact CD2-CG1 4.31Å; L401-I406 WeakPolarHBondContact O-CB 3.29Å; L401-I406 PolarHBondContact O-N 3.08Å; L401-I406 VanDerWaalsContact O-N 3.13Å; S404-I406 PolarHBondContact O-N 3.24Å; I406-S465 WeakPolarHBondContact O-CB 3.42Å; I406-S465 PolarHBondContact O-OG 3.35Å | ||
| 407 | F | 98.3 | Very high | 98.3 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 16% | 0.158 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 139.6 | 172.8 | -171.9 | -80.3 | 0 | 0 | 0 | 109.9 | Q196 A197 I198 V468 L494 F497 | Q196-F407 PolarHBondContact O-N 3.26Å; A197-F407 CarbonylContact C-O 3.58Å; A197-F407 WeakPolarHBondContact CA-O 3.29Å; A197-F407 HydrophobicContact CB-CB 3.81Å; A197-F407 HydrophobicContact CB-CD1 4.33Å; A197-F407 VanDerWaalsContact CB-O 3.32Å; A197-F407 WeakPolarHBondContact CB-O 3.13Å; I198-F407 PolarHBondContact N-O 3.44Å; F407-V468 HydrophobicContact CE1-CB 4.44Å; F407-V468 HydrophobicContact CE1-CG2 4.11Å; F407-V468 HydrophobicContact CZ-CB 4.38Å; F407-V468 HydrophobicContact CZ-CG2 3.58Å; F407-L494 HydrophobicContact CD1-CD1 3.61Å; F407-L494 HydrophobicContact CE1-CD1 3.68Å; F407-F497 HydrophobicContact CB-CE1 3.71Å; F407-F497 HydrophobicContact CD1-CE1 4.38Å; F407-F497 HydrophobicContact CD2-CD1 4.11Å; F407-F497 HydrophobicContact CD2-CE1 4.05Å; F407-F497 HydrophobicContact CE2-CD1 4.45Å; F407-F497 HydrophobicContact CG-CD1 4.25Å; F407-F497 AromaticContact CG-CE1 3.81Å; F407-F497 HydrophobicContact CG-CE1 3.81Å |
| 408 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.5 | -177.9 | 177.8 | 0 | 0 | 0 | 0 | 110 | I198 Y398 L402 I410 S466 L467 V468 | I198-V408 HydrophobicContact CD1-CG1 4.12Å; I198-V408 HydrophobicContact CD1-CG2 4.1Å; I198-V408 HydrophobicContact CG1-CB 4.22Å; I198-V408 HydrophobicContact CG1-CG1 4.08Å; I198-V408 HydrophobicContact CG1-CG2 3.87Å; Y398-V408 HydrophobicContact CD1-CG1 3.75Å; Y398-V408 HydrophobicContact CD1-CG2 4.36Å; Y398-V408 HydrophobicContact CE1-CG1 3.63Å; L402-V408 HydrophobicContact CD2-CB 4.12Å; L402-V408 HydrophobicContact CD2-CG2 3.59Å; L402-V408 HydrophobicContact CG-CG2 3.99Å; V408-I410 HydrophobicContact CG1-CD1 4.43Å; V408-I410 HydrophobicContact CG1-CG1 4.02Å; V408-S466 PolarHBondContact N-O 2.93Å; V408-S466 VanDerWaalsContact N-O 3.08Å; V408-L467 HydrophobicContact CB-CB 4.29Å; V408-L467 HydrophobicContact CB-CD1 4Å; V408-L467 HydrophobicContact CB-CG 3.92Å; V408-L467 HydrophobicContact CG1-CD1 3.68Å; V408-L467 HydrophobicContact CG1-CG 3.85Å; V408-L467 CarbonylContact O-C 3.57Å; V408-L467 VanDerWaalsContact O-CA 3.31Å; V408-L467 WeakPolarHBondContact O-CA 3.24Å; V408-V468 PolarHBondContact O-N 3.28Å |
| 409 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.5 | 165.1 | 175.2 | 63.7 | 0 | 0 | 0 | 109.3 | I198 A199 V200 Y411 V468 T470 M490 I491 L494 F500 | I198-L409 PolarHBondContact O-N 3.06Å; A199-L409 CarbonylContact C-O 3.52Å; A199-L409 VanDerWaalsContact CA-O 3.23Å; A199-L409 WeakPolarHBondContact CA-O 3.11Å; A199-L409 HydrophobicContact CB-CB 4.04Å; A199-L409 HydrophobicContact CB-CD2 4.07Å; A199-L409 HydrophobicContact CB-CG 4.34Å; V200-L409 PolarHBondContact N-O 3.01Å; L409-Y411 HydrophobicContact CD2-CD1 4.13Å; L409-Y411 HydrophobicContact CG-CD1 4.1Å; L409-V468 WeakPolarHBondContact CA-O 3.29Å; L409-V468 HydrophobicContact CD1-CB 3.87Å; L409-V468 HydrophobicContact CD1-CG1 3.59Å; L409-T470 HydrophobicContact CD1-CG2 4Å; L409-M490 HydrophobicContact CD2-CG 3.82Å; L409-M490 HydrophobicContact CD2-SD 4.07Å; L409-I491 HydrophobicContact CD2-CD1 4.38Å; L409-L494 HydrophobicContact CB-CD1 4.19Å; L409-L494 HydrophobicContact CB-CD2 4.45Å; L409-L494 HydrophobicContact CD2-CB 4.4Å; L409-L494 HydrophobicContact CD2-CD2 4.01Å; L409-F500 HydrophobicContact CD1-CE1 4.32Å; L409-F500 HydrophobicContact CD1-CE2 4.32Å; L409-F500 HydrophobicContact CD1-CZ 3.68Å; L409-F500 HydrophobicContact CD2-CZ 4.08Å |
| 410 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124.9 | 166.7 | -61.1 | 178 | 0 | 0 | 0 | 106.8 | Y398 V408 D424 F427 V428 L467 V468 Y469 T470 | Y398-I410 HydrophobicContact CD1-CD1 4.36Å; Y398-I410 HydrophobicContact CE1-CD1 3.73Å; Y398-I410 HydrophobicContact CE1-CG1 4.08Å; V408-I410 HydrophobicContact CG1-CD1 4.43Å; V408-I410 HydrophobicContact CG1-CG1 4.02Å; I410-D424 HydrophobicContact CG2-CB 4.14Å; I410-F427 HydrophobicContact CD1-CD1 4.08Å; I410-F427 HydrophobicContact CD1-CE1 3.99Å; I410-V428 HydrophobicContact CD1-CG2 3.78Å; I410-L467 HydrophobicContact CD1-CD1 4.41Å; I410-V468 PolarHBondContact N-O 3.41Å; I410-Y469 HydrophobicContact CB-CD2 4.19Å; I410-Y469 HydrophobicContact CG2-CD2 3.97Å; I410-Y469 HydrophobicContact CG2-CE2 4.29Å; I410-Y469 CarbonylContact O-C 3.49Å; I410-Y469 WeakPolarHBondContact O-CA 3.46Å; I410-T470 PolarHBondContact O-N 3.11Å |
| 411 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.8 | 179.6 | 65.2 | -88.3 | 0 | 0 | 0 | 111.5 | A199 V200 G201 N202 L409 T470 V479 M490 | A199-Y411 HydrophobicContact CB-CE1 4.15Å; V200-Y411 WeakPolarHBondContact O-CD1 2.95Å; V200-Y411 PolarHBondContact O-N 3.09Å; G201-Y411 CarbonylContact C-O 3.55Å; G201-Y411 VanDerWaalsContact CA-O 3.26Å; G201-Y411 WeakPolarHBondContact CA-O 3.39Å; N202-Y411 PolarHBondContact N-O 3.26Å; L409-Y411 HydrophobicContact CD2-CD1 4.13Å; L409-Y411 HydrophobicContact CG-CD1 4.1Å; Y411-T470 CarbonylContact C-O 3.6Å; Y411-T470 WeakPolarHBondContact CA-O 3.26Å; Y411-V479 HydrophobicContact CD2-CB 4.2Å; Y411-V479 HydrophobicContact CD2-CG1 4.24Å; Y411-V479 HydrophobicContact CD2-CG2 3.96Å; Y411-V479 HydrophobicContact CE2-CB 3.93Å; Y411-V479 HydrophobicContact CE2-CG1 4.36Å; Y411-V479 HydrophobicContact CE2-CG2 3.9Å; Y411-M490 HydrophobicContact CD1-CE 3.84Å; Y411-M490 HydrophobicContact CD1-SD 4.29Å; Y411-M490 HydrophobicContact CD2-CE 3.41Å; Y411-M490 VanDerWaalsContact CD2-CE 3.41Å; Y411-M490 HydrophobicContact CD2-SD 4.46Å; Y411-M490 HydrophobicContact CE1-CE 4.26Å; Y411-M490 HydrophobicContact CE2-CE 3.9Å; Y411-M490 HydrophobicContact CG-CE 3.38Å; Y411-M490 HydrophobicContact CG-SD 3.91Å |
| 412 | N | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.1 | -179.8 | -67.1 | 80.9 | 0 | 0 | 0 | 111 | N202 D414 C419 D424 Y469 T470 T471 V472 | N202-N412 WeakPolarHBondContact OD1-CA 3.47Å; N412-D414 PolarHBondContact O-N 3.4Å; N412-C419 PolarHBondContact ND2-O 2.94Å; N412-C419 VanDerWaalsContact ND2-O 3.1Å; N412-D424 PolarHBondContact ND2-OD2 3.07Å; N412-D424 VanDerWaalsContact OD1-CB 3.31Å; N412-D424 WeakPolarHBondContact OD1-CB 3.48Å; N412-D424 PolarHBondContact OD1-OD2 3.4Å; N412-Y469 WeakPolarHBondContact OD1-CE2 3.22Å; N412-T470 PolarHBondContact N-O 3.03Å; N412-T471 CarbonylContact O-C 3.58Å; N412-T471 VanDerWaalsContact O-CA 3.24Å; N412-T471 WeakPolarHBondContact O-CA 3.42Å; N412-V472 PolarHBondContact O-N 3.44Å |
| 413 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 128.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N202 I415 A475 G476 | N202-G413 PolarHBondContact ND2-N 2.66Å; N202-G413 PolarHBondContact OD1-N 3.12Å; G413-I415 PolarHBondContact O-N 2.72Å; G413-A475 CarbonylContact C-O 3.56Å; G413-A475 WeakPolarHBondContact CA-O 3.5Å; G413-G476 WeakPolarHBondContact CA-O 3.28Å |
| 414 | D | 98.5 | Very high | 98 | Very high | 33 Ų | 33 | 19.4 Ų | 19.4 | 18% | 0.176 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 1.9 | -171.7 | 65.2 | 0.3 | 0 | 0 | 0 | 114.8 | N412 Y421 V472 R473 G474 A475 | N412-D414 PolarHBondContact O-N 3.4Å; D414-Y421 HydrophobicContact CB-CD1 3.99Å; D414-Y421 HydrophobicContact CB-CE1 4.37Å; D414-Y421 HydrophobicContact CB-CG 4.36Å; D414-V472 PolarHBondContact N-O 2.63Å; D414-R473 WeakPolarHBondContact OD2-CA 3.47Å; D414-G474 PolarHBondContact OD1-N 3.05Å; D414-A475 PolarHBondContact N-O 2.92Å; D414-A475 VanDerWaalsContact N-O 3.12Å |
| 415 | I | 98.3 | Very high | 98.1 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 7% | 0.067 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 10.8 | 176.1 | 63 | 170.3 | 0 | 0 | 0 | 113.2 | N274 L275 Y276 G413 A475 | N274-I415 WeakPolarHBondContact OD1-CD1 3.47Å; L275-I415 PolarHBondContact N-O 2.93Å; Y276-I415 HydrophobicContact CD2-CB 3.99Å; Y276-I415 HydrophobicContact CD2-CD1 3.78Å; Y276-I415 HydrophobicContact CD2-CG1 4.49Å; Y276-I415 HydrophobicContact CD2-CG2 3.61Å; Y276-I415 HydrophobicContact CE2-CB 4.08Å; Y276-I415 HydrophobicContact CE2-CG2 3.35Å; G413-I415 PolarHBondContact O-N 2.72Å; I415-A475 WeakPolarHBondContact CG1-O 3.47Å; I415-A475 PolarHBondContact N-O 3.3Å |
| 416 | D | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | -77.8 | 137.7 | 170.4 | 178.1 | 31.3 | 0 | 0 | 0 | 111.6 | N202 A418 C419 N420 H477 | N202-D416 WeakPolarHBondContact ND2-CB 3.49Å; N202-D416 VanDerWaalsContact ND2-CG 3.31Å; N202-D416 PolarHBondContact ND2-OD2 3.28Å; D416-A418 WeakPolarHBondContact OD1-CB 3.2Å; D416-A418 PolarHBondContact OD1-N 2.93Å; D416-C419 WeakPolarHBondContact OD2-CA 3.07Å; D416-C419 PolarHBondContact OD2-N 3.07Å; D416-C419 VanDerWaalsContact OD2-O 3.05Å; D416-N420 VanDerWaalsContact O-CA 3.3Å; D416-N420 WeakPolarHBondContact O-CA 3.07Å; D416-N420 VanDerWaalsContact O-CB 3.23Å; D416-N420 WeakPolarHBondContact O-CB 3.26Å; D416-H477 HydrophobicContact CB-CB 4.48Å; D416-H477 VanDerWaalsContact CG-ND1 3.28Å; D416-H477 IonicContact OD1-CG 2.82Å; D416-H477 IonicContact OD1-ND1 3.95Å; D416-H477 PolarHBondContact OD1-ND1 2.82Å; D416-H477 IonicContact OD2-CE1 3.82Å; D416-H477 IonicContact OD2-CG 3.77Å; D416-H477 IonicContact OD2-ND1 2.73Å; D416-H477 PolarHBondContact OD2-ND1 2.65Å | ||
| 417 | M | 97.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -108.5 | -16.7 | 175 | -62.4 | -171.2 | -70.2 | 0 | 0 | 112.9 | L214 F217 L223 M267 L270 N271 E272 L275 | L214-M417 HydrophobicContact CD1-CB 3.87Å; L214-M417 HydrophobicContact CD1-CG 4.36Å; L214-M417 WeakPolarHBondContact CD1-O 3.28Å; F217-M417 HydrophobicContact CD1-CG 3.83Å; F217-M417 HydrophobicContact CD1-SD 4.17Å; F217-M417 HydrophobicContact CE1-CG 3.48Å; F217-M417 VanDerWaalsContact CE1-CG 3.48Å; F217-M417 HydrophobicContact CE1-SD 3.95Å; F217-M417 HydrophobicContact CZ-CG 4.15Å; L223-M417 HydrophobicContact CD1-SD 3.89Å; M267-M417 HydrophobicContact CE-CB 3.86Å; M267-M417 HydrophobicContact CE-CE 3.72Å; M267-M417 HydrophobicContact CE-SD 4.15Å; M267-M417 HydrophobicContact SD-CB 4.39Å; M267-M417 HydrophobicContact SD-CE 3.81Å; M267-M417 HydrophobicContact SD-SD 3.73Å; L270-M417 HydrophobicContact CB-CE 4.28Å; N271-M417 WeakPolarHBondContact O-CE 3.43Å; E272-M417 WeakPolarHBondContact O-CA 3.14Å; E272-M417 WeakPolarHBondContact O-CB 3.05Å; E272-M417 PolarHBondContact O-N 3.25Å; L275-M417 HydrophobicContact CB-CE 4.1Å; L275-M417 HydrophobicContact CB-SD 4.33Å; L275-M417 HydrophobicContact CD1-CE 3.71Å; L275-M417 HydrophobicContact CD1-SD 3.93Å; L275-M417 HydrophobicContact CG-CE 4.49Å |
| 418 | A | 96.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 10.5 Ų | 10.5 | 10% | 0.099 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -72.9 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N210 E272 Y273 D416 | N210-A418 PolarHBondContact ND2-O 3.5Å; E272-A418 PolarHBondContact O-N 3.1Å; Y273-A418 HydrophobicContact CD1-CB 3.75Å; Y273-A418 HydrophobicContact CE1-CB 3.73Å; D416-A418 WeakPolarHBondContact OD1-CB 3.2Å; D416-A418 PolarHBondContact OD1-N 2.93Å |
| 419 | C | 98 | Very high | 98 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 3% | 0.034 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -134.8 | 67.6 | 174.4 | -68.3 | 0 | 0 | 0 | 0 | 109.3 | N202 N210 N412 D416 | N202-C419 HydrophobicContact CB-CB 4.19Å; N202-C419 PolarHBondContact ND2-O 3.31Å; N202-C419 WeakPolarHBondContact O-CB 3.47Å; N202-C419 PolarHBondContact O-SG 3.3Å; N210-C419 WeakPolarHBondContact OD1-CA 3.26Å; N412-C419 PolarHBondContact ND2-O 2.94Å; N412-C419 VanDerWaalsContact ND2-O 3.1Å; D416-C419 WeakPolarHBondContact OD2-CA 3.07Å; D416-C419 PolarHBondContact OD2-N 3.07Å; D416-C419 VanDerWaalsContact OD2-O 3.05Å |
| 420 | N | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -62.2 | 147.1 | -169.1 | 68.9 | 86.5 | 0 | 0 | 0 | 112.7 | N210 S213 L214 F217 D416 F422 G423 | N210-N420 PolarHBondContact O-ND2 3.21Å; N210-N420 PolarHBondContact OD1-N 3.19Å; N210-N420 PolarHBondContact OD1-ND2 2.93Å; S213-N420 WeakPolarHBondContact CB-OD1 3.43Å; S213-N420 PolarHBondContact OG-ND2 2.57Å; S213-N420 PolarHBondContact OG-OD1 3.01Å; L214-N420 PolarHBondContact N-ND2 3.19Å; F217-N420 HydrophobicContact CD2-CB 3.94Å; F217-N420 HydrophobicContact CE2-CB 4.38Å; D416-N420 VanDerWaalsContact O-CA 3.3Å; D416-N420 WeakPolarHBondContact O-CA 3.07Å; D416-N420 VanDerWaalsContact O-CB 3.23Å; D416-N420 WeakPolarHBondContact O-CB 3.26Å; N420-F422 PolarHBondContact O-N 3.13Å; N420-F422 VanDerWaalsContact O-N 3.13Å; N420-F422 WeakPolarHBondContact OD1-CB 3.47Å; N420-F422 PolarHBondContact OD1-N 2.91Å; N420-G423 PolarHBondContact O-N 2.89Å; N420-G423 PolarHBondContact OD1-N 3.06Å; N420-G423 VanDerWaalsContact OD1-N 3.08Å | ||
| 421 | Y | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 17.9 Ų | 17.9 | 14% | 0.141 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.4 | -33.5 | -175.6 | 82.8 | -87.1 | 0 | 0 | 0 | 113.7 | F217 D414 G423 D424 E425 Y469 T471 | F217-Y421 HydrophobicContact CD2-CE1 4.37Å; F217-Y421 HydrophobicContact CE2-CD1 4.21Å; F217-Y421 HydrophobicContact CE2-CE1 4.12Å; D414-Y421 HydrophobicContact CB-CD1 3.99Å; D414-Y421 HydrophobicContact CB-CE1 4.37Å; D414-Y421 HydrophobicContact CB-CG 4.36Å; Y421-G423 VanDerWaalsContact C-N 3.31Å; Y421-G423 PolarHBondContact O-N 2.93Å; Y421-D424 PolarHBondContact O-N 3.25Å; Y421-E425 WeakPolarHBondContact O-CB 2.98Å; Y421-E425 PolarHBondContact O-N 3.26Å; Y421-Y469 PolarHBondContact O-OH 3.35Å; Y421-T471 HydrophobicContact CD2-CG2 3.91Å; Y421-T471 HydrophobicContact CG-CG2 4.24Å |
| 422 | F | 95.2 | Very high | 97.8 | Very high | 49 Ų | 49 | 24.6 Ų | 24.6 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 179.2 | -78.3 | -60.7 | 0 | 0 | 0 | 111.8 | F217 N420 E425 W426 | F217-F422 HydrophobicContact CB-CD2 4.46Å; F217-F422 HydrophobicContact CD2-CD2 4.06Å; F217-F422 HydrophobicContact CD2-CE2 4.4Å; N420-F422 PolarHBondContact O-N 3.13Å; N420-F422 VanDerWaalsContact O-N 3.13Å; N420-F422 WeakPolarHBondContact OD1-CB 3.47Å; N420-F422 PolarHBondContact OD1-N 2.91Å; F422-E425 PolarHBondContact O-N 2.77Å; F422-W426 VanDerWaalsContact O-CD1 3.32Å; F422-W426 VanDerWaalsContact O-CG 3.25Å; F422-W426 PolarHBondContact O-N 3.39Å |
| 423 | G | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S213 N420 Y421 W426 F427 | S213-G423 WeakPolarHBondContact OG-CA 3.24Å; S213-G423 PolarHBondContact OG-N 2.87Å; S213-G423 VanDerWaalsContact OG-N 3.13Å; N420-G423 PolarHBondContact O-N 2.89Å; N420-G423 PolarHBondContact OD1-N 3.06Å; N420-G423 VanDerWaalsContact OD1-N 3.08Å; Y421-G423 VanDerWaalsContact C-N 3.31Å; Y421-G423 PolarHBondContact O-N 2.93Å; G423-W426 PolarHBondContact O-N 2.8Å; G423-F427 PolarHBondContact O-N 2.97Å |
| 424 | D | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.5 | -31.1 | 175.6 | -84.8 | -34.5 | 0 | 0 | 0 | 112.6 | G203 T205 I410 N412 Y421 F427 V428 Y469 | G203-D424 PolarHBondContact N-OD2 3.47Å; G203-D424 VanDerWaalsContact O-OD2 3.07Å; T205-D424 WeakPolarHBondContact CB-OD1 3.43Å; T205-D424 WeakPolarHBondContact CG2-OD1 2.94Å; T205-D424 PolarHBondContact OG1-OD1 2.6Å; I410-D424 HydrophobicContact CG2-CB 4.14Å; N412-D424 PolarHBondContact ND2-OD2 3.07Å; N412-D424 VanDerWaalsContact OD1-CB 3.31Å; N412-D424 WeakPolarHBondContact OD1-CB 3.48Å; N412-D424 PolarHBondContact OD1-OD2 3.4Å; Y421-D424 PolarHBondContact O-N 3.25Å; D424-F427 WeakPolarHBondContact O-CB 3.33Å; D424-F427 PolarHBondContact O-N 3.36Å; D424-V428 WeakPolarHBondContact O-CG2 3.43Å; D424-V428 PolarHBondContact O-N 3.28Å; D424-Y469 HydrophobicContact CB-CE2 4.09Å |
| 425 | E | 98 | Very high | 97.6 | Very high | 21 Ų | 21 | 32 Ų | 32 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 172.1 | -167.5 | 162 | -162.6 | 0 | 0 | 111.3 | Y421 F422 F427 V428 D429 R439 K458 Y469 | Y421-E425 WeakPolarHBondContact O-CB 2.98Å; Y421-E425 PolarHBondContact O-N 3.26Å; F422-E425 PolarHBondContact O-N 2.77Å; E425-F427 VanDerWaalsContact C-N 3.32Å; E425-F427 PolarHBondContact O-N 2.95Å; E425-V428 PolarHBondContact O-N 2.89Å; E425-D429 PolarHBondContact O-N 2.6Å; E425-R439 IonicContact OE1-CZ 2.67Å; E425-R439 IonicContact OE1-NH1 3.82Å; E425-R439 PolarHBondContact OE1-NH1 3.06Å; E425-R439 IonicContact OE2-CZ 3.66Å; E425-R439 IonicContact OE2-NH1 3.26Å; E425-R439 PolarHBondContact OE2-NH1 2.98Å; E425-R439 IonicContact OE2-NH2 3.11Å; E425-K458 VanDerWaalsContact CG-NZ 3.34Å; E425-K458 IonicContact OE1-NZ 3.02Å; E425-K458 PolarHBondContact OE1-NZ 3.38Å; E425-Y469 HydrophobicContact CB-CE1 3.78Å; E425-Y469 HydrophobicContact CB-CE2 4.33Å; E425-Y469 HydrophobicContact CG-CD1 4.26Å; E425-Y469 HydrophobicContact CG-CE1 3.71Å |
| 426 | W | 97.7 | Very high | 97.5 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.1 | -68.3 | -1.3 | 0 | 0 | 0 | 112 | F209 N212 Y216 V244 M246 F422 G423 D429 N430 | F209-W426 HydrophobicContact CB-CB 4.32Å; F209-W426 HydrophobicContact CB-CE3 4.28Å; F209-W426 HydrophobicContact CD1-CE3 4.27Å; F209-W426 HydrophobicContact CD2-CB 4.26Å; F209-W426 HydrophobicContact CG-CB 4.14Å; N212-W426 HydrophobicContact CB-CZ3 4.06Å; Y216-W426 AromaticContact CD2-CH2 3.71Å; Y216-W426 HydrophobicContact CD2-CH2 3.71Å; Y216-W426 HydrophobicContact CD2-CZ2 4.34Å; Y216-W426 AromaticContact CE2-CH2 3.88Å; Y216-W426 HydrophobicContact CE2-CH2 3.88Å; Y216-W426 HydrophobicContact CG-CH2 4.44Å; V244-W426 HydrophobicContact CG1-CE3 4.49Å; V244-W426 HydrophobicContact CG1-CH2 3.59Å; V244-W426 HydrophobicContact CG1-CZ2 3.75Å; V244-W426 HydrophobicContact CG1-CZ3 3.99Å; M246-W426 HydrophobicContact CE-CE3 3.92Å; M246-W426 HydrophobicContact CE-CZ3 3.92Å; F422-W426 VanDerWaalsContact O-CD1 3.32Å; F422-W426 VanDerWaalsContact O-CG 3.25Å; F422-W426 PolarHBondContact O-N 3.39Å; G423-W426 PolarHBondContact O-N 2.8Å; W426-D429 PolarHBondContact O-N 2.97Å; W426-N430 VanDerWaalsContact O-CB 3.29Å; W426-N430 WeakPolarHBondContact O-CB 3.43Å; W426-N430 PolarHBondContact O-N 3.3Å |
| 427 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 172.7 | 172.6 | -105.4 | 0 | 0 | 0 | 111.4 | T205 N206 F209 L394 Y398 I410 G423 D424 E425 D429 N430 L431 | T205-F427 HydrophobicContact CG2-CD1 4.07Å; T205-F427 HydrophobicContact CG2-CE1 4.15Å; T205-F427 WeakPolarHBondContact OG1-CG 3.35Å; N206-F427 HydrophobicContact CB-CD2 3.97Å; F209-F427 HydrophobicContact CD2-CB 4.06Å; L394-F427 HydrophobicContact CB-CZ 4.47Å; Y398-F427 HydrophobicContact CD1-CE1 4.4Å; Y398-F427 AromaticContact CD2-CE1 3.7Å; Y398-F427 HydrophobicContact CD2-CE1 3.7Å; Y398-F427 AromaticContact CD2-CZ 3.41Å; Y398-F427 HydrophobicContact CD2-CZ 3.41Å; Y398-F427 VanDerWaalsContact CD2-CZ 3.41Å; Y398-F427 AromaticContact CE2-CE1 3.85Å; Y398-F427 HydrophobicContact CE2-CE1 3.85Å; Y398-F427 AromaticContact CE2-CZ 3.89Å; Y398-F427 HydrophobicContact CE2-CZ 3.89Å; Y398-F427 AromaticContact CG-CE1 3.97Å; Y398-F427 HydrophobicContact CG-CE1 3.97Å; Y398-F427 AromaticContact CG-CZ 3.88Å; Y398-F427 HydrophobicContact CG-CZ 3.88Å; I410-F427 HydrophobicContact CD1-CD1 4.08Å; I410-F427 HydrophobicContact CD1-CE1 3.99Å; G423-F427 PolarHBondContact O-N 2.97Å; D424-F427 WeakPolarHBondContact O-CB 3.33Å; D424-F427 PolarHBondContact O-N 3.36Å; E425-F427 VanDerWaalsContact C-N 3.32Å; E425-F427 PolarHBondContact O-N 2.95Å; F427-D429 VanDerWaalsContact C-N 3.34Å; F427-D429 PolarHBondContact O-N 3.33Å; F427-N430 WeakPolarHBondContact O-CB 3.33Å; F427-N430 PolarHBondContact O-N 3.43Å; F427-L431 HydrophobicContact CE1-CD1 4.23Å; F427-L431 HydrophobicContact CE2-CD2 4.41Å; F427-L431 HydrophobicContact CZ-CD2 4.07Å; F427-L431 PolarHBondContact O-N 3.08Å |
| 428 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 179 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | I410 D424 E425 N430 L431 L460 L467 Y469 | I410-V428 HydrophobicContact CD1-CG2 3.78Å; D424-V428 WeakPolarHBondContact O-CG2 3.43Å; D424-V428 PolarHBondContact O-N 3.28Å; E425-V428 PolarHBondContact O-N 2.89Å; V428-N430 VanDerWaalsContact C-N 3.31Å; V428-N430 PolarHBondContact O-N 3.5Å; V428-L431 WeakPolarHBondContact O-CB 3.47Å; V428-L431 PolarHBondContact O-N 2.85Å; V428-L460 HydrophobicContact CG1-CD1 3.66Å; V428-L460 HydrophobicContact CG1-CD2 4.17Å; V428-L467 HydrophobicContact CG1-CD2 3.79Å; V428-L467 HydrophobicContact CG2-CD2 3.98Å; V428-Y469 HydrophobicContact CG2-CD2 3.91Å; V428-Y469 HydrophobicContact CG2-CG 4.19Å |
| 429 | D | 96.5 | Very high | 97.2 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.6 | -35.3 | 178.1 | -70.5 | -26.2 | 0 | 0 | 0 | 111.8 | E425 W426 F427 L431 N432 K458 | E425-D429 PolarHBondContact O-N 2.6Å; W426-D429 PolarHBondContact O-N 2.97Å; F427-D429 VanDerWaalsContact C-N 3.34Å; F427-D429 PolarHBondContact O-N 3.33Å; D429-L431 PolarHBondContact O-N 3.33Å; D429-N432 PolarHBondContact O-N 3.02Å; D429-N432 VanDerWaalsContact O-N 3.09Å; D429-K458 VanDerWaalsContact CG-NZ 3.26Å; D429-K458 IonicContact OD1-NZ 3.85Å; D429-K458 PolarHBondContact OD1-NZ 3.1Å; D429-K458 IonicContact OD2-NZ 3.31Å; D429-K458 PolarHBondContact OD2-NZ 2.92Å |
| 430 | N | 96.8 | Very high | 97.2 | Very high | 68 Ų | 68 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.7 | -19.8 | 176.3 | -173.7 | 74.4 | 0 | 0 | 0 | 113.6 | F209 W426 F427 V428 N432 | F209-N430 HydrophobicContact CE2-CB 3.72Å; F209-N430 HydrophobicContact CZ-CB 3.96Å; W426-N430 VanDerWaalsContact O-CB 3.29Å; W426-N430 WeakPolarHBondContact O-CB 3.43Å; W426-N430 PolarHBondContact O-N 3.3Å; F427-N430 WeakPolarHBondContact O-CB 3.33Å; F427-N430 PolarHBondContact O-N 3.43Å; V428-N430 VanDerWaalsContact C-N 3.31Å; V428-N430 PolarHBondContact O-N 3.5Å; N430-N432 PolarHBondContact O-N 2.64Å; N430-N432 PolarHBondContact O-ND2 3.05Å |
| 431 | L | 98 | Very high | 97.1 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15 | 173.1 | -60.1 | 172.6 | 0 | 0 | 0 | 112.8 | T395 M399 F427 V428 D429 L433 L467 | T395-L431 HydrophobicContact CG2-CD2 4.05Å; M399-L431 HydrophobicContact CG-CD2 4.03Å; M399-L431 HydrophobicContact SD-CB 4.23Å; M399-L431 HydrophobicContact SD-CD2 4.08Å; F427-L431 HydrophobicContact CE1-CD1 4.23Å; F427-L431 HydrophobicContact CE2-CD2 4.41Å; F427-L431 HydrophobicContact CZ-CD2 4.07Å; F427-L431 PolarHBondContact O-N 3.08Å; V428-L431 WeakPolarHBondContact O-CB 3.47Å; V428-L431 PolarHBondContact O-N 2.85Å; D429-L431 PolarHBondContact O-N 3.33Å; L431-L433 HydrophobicContact CB-CD1 4.28Å; L431-L433 HydrophobicContact CB-CD2 4.49Å; L431-L433 HydrophobicContact CB-CG 3.87Å; L431-L433 HydrophobicContact CD1-CD1 4.31Å; L431-L433 PolarHBondContact O-N 3.03Å; L431-L467 HydrophobicContact CD1-CD1 3.73Å |
| 432 | N | 96.8 | Very high | 97.1 | Very high | 142 Ų | 142 | 50 Ų | 50 | 76% | 0.759 | 27% | 0.272 | S | S | * | . | trans | 53.3 | 38.6 | 178.7 | -66.8 | -58 | 0 | 0 | 0 | 113.7 | D429 N430 | D429-N432 PolarHBondContact O-N 3.02Å; D429-N432 VanDerWaalsContact O-N 3.09Å; N430-N432 PolarHBondContact O-N 2.64Å; N430-N432 PolarHBondContact O-ND2 3.05Å | ||
| 433 | L | 97.7 | Very high | 97.2 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 157.3 | 176 | -59.1 | -179 | 0 | 0 | 0 | 111.3 | M399 L402 L431 T435 L460 A462 L467 | M399-L433 HydrophobicContact CE-CD2 4.14Å; M399-L433 HydrophobicContact SD-CD2 3.94Å; L402-L433 HydrophobicContact CD1-CD1 3.68Å; L402-L433 HydrophobicContact CD1-CD2 4.27Å; L431-L433 HydrophobicContact CB-CD1 4.28Å; L431-L433 HydrophobicContact CB-CD2 4.49Å; L431-L433 HydrophobicContact CB-CG 3.87Å; L431-L433 HydrophobicContact CD1-CD1 4.31Å; L431-L433 PolarHBondContact O-N 3.03Å; L433-T435 PolarHBondContact O-N 2.71Å; L433-L460 HydrophobicContact CB-CB 3.72Å; L433-L460 HydrophobicContact CB-CD2 4.02Å; L433-L460 HydrophobicContact CD1-CB 4.08Å; L433-A462 HydrophobicContact CD2-CB 3.82Å; L433-L467 HydrophobicContact CD1-CB 3.93Å; L433-L467 HydrophobicContact CD1-CD1 4.25Å |
| 434 | T | 97.8 | Very high | 97.1 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.6 | 178.1 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | I436 L460 S461 | T434-I436 HydrophobicContact CG2-CD1 4.31Å; T434-I436 PolarHBondContact O-N 2.91Å; T434-L460 CarbonylContact O-C 3.5Å; T434-L460 WeakPolarHBondContact O-CA 3.42Å; T434-S461 PolarHBondContact N-O 2.75Å; T434-S461 VanDerWaalsContact N-O 3.11Å; T434-S461 PolarHBondContact O-N 2.87Å |
| 435 | T | 97.2 | Very high | 97 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 119.7 | 174 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | L433 | L433-T435 PolarHBondContact O-N 2.71Å |
| 436 | I | 96.1 | Very high | 96.7 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 52% | 0.523 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -44 | 175.5 | -57.7 | -57.9 | 0 | 0 | 0 | 110.6 | T434 L459 | T434-I436 HydrophobicContact CG2-CD1 4.31Å; T434-I436 PolarHBondContact O-N 2.91Å; I436-L459 HydrophobicContact CB-CB 4.44Å; I436-L459 HydrophobicContact CB-CD2 4.11Å; I436-L459 HydrophobicContact CB-CG 4.14Å; I436-L459 HydrophobicContact CG2-CD2 3.99Å; I436-L459 PolarHBondContact N-O 3.43Å |
| 437 | S | 95 | Very high | 96.4 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.9 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | L459 | S437-L459 PolarHBondContact N-O 2.96Å; S437-L459 VanDerWaalsContact N-O 3.16Å; S437-L459 PolarHBondContact O-N 3.45Å; S437-L459 VanDerWaalsContact O-N 3.08Å |
| 438 | P | 94.6 | Very high | 96.2 | Very high | 88 Ų | 88 | 67.9 Ų | 67.9 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 166.3 | 176.8 | 31.4 | -35.7 | 0 | 0 | 0 | 110.8 | S440 | P438-S440 PolarHBondContact O-N 3.4Å; P438-S440 VanDerWaalsContact O-N 3.15Å; P438-S440 PolarHBondContact O-OG 3.39Å |
| 439 | R | 96.2 | Very high | 96 | Very high | 113 Ų | 113 | 70.4 Ų | 70.4 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 120.1 | -178.5 | -169.8 | 172.7 | -174.2 | 154.2 | 0.5 | 111.2 | E425 W457 | E425-R439 IonicContact OE1-CZ 2.67Å; E425-R439 IonicContact OE1-NH1 3.82Å; E425-R439 PolarHBondContact OE1-NH1 3.06Å; E425-R439 IonicContact OE2-CZ 3.66Å; E425-R439 IonicContact OE2-NH1 3.26Å; E425-R439 PolarHBondContact OE2-NH1 2.98Å; E425-R439 IonicContact OE2-NH2 3.11Å; R439-W457 CarbonylContact C-O 3.6Å; R439-W457 VanDerWaalsContact CA-O 3.24Å; R439-W457 WeakPolarHBondContact CA-O 3.08Å |
| 440 | S | 97.1 | Very high | 96 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.7 | -176.9 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | P438 Y456 W457 | P438-S440 PolarHBondContact O-N 3.4Å; P438-S440 VanDerWaalsContact O-N 3.15Å; P438-S440 PolarHBondContact O-OG 3.39Å; S440-Y456 CarbonylContact O-C 3.48Å; S440-Y456 WeakPolarHBondContact O-CA 3.23Å; S440-W457 PolarHBondContact N-O 2.96Å; S440-W457 PolarHBondContact O-N 3.1Å |
| 441 | P | 97.6 | Very high | 96 | Very high | 68 Ų | 68 | 73.5 Ų | 73.5 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 139.8 | 172.4 | 29 | -33.6 | 0 | 0 | 0 | 110.2 | I453 G455 Y456 | P441-I453 HydrophobicContact CB-CD1 4.41Å; P441-I453 HydrophobicContact CB-CG1 4.4Å; P441-I453 HydrophobicContact CB-CG2 4.13Å; P441-G455 VanDerWaalsContact CA-O 3.29Å; P441-G455 WeakPolarHBondContact CA-O 3.36Å; P441-Y456 HydrophobicContact CB-CD1 4.27Å; P441-Y456 HydrophobicContact CB-CE1 4.12Å |
| 442 | W | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150 | 166.9 | 64.8 | -83.5 | 0 | 0 | 0 | 110.3 | G454 G455 W457 T470 T471 V472 A486 M490 F500 | W442-G454 VanDerWaalsContact CZ2-C 3.45Å; W442-G454 WeakPolarHBondContact CZ2-O 3.38Å; W442-G454 PolarHBondContact O-N 2.89Å; W442-G455 VanDerWaalsContact CD1-O 3.28Å; W442-G455 PolarHBondContact N-O 3.49Å; W442-W457 HydrophobicContact CB-CG 4.32Å; W442-T470 PolarHBondContact NE1-OG1 3.44Å; W442-T471 PolarHBondContact NE1-O 3.42Å; W442-V472 HydrophobicContact CZ2-CG1 4.41Å; W442-V472 HydrophobicContact CZ2-CG2 4.12Å; W442-A486 HydrophobicContact CH2-CB 3.72Å; W442-A486 WeakPolarHBondContact CH2-O 3.06Å; W442-A486 HydrophobicContact CZ3-CB 4.41Å; W442-M490 HydrophobicContact CH2-CB 4.28Å; W442-M490 HydrophobicContact CZ3-CB 4.46Å; W442-F500 HydrophobicContact CB-CB 4.14Å; W442-F500 WeakPolarHBondContact CB-OXT 3.2Å |
| 443 | L | 97 | Very high | 96 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 37% | 0.366 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.8 | -176 | -58.1 | 179.3 | 0 | 0 | 0 | 111 | K451 Q452 I453 R493 | L443-K451 HydrophobicContact CD1-CD 4.22Å; L443-Q452 VanDerWaalsContact CA-O 3.32Å; L443-Q452 WeakPolarHBondContact CA-O 3.06Å; L443-I453 HydrophobicContact CD2-CG1 3.93Å; L443-R493 PolarHBondContact O-NH1 3.02Å; L443-R493 PolarHBondContact O-NH2 3.44Å |
| 444 | Y | 96.3 | Very high | 96 | Very high | 21 Ų | 21 | 71.6 Ų | 71.6 | 8% | 0.082 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 166.1 | 166.5 | 77.2 | -79.5 | 0 | 0 | 0 | 110.2 | E446 K451 Q452 A485 A486 | Y444-E446 HydrophobicContact CE2-CB 4.1Å; Y444-E446 WeakPolarHBondContact CE2-OE2 3.27Å; Y444-E446 PolarHBondContact OH-OE2 3.46Å; Y444-K451 WeakPolarHBondContact O-CA 3.27Å; Y444-Q452 HydrophobicContact CD1-CB 4.15Å; Y444-Q452 WeakPolarHBondContact CD1-O 3.15Å; Y444-Q452 HydrophobicContact CE1-CB 3.52Å; Y444-Q452 PolarHBondContact N-O 2.64Å; Y444-Q452 PolarHBondContact O-N 3.28Å; Y444-A485 HydrophobicContact CD2-CB 4.07Å; Y444-A485 HydrophobicContact CE2-CB 3.87Å; Y444-A486 HydrophobicContact CD1-CB 3.84Å; Y444-A486 HydrophobicContact CD2-CB 4.12Å; Y444-A486 HydrophobicContact CE1-CB 3.99Å; Y444-A486 HydrophobicContact CE2-CB 4.28Å; Y444-A486 HydrophobicContact CG-CB 3.9Å |
| 445 | V | 95.7 | Very high | 96 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.5 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 108 | T450 K451 H489 | V445-T450 WeakPolarHBondContact CA-O 3.39Å; V445-K451 HydrophobicContact CG2-CG 4.48Å; V445-H489 PolarHBondContact O-NE2 3.37Å |
| 446 | E | 93.4 | Very high | 96.1 | Very high | 60 Ų | 60 | 68.2 Ų | 68.2 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | trans | -78.1 | 168 | 177.9 | -169.4 | 53.6 | -94.9 | 0 | 0 | 110.9 | Y444 D448 G449 T450 Q452 | Y444-E446 HydrophobicContact CE2-CB 4.1Å; Y444-E446 WeakPolarHBondContact CE2-OE2 3.27Å; Y444-E446 PolarHBondContact OH-OE2 3.46Å; E446-D448 PolarHBondContact O-N 2.98Å; E446-G449 PolarHBondContact O-N 2.88Å; E446-T450 PolarHBondContact N-O 3.5Å; E446-Q452 HydrophobicContact CB-CG 4.23Å | ||
| 447 | K | 90.6 | Very high | 96.2 | Very high | 176 Ų | 176 | 64.7 Ų | 64.7 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -31 | 179.6 | -166.7 | 174.8 | 177 | 178.6 | 0 | 114.3 | Y111 G449 | Y111-K447 WeakPolarHBondContact OH-CB 3.19Å; K447-G449 VanDerWaalsContact C-N 3.26Å; K447-G449 PolarHBondContact O-N 2.76Å |
| 448 | D | 94 | Very high | 96.3 | Very high | 114 Ų | 114 | 63.9 Ų | 63.9 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.5 | 179 | 67.9 | 1.7 | 0 | 0 | 0 | 113.9 | E446 T450 | E446-D448 PolarHBondContact O-N 2.98Å; D448-T450 VanDerWaalsContact C-N 3.31Å; D448-T450 VanDerWaalsContact OD1-CB 3.28Å; D448-T450 WeakPolarHBondContact OD1-CB 3.32Å; D448-T450 WeakPolarHBondContact OD1-CG2 3.48Å; D448-T450 PolarHBondContact OD1-N 3.2Å; D448-T450 PolarHBondContact OD1-OG1 3.06Å; D448-T450 PolarHBondContact OD2-OG1 3.04Å |
| 449 | G | 94.4 | Very high | 96.4 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 55% | 0.546 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 83.4 | -0.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E446 K447 | E446-G449 PolarHBondContact O-N 2.88Å; K447-G449 VanDerWaalsContact C-N 3.26Å; K447-G449 PolarHBondContact O-N 2.76Å |
| 450 | T | 96.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | trans | -78 | 147.2 | 178.7 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | V445 E446 D448 Q452 | V445-T450 WeakPolarHBondContact CA-O 3.39Å; E446-T450 PolarHBondContact N-O 3.5Å; D448-T450 VanDerWaalsContact C-N 3.31Å; D448-T450 VanDerWaalsContact OD1-CB 3.28Å; D448-T450 WeakPolarHBondContact OD1-CB 3.32Å; D448-T450 WeakPolarHBondContact OD1-CG2 3.48Å; D448-T450 PolarHBondContact OD1-N 3.2Å; D448-T450 PolarHBondContact OD1-OG1 3.06Å; D448-T450 PolarHBondContact OD2-OG1 3.04Å; T450-Q452 PolarHBondContact OG1-NE2 3.44Å | ||
| 451 | K | 96.8 | Very high | 96.5 | Very high | 154 Ų | 154 | 55.2 Ų | 55.2 | 67% | 0.67 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 128.3 | 171.5 | -70.4 | -177.3 | 179.8 | -178.3 | 0 | 109.6 | L443 Y444 V445 | L443-K451 HydrophobicContact CD1-CD 4.22Å; Y444-K451 WeakPolarHBondContact O-CA 3.27Å; V445-K451 HydrophobicContact CG2-CG 4.48Å |
| 452 | Q | 97.5 | Very high | 96.4 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.2 | 176.9 | -64.4 | -61.6 | -30.1 | 0 | 0 | 110.2 | L443 Y444 E446 T450 G454 | L443-Q452 VanDerWaalsContact CA-O 3.32Å; L443-Q452 WeakPolarHBondContact CA-O 3.06Å; Y444-Q452 HydrophobicContact CD1-CB 4.15Å; Y444-Q452 WeakPolarHBondContact CD1-O 3.15Å; Y444-Q452 HydrophobicContact CE1-CB 3.52Å; Y444-Q452 PolarHBondContact N-O 2.64Å; Y444-Q452 PolarHBondContact O-N 3.28Å; E446-Q452 HydrophobicContact CB-CG 4.23Å; T450-Q452 PolarHBondContact OG1-NE2 3.44Å; Q452-G454 PolarHBondContact O-N 2.79Å |
| 453 | I | 97.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 59.7 Ų | 59.7 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 116.1 | 170.3 | -64.6 | 174.6 | 0 | 0 | 0 | 107.9 | P441 L443 R473 | P441-I453 HydrophobicContact CB-CD1 4.41Å; P441-I453 HydrophobicContact CB-CG1 4.4Å; P441-I453 HydrophobicContact CB-CG2 4.13Å; L443-I453 HydrophobicContact CD2-CG1 3.93Å; I453-R473 PolarHBondContact O-NE 2.9Å; I453-R473 PolarHBondContact O-NH2 3.46Å |
| 454 | G | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -24.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W442 Q452 V472 R473 | W442-G454 VanDerWaalsContact CZ2-C 3.45Å; W442-G454 WeakPolarHBondContact CZ2-O 3.38Å; W442-G454 PolarHBondContact O-N 2.89Å; Q452-G454 PolarHBondContact O-N 2.79Å; G454-V472 CarbonylContact O-C 3.58Å; G454-V472 WeakPolarHBondContact O-CA 3.46Å; G454-R473 PolarHBondContact O-N 3.26Å |
| 455 | G | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.5 | -153 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P441 W442 T471 | P441-G455 VanDerWaalsContact CA-O 3.29Å; P441-G455 WeakPolarHBondContact CA-O 3.36Å; W442-G455 VanDerWaalsContact CD1-O 3.28Å; W442-G455 PolarHBondContact N-O 3.49Å; G455-T471 WeakPolarHBondContact CA-O 3.05Å |
| 456 | Y | 98.1 | Very high | 96.1 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.9 | -178.6 | -64.7 | -92.8 | 0 | 0 | 0 | 111.2 | S440 P441 T470 T471 | S440-Y456 CarbonylContact O-C 3.48Å; S440-Y456 WeakPolarHBondContact O-CA 3.23Å; P441-Y456 HydrophobicContact CB-CD1 4.27Å; P441-Y456 HydrophobicContact CB-CE1 4.12Å; Y456-T470 CarbonylContact O-C 3.51Å; Y456-T470 VanDerWaalsContact O-CA 3.28Å; Y456-T470 WeakPolarHBondContact O-CA 3.11Å; Y456-T470 PolarHBondContact O-OG1 3.27Å; Y456-T471 PolarHBondContact N-OG1 2.99Å; Y456-T471 PolarHBondContact O-N 3.06Å |
| 457 | W | 97.9 | Very high | 96.3 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 157.6 | -176.7 | 78 | -73.8 | 0 | 0 | 0 | 112.3 | R439 S440 W442 L459 V468 Y469 F500 | R439-W457 CarbonylContact C-O 3.6Å; R439-W457 VanDerWaalsContact CA-O 3.24Å; R439-W457 WeakPolarHBondContact CA-O 3.08Å; S440-W457 PolarHBondContact N-O 2.96Å; S440-W457 PolarHBondContact O-N 3.1Å; W442-W457 HydrophobicContact CB-CG 4.32Å; W457-L459 HydrophobicContact CE3-CB 4.36Å; W457-L459 HydrophobicContact CH2-CB 4.23Å; W457-L459 HydrophobicContact CZ3-CB 3.63Å; W457-L459 HydrophobicContact CZ3-CD1 4.39Å; W457-L459 HydrophobicContact CZ3-CG 4.41Å; W457-V468 HydrophobicContact CE3-CG1 4.04Å; W457-V468 HydrophobicContact CE3-CG2 4.39Å; W457-V468 HydrophobicContact CZ3-CG2 4.29Å; W457-Y469 CarbonylContact C-O 3.51Å; W457-Y469 WeakPolarHBondContact CA-O 3.29Å; W457-F500 HydrophobicContact CD2-CB 3.65Å; W457-F500 HydrophobicContact CD2-CG 4.46Å; W457-F500 HydrophobicContact CE3-CB 3.98Å; W457-F500 HydrophobicContact CE3-CG 4.45Å; W457-F500 HydrophobicContact CG-CB 3.96Å; W457-F500 HydrophobicContact CH2-CB 4.39Å; W457-F500 HydrophobicContact CZ2-CB 4.13Å; W457-F500 HydrophobicContact CZ3-CB 4.29Å |
| 458 | K | 97.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.4 | 169.4 | 58.1 | -176.8 | 179.8 | -164.4 | 0 | 110.2 | E425 D429 L460 Y469 | E425-K458 VanDerWaalsContact CG-NZ 3.34Å; E425-K458 IonicContact OE1-NZ 3.02Å; E425-K458 PolarHBondContact OE1-NZ 3.38Å; D429-K458 VanDerWaalsContact CG-NZ 3.26Å; D429-K458 IonicContact OD1-NZ 3.85Å; D429-K458 PolarHBondContact OD1-NZ 3.1Å; D429-K458 IonicContact OD2-NZ 3.31Å; D429-K458 PolarHBondContact OD2-NZ 2.92Å; K458-L460 HydrophobicContact CD-CD1 4.31Å; K458-L460 HydrophobicContact CG-CD1 3.94Å; K458-Y469 HydrophobicContact CD-CD1 4.38Å; K458-Y469 HydrophobicContact CG-CD1 4.18Å; K458-Y469 PolarHBondContact N-O 2.87Å; K458-Y469 PolarHBondContact O-N 3.34Å; K458-Y469 VanDerWaalsContact O-N 3.14Å |
| 459 | L | 97.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.3 | 176.1 | -174 | 61.7 | 0 | 0 | 0 | 109.6 | I436 S437 W457 V468 | I436-L459 HydrophobicContact CB-CB 4.44Å; I436-L459 HydrophobicContact CB-CD2 4.11Å; I436-L459 HydrophobicContact CB-CG 4.14Å; I436-L459 HydrophobicContact CG2-CD2 3.99Å; I436-L459 PolarHBondContact N-O 3.43Å; S437-L459 PolarHBondContact N-O 2.96Å; S437-L459 VanDerWaalsContact N-O 3.16Å; S437-L459 PolarHBondContact O-N 3.45Å; S437-L459 VanDerWaalsContact O-N 3.08Å; W457-L459 HydrophobicContact CE3-CB 4.36Å; W457-L459 HydrophobicContact CH2-CB 4.23Å; W457-L459 HydrophobicContact CZ3-CB 3.63Å; W457-L459 HydrophobicContact CZ3-CD1 4.39Å; W457-L459 HydrophobicContact CZ3-CG 4.41Å; L459-V468 HydrophobicContact CD1-CG2 3.64Å |
| 460 | L | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 151.5 | 175.5 | -49.1 | 98.7 | 0 | 0 | 0 | 110.5 | V428 L433 T434 K458 S466 L467 | V428-L460 HydrophobicContact CG1-CD1 3.66Å; V428-L460 HydrophobicContact CG1-CD2 4.17Å; L433-L460 HydrophobicContact CB-CB 3.72Å; L433-L460 HydrophobicContact CB-CD2 4.02Å; L433-L460 HydrophobicContact CD1-CB 4.08Å; T434-L460 CarbonylContact O-C 3.5Å; T434-L460 WeakPolarHBondContact O-CA 3.42Å; K458-L460 HydrophobicContact CD-CD1 4.31Å; K458-L460 HydrophobicContact CG-CD1 3.94Å; L460-S466 CarbonylContact O-C 3.49Å; L460-S466 VanDerWaalsContact O-CA 3.24Å; L460-S466 WeakPolarHBondContact O-CA 3.35Å; L460-L467 HydrophobicContact CD1-CD2 3.73Å; L460-L467 PolarHBondContact N-O 3.49Å; L460-L467 PolarHBondContact O-N 2.61Å |
| 461 | S | 96.9 | Very high | 97.2 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.4 | 178.3 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | T434 N463 | T434-S461 PolarHBondContact N-O 2.75Å; T434-S461 VanDerWaalsContact N-O 3.11Å; T434-S461 PolarHBondContact O-N 2.87Å; S461-N463 PolarHBondContact OG-N 3.41Å; S461-N463 VanDerWaalsContact OG-N 3.08Å |
| 462 | A | 95.5 | Very high | 97.3 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | trans | -104.7 | 33.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L402 L433 V464 S465 | L402-A462 HydrophobicContact CB-CB 3.69Å; L402-A462 HydrophobicContact CD1-CB 4.26Å; L402-A462 HydrophobicContact CD2-CB 4.38Å; L402-A462 HydrophobicContact CG-CB 4.34Å; L433-A462 HydrophobicContact CD2-CB 3.82Å; A462-V464 PolarHBondContact O-N 3.49Å; A462-S465 PolarHBondContact N-O 3.26Å | ||
| 463 | N | 92.5 | Very high | 97.3 | Very high | 147 Ų | 147 | 31.5 Ų | 31.5 | 79% | 0.786 | 16% | 0.161 | S | C | * | . | S | Bend | trans | 68 | -55.9 | -172.4 | -53.9 | -38.7 | 0 | 0 | 0 | 114.8 | S461 | S461-N463 PolarHBondContact OG-N 3.41Å; S461-N463 VanDerWaalsContact OG-N 3.08Å |
| 464 | V | 94.7 | Very high | 97.3 | Very high | 81 Ų | 81 | 30 Ų | 30 | 49% | 0.491 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -100.6 | -11.2 | -173.4 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | L402 K405 A462 | L402-V464 WeakPolarHBondContact O-CG2 3.48Å; K405-V464 HydrophobicContact CG-CB 4.14Å; K405-V464 HydrophobicContact CG-CG2 4.15Å; A462-V464 PolarHBondContact O-N 3.49Å |
| 465 | S | 96.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 30 Ų | 30 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -147 | 179 | 171.5 | 76.7 | 0 | 0 | 0 | 0 | 110.8 | L402 I406 A462 | L402-S465 VanDerWaalsContact CA-OG 3.27Å; L402-S465 WeakPolarHBondContact CA-OG 3.27Å; L402-S465 VanDerWaalsContact CD2-OG 3.26Å; L402-S465 WeakPolarHBondContact CD2-OG 3.46Å; L402-S465 PolarHBondContact O-OG 3.32Å; I406-S465 WeakPolarHBondContact O-CB 3.42Å; I406-S465 PolarHBondContact O-OG 3.35Å; A462-S465 PolarHBondContact N-O 3.26Å |
| 466 | S | 97.1 | Very high | 97.4 | Very high | 33 Ų | 33 | 30 Ų | 30 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.3 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | V408 L460 | V408-S466 PolarHBondContact N-O 2.93Å; V408-S466 VanDerWaalsContact N-O 3.08Å; L460-S466 CarbonylContact O-C 3.49Å; L460-S466 VanDerWaalsContact O-CA 3.24Å; L460-S466 WeakPolarHBondContact O-CA 3.35Å |
| 467 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.1 | 168.1 | -171.4 | 149.4 | 0 | 0 | 0 | 108.6 | L402 V408 I410 V428 L431 L433 L460 | L402-L467 HydrophobicContact CD1-CD1 4.25Å; L402-L467 HydrophobicContact CD2-CB 4.12Å; V408-L467 HydrophobicContact CB-CB 4.29Å; V408-L467 HydrophobicContact CB-CD1 4Å; V408-L467 HydrophobicContact CB-CG 3.92Å; V408-L467 HydrophobicContact CG1-CD1 3.68Å; V408-L467 HydrophobicContact CG1-CG 3.85Å; V408-L467 CarbonylContact O-C 3.57Å; V408-L467 VanDerWaalsContact O-CA 3.31Å; V408-L467 WeakPolarHBondContact O-CA 3.24Å; I410-L467 HydrophobicContact CD1-CD1 4.41Å; V428-L467 HydrophobicContact CG1-CD2 3.79Å; V428-L467 HydrophobicContact CG2-CD2 3.98Å; L431-L467 HydrophobicContact CD1-CD1 3.73Å; L433-L467 HydrophobicContact CD1-CB 3.93Å; L433-L467 HydrophobicContact CD1-CD1 4.25Å; L460-L467 HydrophobicContact CD1-CD2 3.73Å; L460-L467 PolarHBondContact N-O 3.49Å; L460-L467 PolarHBondContact O-N 2.61Å |
| 468 | V | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126 | 165.9 | 171.8 | 0 | 0 | 0 | 0 | 108.1 | F407 V408 L409 I410 W457 L459 F500 | F407-V468 HydrophobicContact CE1-CB 4.44Å; F407-V468 HydrophobicContact CE1-CG2 4.11Å; F407-V468 HydrophobicContact CZ-CB 4.38Å; F407-V468 HydrophobicContact CZ-CG2 3.58Å; V408-V468 PolarHBondContact O-N 3.28Å; L409-V468 WeakPolarHBondContact CA-O 3.29Å; L409-V468 HydrophobicContact CD1-CB 3.87Å; L409-V468 HydrophobicContact CD1-CG1 3.59Å; I410-V468 PolarHBondContact N-O 3.41Å; W457-V468 HydrophobicContact CE3-CG1 4.04Å; W457-V468 HydrophobicContact CE3-CG2 4.39Å; W457-V468 HydrophobicContact CZ3-CG2 4.29Å; L459-V468 HydrophobicContact CD1-CG2 3.64Å; V468-F500 HydrophobicContact CB-CE2 4.27Å; V468-F500 HydrophobicContact CG1-CD2 3.93Å; V468-F500 HydrophobicContact CG1-CE2 3.76Å; V468-F500 HydrophobicContact CG1-CG 4.44Å; V468-F500 HydrophobicContact CG1-CZ 4.11Å; V468-F500 HydrophobicContact CG2-CD2 4.26Å; V468-F500 HydrophobicContact CG2-CE2 4.14Å |
| 469 | Y | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.1 | 164.7 | 172.1 | -100.5 | 0 | 0 | 0 | 108.5 | I410 N412 Y421 D424 E425 V428 W457 K458 T471 | I410-Y469 HydrophobicContact CB-CD2 4.19Å; I410-Y469 HydrophobicContact CG2-CD2 3.97Å; I410-Y469 HydrophobicContact CG2-CE2 4.29Å; I410-Y469 CarbonylContact O-C 3.49Å; I410-Y469 WeakPolarHBondContact O-CA 3.46Å; N412-Y469 WeakPolarHBondContact OD1-CE2 3.22Å; Y421-Y469 PolarHBondContact O-OH 3.35Å; D424-Y469 HydrophobicContact CB-CE2 4.09Å; E425-Y469 HydrophobicContact CB-CE1 3.78Å; E425-Y469 HydrophobicContact CB-CE2 4.33Å; E425-Y469 HydrophobicContact CG-CD1 4.26Å; E425-Y469 HydrophobicContact CG-CE1 3.71Å; V428-Y469 HydrophobicContact CG2-CD2 3.91Å; V428-Y469 HydrophobicContact CG2-CG 4.19Å; W457-Y469 CarbonylContact C-O 3.51Å; W457-Y469 WeakPolarHBondContact CA-O 3.29Å; K458-Y469 HydrophobicContact CD-CD1 4.38Å; K458-Y469 HydrophobicContact CG-CD1 4.18Å; K458-Y469 PolarHBondContact N-O 2.87Å; K458-Y469 PolarHBondContact O-N 3.34Å; K458-Y469 VanDerWaalsContact O-N 3.14Å; Y469-T471 HydrophobicContact CE1-CG2 4.38Å |
| 470 | T | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 144.4 | 179.6 | -170 | 0 | 0 | 0 | 0 | 113.2 | L409 I410 Y411 N412 W442 Y456 M490 F500 | L409-T470 HydrophobicContact CD1-CG2 4Å; I410-T470 PolarHBondContact O-N 3.11Å; Y411-T470 CarbonylContact C-O 3.6Å; Y411-T470 WeakPolarHBondContact CA-O 3.26Å; N412-T470 PolarHBondContact N-O 3.03Å; W442-T470 PolarHBondContact NE1-OG1 3.44Å; Y456-T470 CarbonylContact O-C 3.51Å; Y456-T470 VanDerWaalsContact O-CA 3.28Å; Y456-T470 WeakPolarHBondContact O-CA 3.11Å; Y456-T470 PolarHBondContact O-OG1 3.27Å; T470-M490 HydrophobicContact CG2-SD 3.65Å; T470-F500 HydrophobicContact CG2-CE1 4.43Å |
| 471 | T | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 155 | 164.8 | 70.2 | 0 | 0 | 0 | 0 | 110.7 | N412 Y421 W442 G455 Y456 Y469 | N412-T471 CarbonylContact O-C 3.58Å; N412-T471 VanDerWaalsContact O-CA 3.24Å; N412-T471 WeakPolarHBondContact O-CA 3.42Å; Y421-T471 HydrophobicContact CD2-CG2 3.91Å; Y421-T471 HydrophobicContact CG-CG2 4.24Å; W442-T471 PolarHBondContact NE1-O 3.42Å; G455-T471 WeakPolarHBondContact CA-O 3.05Å; Y456-T471 PolarHBondContact N-OG1 2.99Å; Y456-T471 PolarHBondContact O-N 3.06Å; Y469-T471 HydrophobicContact CE1-CG2 4.38Å |
| 472 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 106.6 | 170 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | N412 D414 W442 G454 G474 A475 V479 K483 A486 M490 | N412-V472 PolarHBondContact O-N 3.44Å; D414-V472 PolarHBondContact N-O 2.63Å; W442-V472 HydrophobicContact CZ2-CG1 4.41Å; W442-V472 HydrophobicContact CZ2-CG2 4.12Å; G454-V472 CarbonylContact O-C 3.58Å; G454-V472 WeakPolarHBondContact O-CA 3.46Å; V472-G474 PolarHBondContact O-N 3.24Å; V472-A475 HydrophobicContact CB-CB 4.05Å; V472-A475 HydrophobicContact CG1-CB 3.91Å; V472-A475 PolarHBondContact O-N 2.89Å; V472-A475 VanDerWaalsContact O-N 3.17Å; V472-V479 HydrophobicContact CB-CG1 3.61Å; V472-V479 HydrophobicContact CG1-CG1 3.69Å; V472-V479 HydrophobicContact CG2-CG1 3.57Å; V472-K483 HydrophobicContact CG1-CB 3.83Å; V472-K483 HydrophobicContact CG1-CG 4.03Å; V472-A486 HydrophobicContact CG1-CB 4.3Å; V472-M490 HydrophobicContact CG2-CE 4.18Å |
| 473 | R | 98.5 | Very high | 97.7 | Very high | 110 Ų | 110 | 29 Ų | 29 | 42% | 0.415 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 120.1 | -169.7 | -176.6 | -178 | 64.1 | 152.2 | 2.4 | 111.9 | D414 I453 G454 A475 K483 | D414-R473 WeakPolarHBondContact OD2-CA 3.47Å; I453-R473 PolarHBondContact O-NE 2.9Å; I453-R473 PolarHBondContact O-NH2 3.46Å; G454-R473 PolarHBondContact O-N 3.26Å; R473-A475 VanDerWaalsContact C-N 3.3Å; R473-K483 VanDerWaalsContact O-CE 3.26Å; R473-K483 WeakPolarHBondContact O-CE 3.4Å |
| 474 | G | 98.3 | Very high | 98 | Very high | 26 Ų | 26 | 24 Ų | 24 | 27% | 0.268 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 20.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D414 V472 K483 | D414-G474 PolarHBondContact OD1-N 3.05Å; V472-G474 PolarHBondContact O-N 3.24Å; G474-K483 VanDerWaalsContact C-CE 3.46Å; G474-K483 WeakPolarHBondContact O-CE 3.47Å |
| 475 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -98.6 | 143.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G413 D414 I415 V472 R473 V479 D482 K483 | G413-A475 CarbonylContact C-O 3.56Å; G413-A475 WeakPolarHBondContact CA-O 3.5Å; D414-A475 PolarHBondContact N-O 2.92Å; D414-A475 VanDerWaalsContact N-O 3.12Å; I415-A475 WeakPolarHBondContact CG1-O 3.47Å; I415-A475 PolarHBondContact N-O 3.3Å; V472-A475 HydrophobicContact CB-CB 4.05Å; V472-A475 HydrophobicContact CG1-CB 3.91Å; V472-A475 PolarHBondContact O-N 2.89Å; V472-A475 VanDerWaalsContact O-N 3.17Å; R473-A475 VanDerWaalsContact C-N 3.3Å; A475-V479 HydrophobicContact CB-CB 4.44Å; A475-V479 HydrophobicContact CB-CG1 3.86Å; A475-D482 HydrophobicContact CB-CB 4.07Å; A475-K483 HydrophobicContact CB-CB 4.28Å; A475-K483 HydrophobicContact CB-CG 3.68Å | ||
| 476 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -85.8 | -147.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y273 G413 D482 | Y273-G476 CarbonylContact O-C 3.52Å; Y273-G476 VanDerWaalsContact O-C 3.31Å; Y273-G476 WeakPolarHBondContact O-CA 3.45Å; G413-G476 WeakPolarHBondContact CA-O 3.28Å; G476-D482 VanDerWaalsContact CA-OD2 3.29Å; G476-D482 WeakPolarHBondContact CA-OD2 3.33Å; G476-D482 PolarHBondContact N-OD2 3.12Å | ||
| 477 | H | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -65.9 | -47.7 | -174.3 | -159.4 | 65.7 | 0 | 0 | 0 | 111.6 | E173 S174 N202 Y273 D416 V479 | E173-H477 IonicContact OE1-CD2 2.73Å; S174-H477 WeakPolarHBondContact CB-NE2 3.24Å; S174-H477 PolarHBondContact OG-NE2 3.28Å; N202-H477 PolarHBondContact OD1-O 3.04Å; Y273-H477 HydrophobicContact CD1-CB 3.62Å; Y273-H477 AromaticContact CD1-CD2 3.61Å; Y273-H477 AromaticContact CD1-CG 3.56Å; Y273-H477 AromaticContact CE1-CD2 3.85Å; Y273-H477 HydrophobicContact CG-CB 4Å; Y273-H477 PolarHBondContact O-N 3.43Å; D416-H477 HydrophobicContact CB-CB 4.48Å; D416-H477 VanDerWaalsContact CG-ND1 3.28Å; D416-H477 IonicContact OD1-CG 2.82Å; D416-H477 IonicContact OD1-ND1 3.95Å; D416-H477 PolarHBondContact OD1-ND1 2.82Å; D416-H477 IonicContact OD2-CE1 3.82Å; D416-H477 IonicContact OD2-CG 3.77Å; D416-H477 IonicContact OD2-ND1 2.73Å; D416-H477 PolarHBondContact OD2-ND1 2.65Å; H477-V479 PolarHBondContact O-N 2.88Å; H477-V479 VanDerWaalsContact O-N 3.14Å |
| 478 | M | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -87.8 | 73.8 | 179.6 | -66.5 | 152.5 | -68.4 | 0 | 0 | 110 | E94 E173 Y273 M345 E348 R481 D482 | E94-M478 HydrophobicContact CG-CB 4.32Å; E173-M478 WeakPolarHBondContact OE1-CA 3.41Å; E173-M478 WeakPolarHBondContact OE1-CG 3.23Å; E173-M478 WeakPolarHBondContact OE2-CA 3.32Å; Y273-M478 HydrophobicContact CG-CE 4.4Å; M345-M478 HydrophobicContact CE-SD 4.15Å; E348-M478 HydrophobicContact CG-CE 4.37Å; E348-M478 WeakPolarHBondContact OE1-CE 3.49Å; M478-R481 HydrophobicContact CB-CB 3.94Å; M478-R481 WeakPolarHBondContact O-CA 3.46Å; M478-R481 VanDerWaalsContact O-CB 3.28Å; M478-R481 WeakPolarHBondContact O-CB 3.33Å; M478-R481 PolarHBondContact O-N 3.23Å; M478-R481 PolarHBondContact SD-NH1 3.3Å; M478-R481 PolarHBondContact SD-NH2 2.83Å; M478-D482 PolarHBondContact O-N 2.97Å; M478-D482 VanDerWaalsContact O-N 3.14Å |
| 479 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.9 | -43.3 | -171.4 | -168.8 | 0 | 0 | 0 | 0 | 113.6 | N202 Y411 V472 A475 H477 R481 D482 K483 T487 | N202-V479 WeakPolarHBondContact OD1-CG2 3.31Å; Y411-V479 HydrophobicContact CD2-CB 4.2Å; Y411-V479 HydrophobicContact CD2-CG1 4.24Å; Y411-V479 HydrophobicContact CD2-CG2 3.96Å; Y411-V479 HydrophobicContact CE2-CB 3.93Å; Y411-V479 HydrophobicContact CE2-CG1 4.36Å; Y411-V479 HydrophobicContact CE2-CG2 3.9Å; V472-V479 HydrophobicContact CB-CG1 3.61Å; V472-V479 HydrophobicContact CG1-CG1 3.69Å; V472-V479 HydrophobicContact CG2-CG1 3.57Å; A475-V479 HydrophobicContact CB-CB 4.44Å; A475-V479 HydrophobicContact CB-CG1 3.86Å; H477-V479 PolarHBondContact O-N 2.88Å; H477-V479 VanDerWaalsContact O-N 3.14Å; V479-R481 PolarHBondContact O-N 2.98Å; V479-D482 PolarHBondContact O-N 2.97Å; V479-K483 PolarHBondContact O-N 3.42Å; V479-T487 WeakPolarHBondContact CG1-OG1 3.43Å; V479-T487 PolarHBondContact O-OG1 3.03Å |
| 480 | P | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.4 | -26.2 | 178.3 | -8.5 | 21.2 | 0 | 0 | 0 | 112.9 | W78 E94 N95 W113 P484 T487 | W78-P480 HydrophobicContact CH2-CG 4.2Å; E94-P480 HydrophobicContact CB-CB 4.01Å; E94-P480 HydrophobicContact CB-CG 4.15Å; N95-P480 HydrophobicContact CB-CB 3.83Å; N95-P480 HydrophobicContact CB-CG 4.23Å; W113-P480 HydrophobicContact CZ2-CG 4.11Å; P480-P484 WeakPolarHBondContact O-CA 3.13Å; P480-P484 VanDerWaalsContact O-CB 3.28Å; P480-P484 WeakPolarHBondContact O-CB 3.29Å; P480-T487 HydrophobicContact CB-CG2 3.99Å; P480-T487 HydrophobicContact CG-CG2 3.98Å |
| 481 | R | 97.4 | Very high | 98.2 | Very high | 67 Ų | 67 | 22.1 Ų | 22.1 | 25% | 0.253 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -71.2 | -48.9 | 174.5 | -175.8 | -172.1 | -65.5 | 177.2 | 3.3 | 111.3 | E89 T93 E94 E348 M478 V479 | E89-R481 IonicContact OE1-NH2 3.33Å; E89-R481 PolarHBondContact OE1-NH2 3Å; T93-R481 WeakPolarHBondContact O-CB 3.36Å; T93-R481 WeakPolarHBondContact O-CG 3.42Å; T93-R481 PolarHBondContact O-NE 3.24Å; T93-R481 PolarHBondContact OG1-NH2 3.03Å; E94-R481 HydrophobicContact CG-CB 4.34Å; E348-R481 IonicContact OE1-NH1 3.34Å; E348-R481 IonicContact OE2-CZ 2.8Å; E348-R481 IonicContact OE2-NH1 3.27Å; E348-R481 PolarHBondContact OE2-NH1 2.95Å; M478-R481 HydrophobicContact CB-CB 3.94Å; M478-R481 WeakPolarHBondContact O-CA 3.46Å; M478-R481 VanDerWaalsContact O-CB 3.28Å; M478-R481 WeakPolarHBondContact O-CB 3.33Å; M478-R481 PolarHBondContact O-N 3.23Å; M478-R481 PolarHBondContact SD-NH1 3.3Å; M478-R481 PolarHBondContact SD-NH2 2.83Å; V479-R481 PolarHBondContact O-N 2.98Å |
| 482 | D | 98 | Very high | 98.1 | Very high | 47 Ų | 47 | 23.3 Ų | 23.3 | 25% | 0.251 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -78.2 | -35 | -173.3 | -71.2 | -15.1 | 0 | 0 | 0 | 113.1 | N274 A475 G476 M478 V479 | N274-D482 PolarHBondContact ND2-OD2 3.41Å; A475-D482 HydrophobicContact CB-CB 4.07Å; G476-D482 VanDerWaalsContact CA-OD2 3.29Å; G476-D482 WeakPolarHBondContact CA-OD2 3.33Å; G476-D482 PolarHBondContact N-OD2 3.12Å; M478-D482 PolarHBondContact O-N 2.97Å; M478-D482 VanDerWaalsContact O-N 3.14Å; V479-D482 PolarHBondContact O-N 2.97Å |
| 483 | K | 98.1 | Very high | 98 | Very high | 69 Ų | 69 | 25.3 Ų | 25.3 | 30% | 0.3 | 12% | 0.124 | S | C | . | . | trans | -134.2 | 66.4 | -178.2 | -61.9 | -65.4 | 173.5 | -172.5 | 0 | 111.3 | V472 R473 G474 A475 V479 A485 A486 T487 | V472-K483 HydrophobicContact CG1-CB 3.83Å; V472-K483 HydrophobicContact CG1-CG 4.03Å; R473-K483 VanDerWaalsContact O-CE 3.26Å; R473-K483 WeakPolarHBondContact O-CE 3.4Å; G474-K483 VanDerWaalsContact C-CE 3.46Å; G474-K483 WeakPolarHBondContact O-CE 3.47Å; A475-K483 HydrophobicContact CB-CB 4.28Å; A475-K483 HydrophobicContact CB-CG 3.68Å; V479-K483 PolarHBondContact O-N 3.42Å; K483-A485 PolarHBondContact O-N 2.78Å; K483-A486 HydrophobicContact CB-CB 4.08Å; K483-A486 PolarHBondContact O-N 2.96Å; K483-T487 WeakPolarHBondContact O-CB 3.4Å; K483-T487 PolarHBondContact O-N 3.26Å; K483-T487 PolarHBondContact O-OG1 3.19Å | ||
| 484 | P | 97.8 | Very high | 98 | Very high | 42 Ų | 42 | 20.3 Ų | 20.3 | 27% | 0.273 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -62.2 | -43.1 | -173.4 | 23.1 | -34.2 | 0 | 0 | 0 | 113.1 | Y111 P480 T487 F488 | Y111-P484 HydrophobicContact CD2-CB 3.7Å; Y111-P484 HydrophobicContact CD2-CG 3.97Å; Y111-P484 HydrophobicContact CE2-CG 4.46Å; Y111-P484 HydrophobicContact CG-CB 4.12Å; P480-P484 WeakPolarHBondContact O-CA 3.13Å; P480-P484 VanDerWaalsContact O-CB 3.28Å; P480-P484 WeakPolarHBondContact O-CB 3.29Å; P484-T487 PolarHBondContact O-N 3.07Å; P484-F488 VanDerWaalsContact O-CB 3.28Å; P484-F488 WeakPolarHBondContact O-CB 3.21Å; P484-F488 PolarHBondContact O-N 3.35Å |
| 485 | A | 97.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.025 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.3 | -49.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y111 Y444 K483 T487 F488 H489 | Y111-A485 HydrophobicContact CD1-CB 4.15Å; Y111-A485 HydrophobicContact CD2-CB 4.43Å; Y111-A485 HydrophobicContact CE1-CB 3.7Å; Y111-A485 HydrophobicContact CE2-CB 3.98Å; Y111-A485 HydrophobicContact CG-CB 4.48Å; Y444-A485 HydrophobicContact CD2-CB 4.07Å; Y444-A485 HydrophobicContact CE2-CB 3.87Å; K483-A485 PolarHBondContact O-N 2.78Å; A485-T487 VanDerWaalsContact C-N 3.35Å; A485-T487 PolarHBondContact O-N 2.94Å; A485-F488 PolarHBondContact O-N 3.26Å; A485-H489 PolarHBondContact O-CD2 2.95Å; A485-H489 PolarHBondContact O-N 3.47Å; A485-H489 VanDerWaalsContact O-N 3.13Å |
| 486 | A | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 24 Ų | 24 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.2 | W442 Y444 V472 K483 H489 M490 | W442-A486 HydrophobicContact CH2-CB 3.72Å; W442-A486 WeakPolarHBondContact CH2-O 3.06Å; W442-A486 HydrophobicContact CZ3-CB 4.41Å; Y444-A486 HydrophobicContact CD1-CB 3.84Å; Y444-A486 HydrophobicContact CD2-CB 4.12Å; Y444-A486 HydrophobicContact CE1-CB 3.99Å; Y444-A486 HydrophobicContact CE2-CB 4.28Å; Y444-A486 HydrophobicContact CG-CB 3.9Å; V472-A486 HydrophobicContact CG1-CB 4.3Å; K483-A486 HydrophobicContact CB-CB 4.08Å; K483-A486 PolarHBondContact O-N 2.96Å; A486-H489 PolarHBondContact O-N 2.82Å; A486-M490 PolarHBondContact O-N 3.39Å |
| 487 | T | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.4 | -40.2 | -179.3 | -53.5 | 0 | 0 | 0 | 0 | 112.4 | W113 V479 P480 K483 P484 A485 H489 M490 I491 | W113-T487 HydrophobicContact CZ2-CG2 3.71Å; V479-T487 WeakPolarHBondContact CG1-OG1 3.43Å; V479-T487 PolarHBondContact O-OG1 3.03Å; P480-T487 HydrophobicContact CB-CG2 3.99Å; P480-T487 HydrophobicContact CG-CG2 3.98Å; K483-T487 WeakPolarHBondContact O-CB 3.4Å; K483-T487 PolarHBondContact O-N 3.26Å; K483-T487 PolarHBondContact O-OG1 3.19Å; P484-T487 PolarHBondContact O-N 3.07Å; A485-T487 VanDerWaalsContact C-N 3.35Å; A485-T487 PolarHBondContact O-N 2.94Å; T487-H489 PolarHBondContact O-N 2.91Å; T487-M490 HydrophobicContact CG2-CE 3.91Å; T487-M490 WeakPolarHBondContact O-CB 3.1Å; T487-M490 PolarHBondContact O-N 3Å; T487-I491 WeakPolarHBondContact O-CG1 3.22Å; T487-I491 PolarHBondContact O-N 2.91Å |
| 488 | F | 98.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 15% | 0.154 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.2 | 176.4 | -99.4 | 0 | 0 | 0 | 112.1 | Y111 S112 K115 V116 P484 A485 I491 S492 | Y111-F488 HydrophobicContact CD1-CB 4.32Å; Y111-F488 HydrophobicContact CD1-CD1 4.45Å; Y111-F488 HydrophobicContact CD1-CG 4.47Å; Y111-F488 WeakPolarHBondContact O-CD2 3.32Å; S112-F488 WeakPolarHBondContact O-CE2 3.47Å; K115-F488 HydrophobicContact CB-CE2 3.89Å; K115-F488 HydrophobicContact CB-CZ 4.12Å; V116-F488 HydrophobicContact CG1-CE2 4.1Å; V116-F488 HydrophobicContact CG1-CZ 3.91Å; V116-F488 HydrophobicContact CG2-CE2 4.31Å; P484-F488 VanDerWaalsContact O-CB 3.28Å; P484-F488 WeakPolarHBondContact O-CB 3.21Å; P484-F488 PolarHBondContact O-N 3.35Å; A485-F488 PolarHBondContact O-N 3.26Å; F488-I491 PolarHBondContact O-N 2.91Å; F488-S492 VanDerWaalsContact O-CB 3.28Å; F488-S492 WeakPolarHBondContact O-CB 3.39Å; F488-S492 PolarHBondContact O-N 3.4Å |
| 489 | H | 97.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 23% | 0.231 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.2 | -84.6 | -110.9 | 0 | 0 | 0 | 112.2 | V445 A485 A486 T487 R493 | V445-H489 PolarHBondContact O-NE2 3.37Å; A485-H489 PolarHBondContact O-CD2 2.95Å; A485-H489 PolarHBondContact O-N 3.47Å; A485-H489 VanDerWaalsContact O-N 3.13Å; A486-H489 PolarHBondContact O-N 2.82Å; T487-H489 PolarHBondContact O-N 2.91Å; H489-R493 VanDerWaalsContact O-CG 3.32Å; H489-R493 WeakPolarHBondContact O-CG 3.18Å; H489-R493 PolarHBondContact O-N 2.88Å |
| 490 | M | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 176.3 | 159.9 | 164.6 | 81.3 | 0 | 0 | 112.2 | L409 Y411 W442 T470 V472 A486 T487 R493 L494 F500 | L409-M490 HydrophobicContact CD2-CG 3.82Å; L409-M490 HydrophobicContact CD2-SD 4.07Å; Y411-M490 HydrophobicContact CD1-CE 3.84Å; Y411-M490 HydrophobicContact CD1-SD 4.29Å; Y411-M490 HydrophobicContact CD2-CE 3.41Å; Y411-M490 VanDerWaalsContact CD2-CE 3.41Å; Y411-M490 HydrophobicContact CD2-SD 4.46Å; Y411-M490 HydrophobicContact CE1-CE 4.26Å; Y411-M490 HydrophobicContact CE2-CE 3.9Å; Y411-M490 HydrophobicContact CG-CE 3.38Å; Y411-M490 HydrophobicContact CG-SD 3.91Å; W442-M490 HydrophobicContact CH2-CB 4.28Å; W442-M490 HydrophobicContact CZ3-CB 4.46Å; T470-M490 HydrophobicContact CG2-SD 3.65Å; V472-M490 HydrophobicContact CG2-CE 4.18Å; A486-M490 PolarHBondContact O-N 3.39Å; T487-M490 HydrophobicContact CG2-CE 3.91Å; T487-M490 WeakPolarHBondContact O-CB 3.1Å; T487-M490 PolarHBondContact O-N 3Å; M490-R493 PolarHBondContact O-N 3.32Å; M490-L494 PolarHBondContact O-N 3.2Å; M490-F500 HydrophobicContact CB-CE1 3.94Å; M490-F500 HydrophobicContact CG-CE1 3.56Å; M490-F500 HydrophobicContact CG-CZ 3.96Å; M490-F500 HydrophobicContact SD-CE1 4.08Å |
| 491 | I | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.3 | -36.5 | -178.6 | -67.8 | -60.6 | 0 | 0 | 0 | 112.5 | I76 W113 A199 L409 T487 F488 R493 L494 I495 | I76-I491 HydrophobicContact CD1-CG2 3.98Å; W113-I491 HydrophobicContact CD2-CB 4.35Å; W113-I491 HydrophobicContact CD2-CG1 4.09Å; W113-I491 HydrophobicContact CD2-CG2 3.93Å; W113-I491 HydrophobicContact CE3-CG1 4.28Å; W113-I491 HydrophobicContact CE3-CG2 3.98Å; W113-I491 HydrophobicContact CG-CG2 4.33Å; W113-I491 HydrophobicContact CH2-CD1 3.57Å; W113-I491 HydrophobicContact CH2-CG1 3.53Å; W113-I491 HydrophobicContact CZ2-CB 4.43Å; W113-I491 HydrophobicContact CZ2-CD1 3.94Å; W113-I491 HydrophobicContact CZ2-CG1 3.37Å; W113-I491 HydrophobicContact CZ3-CD1 3.99Å; W113-I491 HydrophobicContact CZ3-CG1 4Å; W113-I491 HydrophobicContact CZ3-CG2 4.32Å; A199-I491 HydrophobicContact CB-CD1 4.41Å; L409-I491 HydrophobicContact CD2-CD1 4.38Å; T487-I491 WeakPolarHBondContact O-CG1 3.22Å; T487-I491 PolarHBondContact O-N 2.91Å; F488-I491 PolarHBondContact O-N 2.91Å; I491-R493 VanDerWaalsContact C-N 3.31Å; I491-R493 PolarHBondContact O-N 2.79Å; I491-L494 HydrophobicContact CD1-CD2 4.19Å; I491-L494 WeakPolarHBondContact O-CB 3.22Å; I491-L494 PolarHBondContact O-N 3.01Å; I491-I495 HydrophobicContact CG2-CD1 3.97Å; I491-I495 WeakPolarHBondContact O-CG1 3.43Å; I491-I495 PolarHBondContact O-N 3.13Å |
| 492 | S | 97.5 | Very high | 95.7 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 171.5 | -176.4 | 0 | 0 | 0 | 0 | 111 | F488 L494 I495 H496 | F488-S492 VanDerWaalsContact O-CB 3.28Å; F488-S492 WeakPolarHBondContact O-CB 3.39Å; F488-S492 PolarHBondContact O-N 3.4Å; S492-L494 PolarHBondContact O-N 2.82Å; S492-I495 PolarHBondContact O-N 3.36Å; S492-H496 PolarHBondContact O-CD2 2.73Å; S492-H496 PolarHBondContact O-N 3.09Å |
| 493 | R | 97 | Very high | 95.5 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 176 | -73.4 | 172.3 | 174.9 | 169.3 | -3.9 | 112.9 | L443 H489 M490 I491 I495 H496 F497 E498 P499 F500 | L443-R493 PolarHBondContact O-NH1 3.02Å; L443-R493 PolarHBondContact O-NH2 3.44Å; H489-R493 VanDerWaalsContact O-CG 3.32Å; H489-R493 WeakPolarHBondContact O-CG 3.18Å; H489-R493 PolarHBondContact O-N 2.88Å; M490-R493 PolarHBondContact O-N 3.32Å; I491-R493 VanDerWaalsContact C-N 3.31Å; I491-R493 PolarHBondContact O-N 2.79Å; R493-I495 VanDerWaalsContact C-N 3.34Å; R493-I495 PolarHBondContact O-N 2.93Å; R493-H496 CarbonylContact O-C 3.46Å; R493-H496 PolarHBondContact O-N 3.38Å; R493-F497 CarbonylContact O-C 3.58Å; R493-F497 WeakPolarHBondContact O-CA 3.36Å; R493-F497 PolarHBondContact O-N 3.32Å; R493-E498 HydrophobicContact CB-CB 4.13Å; R493-E498 HydrophobicContact CG-CB 4.01Å; R493-E498 PolarHBondContact O-N 3.37Å; R493-P499 WeakPolarHBondContact CD-O 3.27Å; R493-P499 PolarHBondContact NE-O 3.49Å; R493-F500 VanDerWaalsContact CZ-OXT 3.27Å; R493-F500 PolarHBondContact NH1-OXT 2.87Å |
| 494 | L | 97.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 174.3 | 175.9 | 67.3 | 0 | 0 | 0 | 111.3 | F169 A197 A199 F407 L409 M490 I491 S492 H496 F497 | F169-L494 HydrophobicContact CD1-CD2 4.3Å; F169-L494 HydrophobicContact CD1-CG 4.24Å; F169-L494 HydrophobicContact CE1-CG 4.21Å; A197-L494 HydrophobicContact CB-CD1 4.06Å; A199-L494 HydrophobicContact CB-CD2 3.69Å; F407-L494 HydrophobicContact CD1-CD1 3.61Å; F407-L494 HydrophobicContact CE1-CD1 3.68Å; L409-L494 HydrophobicContact CB-CD1 4.19Å; L409-L494 HydrophobicContact CB-CD2 4.45Å; L409-L494 HydrophobicContact CD2-CB 4.4Å; L409-L494 HydrophobicContact CD2-CD2 4.01Å; M490-L494 PolarHBondContact O-N 3.2Å; I491-L494 HydrophobicContact CD1-CD2 4.19Å; I491-L494 WeakPolarHBondContact O-CB 3.22Å; I491-L494 PolarHBondContact O-N 3.01Å; S492-L494 PolarHBondContact O-N 2.82Å; L494-H496 VanDerWaalsContact C-N 3.26Å; L494-H496 PolarHBondContact O-N 2.94Å; L494-F497 PolarHBondContact O-N 3.14Å |
| 495 | I | 96.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | -179.3 | -75.5 | 168.1 | 0 | 0 | 0 | 112 | P74 I76 V116 A117 R167 F169 I491 S492 R493 | P74-I495 HydrophobicContact CG-CD1 4.44Å; P74-I495 HydrophobicContact CG-CG1 4.49Å; P74-I495 HydrophobicContact CG-CG2 3.72Å; I76-I495 HydrophobicContact CD1-CD1 3.56Å; I76-I495 HydrophobicContact CD1-CG1 4.32Å; I76-I495 HydrophobicContact CG1-CD1 4.41Å; V116-I495 HydrophobicContact CB-CD1 4.2Å; V116-I495 HydrophobicContact CG2-CD1 3.56Å; A117-I495 HydrophobicContact CB-CD1 4.06Å; R167-I495 PolarHBondContact NH1-O 3.18Å; R167-I495 PolarHBondContact NH2-O 3.25Å; F169-I495 HydrophobicContact CE2-CG1 4.45Å; F169-I495 HydrophobicContact CZ-CG1 4.39Å; I491-I495 HydrophobicContact CG2-CD1 3.97Å; I491-I495 WeakPolarHBondContact O-CG1 3.43Å; I491-I495 PolarHBondContact O-N 3.13Å; S492-I495 PolarHBondContact O-N 3.36Å; R493-I495 VanDerWaalsContact C-N 3.34Å; R493-I495 PolarHBondContact O-N 2.93Å |
| 496 | H | 96 | Very high | 95.1 | Very high | 102 Ų | 102 | 39.1 Ų | 39.1 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -94.1 | -0.1 | 179.9 | -64.5 | -59.9 | 0 | 0 | 0 | 113.8 | S492 R493 L494 E498 | S492-H496 PolarHBondContact O-CD2 2.73Å; S492-H496 PolarHBondContact O-N 3.09Å; R493-H496 CarbonylContact O-C 3.46Å; R493-H496 PolarHBondContact O-N 3.38Å; L494-H496 VanDerWaalsContact C-N 3.26Å; L494-H496 PolarHBondContact O-N 2.94Å; H496-E498 HydrophobicContact CB-CG 3.79Å; H496-E498 PolarHBondContact O-N 2.86Å |
| 497 | F | 95.3 | Very high | 94.8 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 37% | 0.373 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 38.4 | -170.2 | -64.2 | -72.7 | 0 | 0 | 0 | 113.2 | R167 Q196 A197 F407 R493 L494 | R167-F497 VanDerWaalsContact NH2-CE2 3.32Å; Q196-F497 HydrophobicContact CB-CE2 4.49Å; Q196-F497 HydrophobicContact CB-CZ 4.04Å; A197-F497 HydrophobicContact CB-CE1 4.47Å; F407-F497 HydrophobicContact CB-CE1 3.71Å; F407-F497 HydrophobicContact CD1-CE1 4.38Å; F407-F497 HydrophobicContact CD2-CD1 4.11Å; F407-F497 HydrophobicContact CD2-CE1 4.05Å; F407-F497 HydrophobicContact CE2-CD1 4.45Å; F407-F497 HydrophobicContact CG-CD1 4.25Å; F407-F497 AromaticContact CG-CE1 3.81Å; F407-F497 HydrophobicContact CG-CE1 3.81Å; R493-F497 CarbonylContact O-C 3.58Å; R493-F497 WeakPolarHBondContact O-CA 3.36Å; R493-F497 PolarHBondContact O-N 3.32Å; L494-F497 PolarHBondContact O-N 3.14Å |
| 498 | E | 93.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 44.9 Ų | 44.9 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | trans | -83.3 | 149.1 | 175.8 | -69.8 | 179.4 | 178 | 0 | 0 | 111 | R493 H496 | R493-E498 HydrophobicContact CB-CB 4.13Å; R493-E498 HydrophobicContact CG-CB 4.01Å; R493-E498 PolarHBondContact O-N 3.37Å; H496-E498 HydrophobicContact CB-CG 3.79Å; H496-E498 PolarHBondContact O-N 2.86Å | ||
| 499 | P | 84.9 | Confident | 94.3 | Very high | 106 Ų | 106 | 45.8 Ų | 45.8 | 69% | 0.688 | 23% | 0.229 | S | C | * | . | trans | -60.3 | 149.2 | 172.4 | -22.3 | 33.5 | 0 | 0 | 0 | 113.2 | R493 | R493-P499 WeakPolarHBondContact CD-O 3.27Å; R493-P499 PolarHBondContact NE-O 3.49Å | ||
| 500 | F | 79.8 | Confident | 94 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | trans | -78.4 | 0 | 174.4 | -79.8 | -100.8 | 0 | 0 | 0 | 113.4 | L409 W442 W457 V468 T470 M490 R493 | L409-F500 HydrophobicContact CD1-CE1 4.32Å; L409-F500 HydrophobicContact CD1-CE2 4.32Å; L409-F500 HydrophobicContact CD1-CZ 3.68Å; L409-F500 HydrophobicContact CD2-CZ 4.08Å; W442-F500 HydrophobicContact CB-CB 4.14Å; W442-F500 WeakPolarHBondContact CB-OXT 3.2Å; W457-F500 HydrophobicContact CD2-CB 3.65Å; W457-F500 HydrophobicContact CD2-CG 4.46Å; W457-F500 HydrophobicContact CE3-CB 3.98Å; W457-F500 HydrophobicContact CE3-CG 4.45Å; W457-F500 HydrophobicContact CG-CB 3.96Å; W457-F500 HydrophobicContact CH2-CB 4.39Å; W457-F500 HydrophobicContact CZ2-CB 4.13Å; W457-F500 HydrophobicContact CZ3-CB 4.29Å; V468-F500 HydrophobicContact CB-CE2 4.27Å; V468-F500 HydrophobicContact CG1-CD2 3.93Å; V468-F500 HydrophobicContact CG1-CE2 3.76Å; V468-F500 HydrophobicContact CG1-CG 4.44Å; V468-F500 HydrophobicContact CG1-CZ 4.11Å; V468-F500 HydrophobicContact CG2-CD2 4.26Å; V468-F500 HydrophobicContact CG2-CE2 4.14Å; T470-F500 HydrophobicContact CG2-CE1 4.43Å; M490-F500 HydrophobicContact CB-CE1 3.94Å; M490-F500 HydrophobicContact CG-CE1 3.56Å; M490-F500 HydrophobicContact CG-CZ 3.96Å; M490-F500 HydrophobicContact SD-CE1 4.08Å; R493-F500 VanDerWaalsContact CZ-OXT 3.27Å; R493-F500 PolarHBondContact NH1-OXT 2.87Å |
Retrieved 500 of 500 residues in 303.9 ms
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