| 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 | 55.6 | Low | 54.2 | Low | 241 Ų | 241 | 129.7 Ų | 129.7 | 100% | 1.187 | 85% | 0.851 | S | S | * | * | 0 | 137.5 | 0 | -66.3 | 175.1 | 178.5 | 0 | 0 | 107.1 | |||||
| 2 | A | 54.1 | Low | 54.2 | Low | 106 Ų | 106 | 129.3 Ų | 129.3 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | trans | 48 | 106.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3 | S | 44.5 | Very low | 54.8 | Low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 85% | 0.848 | S | S | * | * | trans | -83 | 156.3 | 155 | -47.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | T | 67.1 | Low | 55.1 | Low | 143 Ų | 143 | 143.1 Ų | 143.1 | 88% | 0.877 | 85% | 0.853 | S | S | * | * | trans | 152.7 | 128.8 | 130.3 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | T | 51.4 | Low | 54.5 | Low | 136 Ų | 136 | 138.7 Ų | 138.7 | 83% | 0.834 | 85% | 0.849 | S | S | * | * | trans | -68.8 | 150.7 | 165.7 | -41.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | G | 62.5 | Low | 54 | Low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | trans | -146.5 | 124.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | D | 50.2 | Low | 53.9 | Low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 85% | 0.846 | S | S | * | * | trans | -87.2 | -179.2 | 178 | -80.9 | -83.9 | 0 | 0 | 0 | 112.4 | ||||
| 8 | D | 49.9 | Very low | 53.7 | Low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | trans | 70.3 | 108.2 | 161.9 | -60.6 | -52.3 | 0 | 0 | 0 | 119.8 | ||||
| 9 | A | 54.9 | Low | 53.7 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | -172.5 | 119.3 | 121.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 10 | V | 52.1 | Low | 53.4 | Low | 141 Ų | 141 | 128.2 Ų | 128.2 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | trans | -75.3 | 139.1 | 169.2 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 11 | G | 53.6 | Low | 53.2 | Low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 84% | 0.842 | S | S | * | * | trans | -138.3 | 66.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 12 | T | 54.6 | Low | 53.3 | Low | 125 Ų | 125 | 120.6 Ų | 120.6 | 77% | 0.767 | 82% | 0.824 | S | S | * | * | trans | -89.4 | 120.3 | -179.9 | -46.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | R | 61.5 | Low | 53.9 | Low | 238 Ų | 238 | 120.8 Ų | 120.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -145 | 116.4 | 166.8 | -49.5 | 179.4 | -168.2 | -121.1 | 2.1 | 105.7 | ||||
| 14 | K | 59.9 | Low | 54.9 | Low | 213 Ų | 213 | 121.1 Ų | 121.1 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | cis | 73.6 | 103 | 35.2 | -161.3 | 178.8 | -176.3 | 179.6 | 0 | 115 | ||||
| 15 | G | 46 | Very low | 54.4 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 148.7 | 130.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 16 | G | 46.7 | Very low | 54.3 | Low | 68 Ų | 68 | 119.9 Ų | 119.9 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 84 | 105.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 17 | T | 52.6 | Low | 53.6 | Low | 153 Ų | 153 | 121.5 Ų | 121.5 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | cis | 65.4 | 112 | 25.5 | 18 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 18 | G | 48.8 | Very low | 53.4 | Low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 149 | 77.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 19 | A | 55 | Low | 52.8 | Low | 104 Ų | 104 | 120.4 Ų | 120.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 89.1 | 111.6 | 81.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 20 | G | 47.8 | Very low | 52 | Low | 88 Ų | 88 | 122.7 Ų | 122.7 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | 56.1 | 90.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 21 | G | 47.5 | Very low | 51.5 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -141 | 101.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 22 | T | 59.4 | Low | 51 | Low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.4 | -179 | -36.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 23 | P | 65.7 | Low | 50.9 | Low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 130.9 | 169.7 | 28 | -33.7 | 0 | 0 | 0 | 109.4 | ||
| 24 | P | 65.2 | Low | 50.7 | Low | 118 Ų | 118 | 118 Ų | 118 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 133.2 | 169.5 | 27.5 | -32.3 | 0 | 0 | 0 | 108.8 | ||
| 25 | P | 56.8 | Low | 50.5 | Low | 104 Ų | 104 | 113 Ų | 113 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 156.8 | 174.5 | 29.1 | -34.9 | 0 | 0 | 0 | 110.4 | T27 | P25-T27 PolarHBondContact O-N 3.48Å; P25-T27 PolarHBondContact O-OG1 2.71Å |
| 26 | T | 49.9 | Very low | 50.9 | Low | 150 Ų | 150 | 114.9 Ų | 114.9 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | trans | -51 | 94.2 | 172.2 | 46.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 27 | T | 48.2 | Very low | 51.2 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | -102.4 | 92.9 | 177.4 | -32.3 | 0 | 0 | 0 | 0 | 109.8 | P25 | P25-T27 PolarHBondContact O-N 3.48Å; P25-T27 PolarHBondContact O-OG1 2.71Å | ||
| 28 | Q | 46 | Very low | 51.3 | Low | 146 Ų | 146 | 114.1 Ų | 114.1 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | 61.1 | 110.8 | 156.4 | -58.6 | 171.9 | 25.9 | 0 | 0 | 116.6 | Q30 | Q28-Q30 HydrophobicContact CB-CG 4.39Å; Q28-Q30 PolarHBondContact O-N 2.92Å | ||
| 29 | T | 36.8 | Very low | 51.6 | Low | 132 Ų | 132 | 120 Ų | 120 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -53.1 | 81.3 | 143.9 | -43.8 | 0 | 0 | 0 | 0 | 109.2 | T31 | T29-T31 PolarHBondContact O-N 3.35Š| ||
| 30 | Q | 38.4 | Very low | 52 | Low | 152 Ų | 152 | 116.8 Ų | 116.8 | 71% | 0.71 | 72% | 0.719 | S | S | * | * | trans | -68.8 | 85.2 | 157.9 | -72.4 | -169.5 | 35.1 | 0 | 0 | 106.2 | Q28 Q32 | Q28-Q30 HydrophobicContact CB-CG 4.39Å; Q28-Q30 PolarHBondContact O-N 2.92Å; Q30-Q32 PolarHBondContact O-N 3.24Å | ||
| 31 | T | 42.2 | Very low | 53.5 | Low | 111 Ų | 111 | 114.1 Ų | 114.1 | 68% | 0.681 | 68% | 0.684 | S | S | * | * | trans | -53.9 | 86.3 | 150.6 | -54.4 | 0 | 0 | 0 | 0 | 105.7 | T29 P33 | T29-T31 PolarHBondContact O-N 3.35Å; T31-P33 WeakPolarHBondContact O-CD 3.33Å; T31-P33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | Q | 43 | Very low | 55.5 | Low | 156 Ų | 156 | 118.6 Ų | 118.6 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 125.1 | 164.7 | -80.3 | -166.4 | 1.2 | 0 | 0 | 105 | Q30 P34 | Q30-Q32 PolarHBondContact O-N 3.24Å; Q32-P34 WeakPolarHBondContact O-CD 3.1Å |
| 33 | P | 51.6 | Low | 57.1 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 122.7 | 169.6 | -23.8 | 33.4 | 0 | 0 | 0 | 106 | T31 P35 | T31-P33 WeakPolarHBondContact O-CD 3.33Å; T31-P33 VanDerWaalsContact O-N 3.11Å; P33-P35 VanDerWaalsContact O-N 3.11Å |
| 34 | P | 57 | Low | 58.2 | Low | 103 Ų | 103 | 109.9 Ų | 109.9 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 128 | -179.4 | 19.8 | -31.6 | 0 | 0 | 0 | 107 | Q32 P36 | Q32-P34 WeakPolarHBondContact O-CD 3.1Å; P34-P36 VanDerWaalsContact O-N 3.12Å |
| 35 | P | 57.1 | Low | 59.2 | Low | 107 Ų | 107 | 108.2 Ų | 108.2 | 70% | 0.695 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 124.4 | -163.2 | 16.3 | -31.5 | 0 | 0 | 0 | 108.8 | P33 P37 | P33-P35 VanDerWaalsContact O-N 3.11Å; P35-P37 WeakPolarHBondContact O-CA 3.3Å |
| 36 | P | 53 | Low | 60.9 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 76% | 0.76 | 58% | 0.584 | S | S | * | * | trans | -49.1 | 115.1 | -156 | 15 | -30.8 | 0 | 0 | 0 | 109.3 | P34 E38 | P34-P36 VanDerWaalsContact O-N 3.12Å; P36-E38 WeakPolarHBondContact O-CA 3.28Å; P36-E38 PolarHBondContact O-N 3.39Å | ||
| 37 | P | 53.2 | Low | 62.9 | Low | 105 Ų | 105 | 103.3 Ų | 103.3 | 68% | 0.682 | 57% | 0.567 | S | S | * | * | trans | -58.6 | 105.1 | -149.5 | 18.8 | -33.2 | 0 | 0 | 0 | 110.2 | P35 Q39 G40 | P35-P37 WeakPolarHBondContact O-CA 3.3Å; P37-Q39 VanDerWaalsContact C-N 3.3Å; P37-Q39 CarbonylContact O-C 3.55Å; P37-Q39 WeakPolarHBondContact O-CA 3.21Å; P37-Q39 PolarHBondContact O-N 3.19Å; P37-G40 PolarHBondContact O-N 3.05Å | ||
| 38 | E | 55.1 | Low | 64.9 | Low | 100 Ų | 100 | 98.9 Ų | 98.9 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -33.7 | 87 | -159.4 | -168.6 | -148.3 | 153.6 | 0 | 0 | 112.4 | P36 G40 L41 K77 | P36-E38 WeakPolarHBondContact O-CA 3.28Å; P36-E38 PolarHBondContact O-N 3.39Å; E38-G40 WeakPolarHBondContact O-CA 3.12Å; E38-G40 PolarHBondContact O-N 3.36Å; E38-L41 PolarHBondContact O-N 3.5Å; E38-K77 IonicContact OE1-NZ 2.63Å; E38-K77 PolarHBondContact OE1-NZ 3.46Å |
| 39 | Q | 54.4 | Low | 67.2 | Low | 194 Ų | 194 | 96.4 Ų | 96.4 | 91% | 0.907 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | 5.5 | 68.4 | -158 | -74.6 | 165 | -13 | 0 | 0 | 114 | P37 L41 | P37-Q39 VanDerWaalsContact C-N 3.3Å; P37-Q39 CarbonylContact O-C 3.55Å; P37-Q39 WeakPolarHBondContact O-CA 3.21Å; P37-Q39 PolarHBondContact O-N 3.19Å; Q39-L41 PolarHBondContact O-N 2.91Å; Q39-L41 VanDerWaalsContact O-N 3.1Å |
| 40 | G | 63.3 | Low | 69.8 | Low | 36 Ų | 36 | 94.1 Ų | 94.1 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | 2.7 | 78.4 | -167 | 0 | 0 | 0 | 0 | 0 | 116.4 | P37 E38 R42 | P37-G40 PolarHBondContact O-N 3.05Å; E38-G40 WeakPolarHBondContact O-CA 3.12Å; E38-G40 PolarHBondContact O-N 3.36Å; G40-R42 WeakPolarHBondContact O-CG 3.2Å; G40-R42 PolarHBondContact O-N 3.5Å |
| 41 | L | 80.6 | Confident | 72.4 | Confident | 33 Ų | 33 | 88.5 Ų | 88.5 | 17% | 0.173 | 50% | 0.495 | C | S | . | . | trans | -56.9 | 102.6 | -179.3 | -54.4 | 176.8 | 0 | 0 | 0 | 111.4 | E38 Q39 T51 Y66 W75 K77 | E38-L41 PolarHBondContact O-N 3.5Å; Q39-L41 PolarHBondContact O-N 2.91Å; Q39-L41 VanDerWaalsContact O-N 3.1Å; L41-T51 VanDerWaalsContact O-CG2 3.24Å; L41-T51 WeakPolarHBondContact O-CG2 3.44Å; L41-T51 PolarHBondContact O-OG1 2.84Å; L41-Y66 HydrophobicContact CD1-CD1 4.34Å; L41-Y66 HydrophobicContact CD1-CE1 3.61Å; L41-Y66 HydrophobicContact CD1-CE2 4.28Å; L41-W75 HydrophobicContact CB-CH2 3.6Å; L41-W75 HydrophobicContact CB-CZ2 4.04Å; L41-W75 HydrophobicContact CD1-CH2 4.04Å; L41-W75 HydrophobicContact CG-CH2 4.45Å; L41-K77 HydrophobicContact CD1-CB 4.46Å; L41-K77 HydrophobicContact CD1-CD 3.67Å; L41-K77 HydrophobicContact CD1-CG 4.15Å; L41-K77 HydrophobicContact CD2-CD 4.19Å; L41-K77 HydrophobicContact CD2-CG 4.49Å | ||
| 42 | R | 89.8 | Confident | 74.9 | Confident | 172 Ų | 172 | 91 Ų | 91 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | trans | -71 | 142.2 | -176.6 | -60 | -172.1 | -176.3 | -159 | 1.8 | 110.2 | G40 P44 | G40-R42 WeakPolarHBondContact O-CG 3.2Å; G40-R42 PolarHBondContact O-N 3.5Å; R42-P44 VanDerWaalsContact O-CD 3.3Å; R42-P44 WeakPolarHBondContact O-CD 3.25Å | ||
| 43 | C | 91.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 48% | 0.479 | C | S | . | . | trans | -70.2 | 118.1 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | R45 C46 D47 S48 T51 C68 C71 | C43-R45 PolarHBondContact O-N 2.95Å; C43-C46 PolarHBondContact O-N 3.41Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C43-D47 WeakPolarHBondContact O-CA 3.28Å; C43-D47 PolarHBondContact O-N 3.18Å; C43-S48 PolarHBondContact N-O 3.23Å; C43-T51 HydrophobicContact CB-CG2 3.77Å; C43-C68 HydrophobicContact CB-CB 3.66Å; C43-C68 VanDerWaalsContact CB-SG 3.53Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C43-C71 VanDerWaalsContact SG-SG 3.64Å | ||
| 44 | P | 89.5 | Confident | 79.3 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 37% | 0.37 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 20.3 | -175.4 | 32.3 | -38.8 | 0 | 0 | 0 | 114.2 | R42 W75 | R42-P44 VanDerWaalsContact O-CD 3.3Å; R42-P44 WeakPolarHBondContact O-CD 3.25Å; P44-W75 HydrophobicContact CG-CB 4.5Å; P44-W75 HydrophobicContact CG-CD2 4.43Å; P44-W75 HydrophobicContact CG-CE3 4.22Å |
| 45 | R | 86.8 | Confident | 81.2 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -13.4 | 178.5 | -63.2 | -176.1 | 169.6 | 177.6 | -6.7 | 113.5 | C43 L81 | C43-R45 PolarHBondContact O-N 2.95Å; R45-L81 HydrophobicContact CG-CD1 4.21Å |
| 46 | C | 91.4 | Very high | 83 | Confident | 47 Ų | 47 | 85 Ų | 85 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160.8 | 7.5 | -175.5 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | C43 S48 C68 C71 | C43-C46 PolarHBondContact O-N 3.41Å; C43-C46 VanDerWaalsContact O-N 3.14Å; C46-S48 PolarHBondContact O-N 2.96Å; C46-C68 VanDerWaalsContact SG-SG 3.62Å; C46-C71 HydrophobicContact CB-CB 4.08Å; C46-C71 PolarHBondContact SG-SG 2.81Å |
| 47 | D | 91.5 | Very high | 84.8 | Confident | 105 Ų | 105 | 80.6 Ų | 80.6 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | trans | 54.1 | 8.3 | 177.8 | -51.4 | -57.6 | 0 | 0 | 0 | 116.9 | C43 | C43-D47 WeakPolarHBondContact O-CA 3.28Å; C43-D47 PolarHBondContact O-N 3.18Å | ||
| 48 | S | 90.9 | Very high | 86.6 | Confident | 14 Ų | 14 | 81.4 Ų | 81.4 | 10% | 0.098 | 41% | 0.408 | C | S | . | . | trans | -62.6 | 132.3 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | C43 C46 N50 T70 | C43-S48 PolarHBondContact N-O 3.23Å; C46-S48 PolarHBondContact O-N 2.96Å; S48-N50 PolarHBondContact O-N 3.2Å; S48-N50 WeakPolarHBondContact OG-CB 3.36Å; S48-N50 PolarHBondContact OG-N 2.92Å; S48-T70 WeakPolarHBondContact CB-OG1 3.48Å; S48-T70 WeakPolarHBondContact OG-CB 3.35Å; S48-T70 PolarHBondContact OG-OG1 2.9Å | ||
| 49 | P | 93.9 | Very high | 88.2 | Confident | 93 Ų | 93 | 87.5 Ų | 87.5 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -75 | -7.1 | 170.7 | 33.5 | -36.3 | 0 | 0 | 0 | 112.4 | T51 | P49-T51 PolarHBondContact O-N 2.86Š|
| 50 | N | 92.4 | Very high | 89.8 | Confident | 85 Ų | 85 | 80 Ų | 80 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | trans | -83.6 | 69.9 | -178.3 | -146.2 | -87.8 | 0 | 0 | 0 | 110.8 | S48 K69 | S48-N50 PolarHBondContact O-N 3.2Å; S48-N50 WeakPolarHBondContact OG-CB 3.36Å; S48-N50 PolarHBondContact OG-N 2.92Å; N50-K69 HydrophobicContact CB-CB 4.34Å; N50-K69 PolarHBondContact O-N 3.15Å; N50-K69 WeakPolarHBondContact OD1-CB 3.1Å; N50-K69 WeakPolarHBondContact OD1-CD 3.36Å | ||
| 51 | T | 93.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 84.6 Ų | 84.6 | 20% | 0.202 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 150.2 | 173 | 73.7 | 0 | 0 | 0 | 0 | 110.4 | L41 C43 P49 F67 C68 W75 | L41-T51 VanDerWaalsContact O-CG2 3.24Å; L41-T51 WeakPolarHBondContact O-CG2 3.44Å; L41-T51 PolarHBondContact O-OG1 2.84Å; C43-T51 HydrophobicContact CB-CG2 3.77Å; P49-T51 PolarHBondContact O-N 2.86Å; T51-F67 CarbonylContact C-O 3.56Å; T51-F67 VanDerWaalsContact CA-O 3.29Å; T51-F67 WeakPolarHBondContact CA-O 3.39Å; T51-C68 HydrophobicContact CG2-CB 4.15Å; T51-W75 HydrophobicContact CG2-CZ2 3.9Å |
| 52 | K | 94.1 | Very high | 91.5 | Very high | 163 Ų | 163 | 88.3 Ų | 88.3 | 71% | 0.709 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 138.5 | 175.8 | -165.4 | -166.6 | 173.7 | 179.6 | 0 | 109.1 | Y66 F67 | K52-Y66 CarbonylContact O-C 3.49Å; K52-Y66 VanDerWaalsContact O-CA 3.26Å; K52-Y66 WeakPolarHBondContact O-CA 3.23Å; K52-F67 PolarHBondContact N-O 2.9Å; K52-F67 PolarHBondContact O-N 3.43Å |
| 53 | F | 93.7 | Very high | 91.5 | Very high | 81 Ų | 81 | 83.4 Ų | 83.4 | 36% | 0.355 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 139.8 | 163.9 | 174 | -95.9 | 0 | 0 | 0 | 110.1 | Y56 P64 Y66 | F53-Y56 HydrophobicContact CE1-CE2 4.39Å; F53-Y56 HydrophobicContact CE2-CD1 4.13Å; F53-Y56 HydrophobicContact CE2-CD2 4.45Å; F53-Y56 AromaticContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE2 4.2Å; F53-Y56 HydrophobicContact CE2-CG 4.41Å; F53-Y56 AromaticContact CE2-CZ 3.91Å; F53-Y56 HydrophobicContact CZ-CD1 4.25Å; F53-Y56 AromaticContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CE1 4.07Å; F53-Y56 AromaticContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CG 4.11Å; F53-Y56 AromaticContact CZ-CZ 3.7Å; F53-P64 HydrophobicContact CD2-CB 3.98Å; F53-P64 HydrophobicContact CE2-CB 3.73Å; F53-Y66 HydrophobicContact CB-CD1 4.3Å; F53-Y66 HydrophobicContact CB-CE1 4.21Å |
| 54 | C | 93.9 | Very high | 91.6 | Very high | 61 Ų | 61 | 84.6 Ų | 84.6 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -52.7 | -175.4 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | R65 F67 Y74 | C54-R65 PolarHBondContact N-O 3.46Å; C54-F67 HydrophobicContact CB-CB 4.3Å; C54-Y74 HydrophobicContact CB-CE1 4.3Å |
| 55 | Y | 95.8 | Very high | 91.8 | Very high | 104 Ų | 104 | 84 Ų | 84 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 166.6 | 176.9 | 66.4 | -75.5 | 0 | 0 | 0 | 111.6 | R65 Y74 | Y55-R65 HydrophobicContact CD1-CB 4.36Å; Y55-R65 HydrophobicContact CE1-CB 4.28Å; Y55-R65 WeakPolarHBondContact O-CB 3.21Å; Y55-R65 PolarHBondContact O-N 2.9Å; Y55-R65 WeakPolarHBondContact OH-CD 3.32Å; Y55-R65 PolarHBondContact OH-NE 2.87Å; Y55-Y74 HydrophobicContact CE1-CE1 4.42Å |
| 56 | Y | 94.8 | Very high | 92.1 | Very high | 102 Ų | 102 | 80.9 Ų | 80.9 | 40% | 0.4 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.2 | 170.3 | -66.2 | -71.9 | 0 | 0 | 0 | 110.9 | F53 S60 L61 P64 | F53-Y56 HydrophobicContact CE1-CE2 4.39Å; F53-Y56 HydrophobicContact CE2-CD1 4.13Å; F53-Y56 HydrophobicContact CE2-CD2 4.45Å; F53-Y56 AromaticContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE1 3.88Å; F53-Y56 HydrophobicContact CE2-CE2 4.2Å; F53-Y56 HydrophobicContact CE2-CG 4.41Å; F53-Y56 AromaticContact CE2-CZ 3.91Å; F53-Y56 HydrophobicContact CZ-CD1 4.25Å; F53-Y56 AromaticContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CD2 3.77Å; F53-Y56 HydrophobicContact CZ-CE1 4.07Å; F53-Y56 AromaticContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CE2 3.54Å; F53-Y56 HydrophobicContact CZ-CG 4.11Å; F53-Y56 AromaticContact CZ-CZ 3.7Å; Y56-S60 WeakPolarHBondContact CD1-O 3.37Å; Y56-L61 HydrophobicContact CD1-CD2 4.3Å; Y56-L61 HydrophobicContact CD2-CD2 3.9Å; Y56-L61 HydrophobicContact CE1-CB 4.42Å; Y56-L61 HydrophobicContact CE1-CD2 4.01Å; Y56-L61 WeakPolarHBondContact CE1-O 3.16Å; Y56-L61 HydrophobicContact CE2-CD2 3.59Å; Y56-L61 HydrophobicContact CG-CD2 4.25Å; Y56-P64 HydrophobicContact CD1-CB 4.16Å; Y56-P64 HydrophobicContact CE1-CB 3.98Å |
| 57 | N | 91.7 | Very high | 92.3 | Very high | 25 Ų | 25 | 81.5 Ų | 81.5 | 13% | 0.134 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -74.9 | 143.9 | 175.2 | -166.7 | 73.4 | 0 | 0 | 0 | 110.5 | Y59 S60 Q63 R65 | N57-Y59 PolarHBondContact O-N 3.44Å; N57-S60 PolarHBondContact O-N 2.87Å; N57-S60 PolarHBondContact O-OG 2.97Å; N57-Q63 HydrophobicContact CB-CB 4.06Å; N57-Q63 HydrophobicContact CB-CG 3.79Å; N57-Q63 PolarHBondContact N-O 3Å; N57-Q63 PolarHBondContact ND2-OE1 2.9Å; N57-R65 HydrophobicContact CB-CG 4.23Å; N57-R65 VanDerWaalsContact CG-NH2 3.27Å; N57-R65 VanDerWaalsContact OD1-CZ 3.23Å; N57-R65 PolarHBondContact OD1-NE 3.38Å; N57-R65 PolarHBondContact OD1-NH2 3.41Å |
| 58 | N | 89.6 | Confident | 92.4 | Very high | 122 Ų | 122 | 76.5 Ų | 76.5 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | 52.6 | 23.7 | -178.4 | -53 | -29.5 | 0 | 0 | 0 | 114.1 | S60 Q63 | N58-S60 PolarHBondContact O-N 2.9Å; N58-S60 VanDerWaalsContact O-N 3.09Å; N58-Q63 PolarHBondContact ND2-OE1 2.88Å |
| 59 | Y | 90.4 | Very high | 92.5 | Very high | 228 Ų | 228 | 83 Ų | 83 | 89% | 0.894 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | 57.3 | 13.7 | -171.8 | -49.7 | -81 | 0 | 0 | 0 | 115.2 | N57 | N57-Y59 PolarHBondContact O-N 3.44Š|
| 60 | S | 87.1 | Confident | 92.5 | Very high | 35 Ų | 35 | 82.9 Ų | 82.9 | 25% | 0.245 | 41% | 0.406 | C | S | . | . | trans | -91.3 | 126.2 | -179.9 | 68 | 0 | 0 | 0 | 0 | 112.1 | Y56 N57 N58 S62 Q63 | Y56-S60 WeakPolarHBondContact CD1-O 3.37Å; N57-S60 PolarHBondContact O-N 2.87Å; N57-S60 PolarHBondContact O-OG 2.97Å; N58-S60 PolarHBondContact O-N 2.9Å; N58-S60 VanDerWaalsContact O-N 3.09Å; S60-S62 PolarHBondContact O-N 3.07Å; S60-S62 VanDerWaalsContact O-N 3.11Å; S60-S62 PolarHBondContact OG-OG 3.35Å; S60-Q63 PolarHBondContact O-N 2.94Å; S60-Q63 WeakPolarHBondContact OG-CB 3.46Å | ||
| 61 | L | 89.7 | Confident | 92.6 | Very high | 133 Ų | 133 | 80.5 Ų | 80.5 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.3 | 176.1 | -61.6 | 179.7 | 0 | 0 | 0 | 112.7 | Y56 Q63 | Y56-L61 HydrophobicContact CD1-CD2 4.3Å; Y56-L61 HydrophobicContact CD2-CD2 3.9Å; Y56-L61 HydrophobicContact CE1-CB 4.42Å; Y56-L61 HydrophobicContact CE1-CD2 4.01Å; Y56-L61 WeakPolarHBondContact CE1-O 3.16Å; Y56-L61 HydrophobicContact CE2-CD2 3.59Å; Y56-L61 HydrophobicContact CG-CD2 4.25Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 2.95Å |
| 62 | S | 90 | Very high | 92.6 | Very high | 111 Ų | 111 | 88.7 Ų | 88.7 | 78% | 0.776 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.2 | 174.4 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | S60 P64 | S60-S62 PolarHBondContact O-N 3.07Å; S60-S62 VanDerWaalsContact O-N 3.11Å; S60-S62 PolarHBondContact OG-OG 3.35Å; S62-P64 WeakPolarHBondContact O-CD 3.39Å |
| 63 | Q | 90.1 | Very high | 92.5 | Very high | 69 Ų | 69 | 84.9 Ų | 84.9 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | trans | -124.6 | 59.5 | -177.2 | -153.6 | 174.2 | 25.7 | 0 | 0 | 114 | N57 N58 S60 L61 R65 | N57-Q63 HydrophobicContact CB-CB 4.06Å; N57-Q63 HydrophobicContact CB-CG 3.79Å; N57-Q63 PolarHBondContact N-O 3Å; N57-Q63 PolarHBondContact ND2-OE1 2.9Å; N58-Q63 PolarHBondContact ND2-OE1 2.88Å; S60-Q63 PolarHBondContact O-N 2.94Å; S60-Q63 WeakPolarHBondContact OG-CB 3.46Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 2.95Å; Q63-R65 PolarHBondContact O-N 3.14Å | ||
| 64 | P | 92.9 | Very high | 92.5 | Very high | 25 Ų | 25 | 86.4 Ų | 86.4 | 16% | 0.162 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128.5 | 177.7 | 29 | -35.1 | 0 | 0 | 0 | 112.1 | F53 Y56 S62 Y66 | F53-P64 HydrophobicContact CD2-CB 3.98Å; F53-P64 HydrophobicContact CE2-CB 3.73Å; Y56-P64 HydrophobicContact CD1-CB 4.16Å; Y56-P64 HydrophobicContact CE1-CB 3.98Å; S62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-Y66 HydrophobicContact CB-CE2 3.95Å; P64-Y66 HydrophobicContact CG-CE2 4.1Å |
| 65 | R | 93.1 | Very high | 92.4 | Very high | 46 Ų | 46 | 84.5 Ų | 84.5 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.5 | 171.8 | -68.5 | 179.3 | 174.6 | -69.4 | -0.2 | 111.1 | C54 Y55 N57 Q63 W75 T76 | C54-R65 PolarHBondContact N-O 3.46Å; Y55-R65 HydrophobicContact CD1-CB 4.36Å; Y55-R65 HydrophobicContact CE1-CB 4.28Å; Y55-R65 WeakPolarHBondContact O-CB 3.21Å; Y55-R65 PolarHBondContact O-N 2.9Å; Y55-R65 WeakPolarHBondContact OH-CD 3.32Å; Y55-R65 PolarHBondContact OH-NE 2.87Å; N57-R65 HydrophobicContact CB-CG 4.23Å; N57-R65 VanDerWaalsContact CG-NH2 3.27Å; N57-R65 VanDerWaalsContact OD1-CZ 3.23Å; N57-R65 PolarHBondContact OD1-NE 3.38Å; N57-R65 PolarHBondContact OD1-NH2 3.41Å; Q63-R65 PolarHBondContact O-N 3.14Å; R65-W75 WeakPolarHBondContact CA-O 3.17Å; R65-T76 HydrophobicContact CG-CG2 3.91Å |
| 66 | Y | 94.4 | Very high | 92.1 | Very high | 17 Ų | 17 | 81.3 Ų | 81.3 | 7% | 0.067 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.5 | 176.8 | -63.1 | -99.7 | 0 | 0 | 0 | 109.6 | L41 K52 F53 P64 Y74 W75 K77 | L41-Y66 HydrophobicContact CD1-CD1 4.34Å; L41-Y66 HydrophobicContact CD1-CE1 3.61Å; L41-Y66 HydrophobicContact CD1-CE2 4.28Å; K52-Y66 CarbonylContact O-C 3.49Å; K52-Y66 VanDerWaalsContact O-CA 3.26Å; K52-Y66 WeakPolarHBondContact O-CA 3.23Å; F53-Y66 HydrophobicContact CB-CD1 4.3Å; F53-Y66 HydrophobicContact CB-CE1 4.21Å; P64-Y66 HydrophobicContact CB-CE2 3.95Å; P64-Y66 HydrophobicContact CG-CE2 4.1Å; Y66-Y74 CarbonylContact O-C 3.55Å; Y66-Y74 VanDerWaalsContact O-CA 3.28Å; Y66-Y74 WeakPolarHBondContact O-CA 3.13Å; Y66-W75 HydrophobicContact CD1-CH2 4.26Å; Y66-W75 HydrophobicContact CD1-CZ2 4.05Å; Y66-W75 AromaticContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CZ2 4.11Å; Y66-W75 HydrophobicContact CD2-CZ3 4.21Å; Y66-W75 HydrophobicContact CE2-CH2 4.39Å; Y66-W75 AromaticContact CG-CH2 3.78Å; Y66-W75 HydrophobicContact CG-CH2 3.78Å; Y66-W75 AromaticContact CG-CZ2 3.59Å; Y66-W75 HydrophobicContact CG-CZ2 3.59Å; Y66-W75 PolarHBondContact N-O 2.76Å; Y66-W75 PolarHBondContact O-N 3.5Å; Y66-K77 HydrophobicContact CD2-CB 4.47Å; Y66-K77 HydrophobicContact CE2-CB 3.75Å |
| 67 | F | 94.1 | Very high | 91.6 | Very high | 60 Ų | 60 | 81.4 Ų | 81.4 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.9 | 172.3 | 179.9 | -104.9 | 0 | 0 | 0 | 109.7 | T51 K52 C54 R72 Y74 | T51-F67 CarbonylContact C-O 3.56Å; T51-F67 VanDerWaalsContact CA-O 3.29Å; T51-F67 WeakPolarHBondContact CA-O 3.39Å; K52-F67 PolarHBondContact N-O 2.9Å; K52-F67 PolarHBondContact O-N 3.43Å; C54-F67 HydrophobicContact CB-CB 4.3Å; F67-R72 HydrophobicContact CE2-CB 4.37Å; F67-R72 HydrophobicContact CZ-CB 4.1Å; F67-R72 HydrophobicContact CZ-CG 4.38Å; F67-Y74 HydrophobicContact CB-CD1 3.95Å; F67-Y74 HydrophobicContact CB-CE1 3.85Å; F67-Y74 AromaticContact CD2-CD1 3.86Å; F67-Y74 HydrophobicContact CD2-CD1 3.86Å; F67-Y74 AromaticContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE2 4.3Å; F67-Y74 HydrophobicContact CD2-CG 4.37Å; F67-Y74 AromaticContact CD2-CZ 3.78Å; F67-Y74 HydrophobicContact CE2-CE1 4.5Å; F67-Y74 HydrophobicContact CG-CD1 4.41Å; F67-Y74 HydrophobicContact CG-CE1 4.09Å |
| 68 | C | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.1 | 170.1 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | C43 C46 T51 T70 C71 R72 R73 | C43-C68 HydrophobicContact CB-CB 3.66Å; C43-C68 VanDerWaalsContact CB-SG 3.53Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C46-C68 VanDerWaalsContact SG-SG 3.62Å; T51-C68 HydrophobicContact CG2-CB 4.15Å; C68-T70 VanDerWaalsContact C-N 3.33Å; C68-T70 PolarHBondContact O-N 3.1Å; C68-C71 VanDerWaalsContact SG-SG 3.64Å; C68-R72 WeakPolarHBondContact O-CA 3.5Å; C68-R72 PolarHBondContact O-N 2.9Å; C68-R73 PolarHBondContact N-O 2.73Å |
| 69 | K | 93.8 | Very high | 90.5 | Very high | 149 Ų | 149 | 80.4 Ų | 80.4 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -34.3 | -179.9 | -160.6 | -178.8 | -177.7 | -174.5 | 0 | 112.3 | N50 | N50-K69 HydrophobicContact CB-CB 4.34Å; N50-K69 PolarHBondContact O-N 3.15Å; N50-K69 WeakPolarHBondContact OD1-CB 3.1Å; N50-K69 WeakPolarHBondContact OD1-CD 3.36Å |
| 70 | T | 93.6 | Very high | 89.5 | Confident | 91 Ų | 91 | 74.2 Ų | 74.2 | 56% | 0.558 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -52.8 | -177.9 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | S48 C68 | S48-T70 WeakPolarHBondContact CB-OG1 3.48Å; S48-T70 WeakPolarHBondContact OG-CB 3.35Å; S48-T70 PolarHBondContact OG-OG1 2.9Å; C68-T70 VanDerWaalsContact C-N 3.33Å; C68-T70 PolarHBondContact O-N 3.1Å |
| 71 | C | 93.6 | Very high | 88.7 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 2.3 | -179.4 | 69.6 | 0 | 0 | 0 | 0 | 114.6 | C43 C46 C68 R73 | C43-C71 VanDerWaalsContact SG-SG 3.64Å; C46-C71 HydrophobicContact CB-CB 4.08Å; C46-C71 PolarHBondContact SG-SG 2.81Å; C68-C71 VanDerWaalsContact SG-SG 3.64Å; C71-R73 WeakPolarHBondContact O-CG 3.5Å; C71-R73 PolarHBondContact O-N 2.95Å |
| 72 | R | 93.9 | Very high | 87.9 | Confident | 206 Ų | 206 | 78.2 Ų | 78.2 | 78% | 0.777 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37.8 | -179.5 | -57.2 | -175.3 | -176.8 | -178.2 | 0.2 | 114 | F67 C68 | F67-R72 HydrophobicContact CE2-CB 4.37Å; F67-R72 HydrophobicContact CZ-CB 4.1Å; F67-R72 HydrophobicContact CZ-CG 4.38Å; C68-R72 WeakPolarHBondContact O-CA 3.5Å; C68-R72 PolarHBondContact O-N 2.9Å |
| 73 | R | 91.9 | Very high | 86.2 | Confident | 83 Ų | 83 | 81 Ų | 81 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140 | -176.1 | -76.9 | 166.4 | 176.6 | -121.7 | 10.4 | 111.2 | C68 C71 G89 | C68-R73 PolarHBondContact N-O 2.73Å; C71-R73 WeakPolarHBondContact O-CG 3.5Å; C71-R73 PolarHBondContact O-N 2.95Å; R73-G89 PolarHBondContact NH2-O 3.21Å |
| 74 | Y | 93.2 | Very high | 84.5 | Confident | 112 Ų | 112 | 80.2 Ų | 80.2 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 144.2 | 169.5 | -58.6 | -77.4 | 0 | 0 | 0 | 111.6 | C54 Y55 Y66 F67 | C54-Y74 HydrophobicContact CB-CE1 4.3Å; Y55-Y74 HydrophobicContact CE1-CE1 4.42Å; Y66-Y74 CarbonylContact O-C 3.55Å; Y66-Y74 VanDerWaalsContact O-CA 3.28Å; Y66-Y74 WeakPolarHBondContact O-CA 3.13Å; F67-Y74 HydrophobicContact CB-CD1 3.95Å; F67-Y74 HydrophobicContact CB-CE1 3.85Å; F67-Y74 AromaticContact CD2-CD1 3.86Å; F67-Y74 HydrophobicContact CD2-CD1 3.86Å; F67-Y74 AromaticContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE1 3.54Å; F67-Y74 HydrophobicContact CD2-CE2 4.3Å; F67-Y74 HydrophobicContact CD2-CG 4.37Å; F67-Y74 AromaticContact CD2-CZ 3.78Å; F67-Y74 HydrophobicContact CE2-CE1 4.5Å; F67-Y74 HydrophobicContact CG-CD1 4.41Å; F67-Y74 HydrophobicContact CG-CE1 4.09Å |
| 75 | W | 91.3 | Very high | 83 | Confident | 21 Ų | 21 | 83.9 Ų | 83.9 | 8% | 0.08 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 174.5 | 175.2 | 66.5 | -81.7 | 0 | 0 | 0 | 109.8 | L41 P44 T51 R65 Y66 K77 | L41-W75 HydrophobicContact CB-CH2 3.6Å; L41-W75 HydrophobicContact CB-CZ2 4.04Å; L41-W75 HydrophobicContact CD1-CH2 4.04Å; L41-W75 HydrophobicContact CG-CH2 4.45Å; P44-W75 HydrophobicContact CG-CB 4.5Å; P44-W75 HydrophobicContact CG-CD2 4.43Å; P44-W75 HydrophobicContact CG-CE3 4.22Å; T51-W75 HydrophobicContact CG2-CZ2 3.9Å; R65-W75 WeakPolarHBondContact CA-O 3.17Å; Y66-W75 HydrophobicContact CD1-CH2 4.26Å; Y66-W75 HydrophobicContact CD1-CZ2 4.05Å; Y66-W75 AromaticContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CH2 3.84Å; Y66-W75 HydrophobicContact CD2-CZ2 4.11Å; Y66-W75 HydrophobicContact CD2-CZ3 4.21Å; Y66-W75 HydrophobicContact CE2-CH2 4.39Å; Y66-W75 AromaticContact CG-CH2 3.78Å; Y66-W75 HydrophobicContact CG-CH2 3.78Å; Y66-W75 AromaticContact CG-CZ2 3.59Å; Y66-W75 HydrophobicContact CG-CZ2 3.59Å; Y66-W75 PolarHBondContact N-O 2.76Å; Y66-W75 PolarHBondContact O-N 3.5Å; W75-K77 HydrophobicContact CZ3-CB 4.24Å |
| 76 | T | 91.3 | Very high | 81.2 | Confident | 37 Ų | 37 | 88.6 Ų | 88.6 | 23% | 0.227 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135.4 | -175.1 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | R65 | R65-T76 HydrophobicContact CG-CG2 3.91Å |
| 77 | K | 84.1 | Confident | 79.6 | Confident | 104 Ų | 104 | 91.3 Ų | 91.3 | 45% | 0.452 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 131.5 | 175.2 | -168.3 | -176.2 | -170 | 173.6 | 0 | 110 | E38 L41 Y66 W75 G79 | E38-K77 IonicContact OE1-NZ 2.63Å; E38-K77 PolarHBondContact OE1-NZ 3.46Å; L41-K77 HydrophobicContact CD1-CB 4.46Å; L41-K77 HydrophobicContact CD1-CD 3.67Å; L41-K77 HydrophobicContact CD1-CG 4.15Å; L41-K77 HydrophobicContact CD2-CD 4.19Å; L41-K77 HydrophobicContact CD2-CG 4.49Å; Y66-K77 HydrophobicContact CD2-CB 4.47Å; Y66-K77 HydrophobicContact CE2-CB 3.75Å; W75-K77 HydrophobicContact CZ3-CB 4.24Å; K77-G79 PolarHBondContact O-N 3.48Å |
| 78 | G | 80 | Confident | 77.8 | Confident | 89 Ų | 89 | 91.5 Ų | 91.5 | 92% | 0.918 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 79 | G | 77.4 | Confident | 76.2 | Confident | 37 Ų | 37 | 93.2 Ų | 93.2 | 38% | 0.381 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -74.9 | 136.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | K77 L81 | K77-G79 PolarHBondContact O-N 3.48Å; G79-L81 PolarHBondContact O-N 2.74Å; G79-L81 VanDerWaalsContact O-N 3.1Å |
| 80 | A | 68.9 | Low | 74.4 | Confident | 98 Ų | 98 | 91.7 Ų | 91.7 | 81% | 0.81 | 55% | 0.551 | S | S | * | * | trans | -52.1 | 121.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R82 | A80-R82 PolarHBondContact O-N 3.4Š| ||
| 81 | L | 70.3 | Confident | 72.7 | Confident | 58 Ų | 58 | 98.9 Ų | 98.9 | 30% | 0.304 | 57% | 0.568 | S | S | . | * | trans | -62.7 | 108.7 | 170.5 | -179.3 | 67.2 | 0 | 0 | 0 | 106.1 | R45 G79 N83 | R45-L81 HydrophobicContact CG-CD1 4.21Å; G79-L81 PolarHBondContact O-N 2.74Å; G79-L81 VanDerWaalsContact O-N 3.1Å; L81-N83 PolarHBondContact O-N 3.07Å | ||
| 82 | R | 74.2 | Confident | 70.7 | Confident | 195 Ų | 195 | 106 Ų | 106 | 74% | 0.736 | 60% | 0.595 | S | S | * | * | trans | -41.4 | 121.4 | 171.6 | -64.6 | 177.5 | -176.7 | 155.6 | -2.8 | 107.4 | A80 V84 | A80-R82 PolarHBondContact O-N 3.4Å; R82-V84 VanDerWaalsContact O-CG2 3.26Å; R82-V84 WeakPolarHBondContact O-CG2 3.41Å; R82-V84 PolarHBondContact O-N 3.47Å | ||
| 83 | N | 53.3 | Low | 68.4 | Low | 169 Ų | 169 | 102.5 Ų | 102.5 | 90% | 0.904 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -49.1 | 98 | -165.1 | -68.9 | -35.8 | 0 | 0 | 0 | 111.2 | L81 | L81-N83 PolarHBondContact O-N 3.07Š|
| 84 | V | 53.9 | Low | 66.2 | Low | 52 Ų | 52 | 107 Ų | 107 | 32% | 0.315 | 61% | 0.614 | S | S | . | * | trans | -119.4 | 109.3 | 179.2 | 163.4 | 0 | 0 | 0 | 0 | 104.2 | R82 V86 | R82-V84 VanDerWaalsContact O-CG2 3.26Å; R82-V84 WeakPolarHBondContact O-CG2 3.41Å; R82-V84 PolarHBondContact O-N 3.47Å; V84-V86 PolarHBondContact O-N 3.44Å | ||
| 85 | P | 61.5 | Low | 64.2 | Low | 103 Ų | 103 | 112 Ų | 112 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | trans | -55.8 | 129.9 | 176.1 | 21.6 | -31.8 | 0 | 0 | 0 | 109.2 | G87 G88 | P85-G87 VanDerWaalsContact C-N 3.3Å; P85-G87 PolarHBondContact O-N 2.75Å; P85-G88 PolarHBondContact O-N 2.84Å | ||
| 86 | V | 55.5 | Low | 62.2 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 88% | 0.879 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 90.9 | -178.6 | -179 | 0 | 0 | 0 | 0 | 108 | V84 | V84-V86 PolarHBondContact O-N 3.44Š|
| 87 | G | 60.5 | Low | 60.4 | Low | 73 Ų | 73 | 122.8 Ų | 122.8 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.7 | -29.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P85 G89 | P85-G87 VanDerWaalsContact C-N 3.3Å; P85-G87 PolarHBondContact O-N 2.75Å; G87-G89 PolarHBondContact O-N 3.42Å |
| 88 | G | 57.1 | Low | 59 | Low | 64 Ų | 64 | 120.3 Ų | 120.3 | 66% | 0.66 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 14.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P85 | P85-G88 PolarHBondContact O-N 2.84Š|
| 89 | G | 61.3 | Low | 57.9 | Low | 37 Ų | 37 | 119 Ų | 119 | 38% | 0.381 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.6 | -27.6 | -158.5 | 0 | 0 | 0 | 0 | 0 | 117 | R73 G87 | R73-G89 PolarHBondContact NH2-O 3.21Å; G87-G89 PolarHBondContact O-N 3.42Å |
| 90 | C | 55.6 | Low | 57 | Low | 116 Ų | 116 | 120.4 Ų | 120.4 | 78% | 0.784 | 66% | 0.663 | S | S | * | * | trans | -112.5 | 86.6 | -168 | -143.4 | 0 | 0 | 0 | 0 | 111.3 | K92 | C90-K92 PolarHBondContact O-N 2.74Š| ||
| 91 | R | 57.4 | Low | 56.6 | Low | 242 Ų | 242 | 118.5 Ų | 118.5 | 91% | 0.913 | 65% | 0.647 | S | S | * | * | trans | -68.5 | 75 | 157.2 | -74.1 | -170.1 | -179.9 | -161.7 | 0.5 | 108.3 | N93 | R91-N93 VanDerWaalsContact C-N 3.27Å; R91-N93 PolarHBondContact O-N 3.2Å | ||
| 92 | K | 51.2 | Low | 56.4 | Low | 184 Ų | 184 | 120.4 Ų | 120.4 | 80% | 0.8 | 66% | 0.661 | S | S | * | * | trans | -67.1 | 98.8 | 160.1 | -172.4 | 153.6 | -176.4 | 172.8 | 0 | 105.2 | C90 K94 | C90-K92 PolarHBondContact O-N 2.74Å; K92-K94 PolarHBondContact O-N 3.28Å | ||
| 93 | N | 47.4 | Very low | 56 | Low | 133 Ų | 133 | 114 Ų | 114 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | trans | -56.7 | 93.1 | 162.7 | -90 | 51.1 | 0 | 0 | 0 | 106.6 | R91 R95 | R91-N93 VanDerWaalsContact C-N 3.27Å; R91-N93 PolarHBondContact O-N 3.2Å; N93-R95 PolarHBondContact O-N 2.96Å | ||
| 94 | K | 44.3 | Very low | 56.6 | Low | 177 Ų | 177 | 109 Ų | 109 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | trans | -53.5 | 127.6 | 158.3 | -168.8 | 176.7 | -176.4 | -175.8 | 0 | 104.6 | K92 S96 | K92-K94 PolarHBondContact O-N 3.28Å; K94-S96 PolarHBondContact O-N 3.3Å; K94-S96 PolarHBondContact O-OG 3.01Å | ||
| 95 | R | 50.8 | Low | 57.3 | Low | 217 Ų | 217 | 109.5 Ų | 109.5 | 82% | 0.819 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 59.7 | -172.7 | -170.5 | 162.3 | -169.4 | 162.1 | 3.8 | 109.8 | N93 S98 | N93-R95 PolarHBondContact O-N 2.96Å; R95-S98 WeakPolarHBondContact CG-OG 3.38Å; R95-S98 PolarHBondContact O-OG 2.9Å; R95-S98 VanDerWaalsContact O-OG 3.14Å |
| 96 | S | 50.5 | Low | 57.7 | Low | 70 Ų | 70 | 107.3 Ų | 107.3 | 49% | 0.49 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | -21 | -178.7 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | K94 S98 A99 A100 | K94-S96 PolarHBondContact O-N 3.3Å; K94-S96 PolarHBondContact O-OG 3.01Å; S96-S98 VanDerWaalsContact C-N 3.25Å; S96-S98 PolarHBondContact O-N 2.69Å; S96-A99 WeakPolarHBondContact O-CB 3.46Å; S96-A99 PolarHBondContact O-N 3.05Å; S96-A99 VanDerWaalsContact O-N 3.1Å; S96-A100 PolarHBondContact O-N 3.39Å; S96-A100 VanDerWaalsContact O-N 3.07Å |
| 97 | R | 53.1 | Low | 58.4 | Low | 216 Ų | 216 | 103.3 Ų | 103.3 | 82% | 0.815 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.2 | -27.4 | 168.4 | -82.3 | -167 | 174.7 | -155.1 | -2.8 | 113.1 | A101 | R97-A101 VanDerWaalsContact O-CB 3.23Å; R97-A101 WeakPolarHBondContact O-CB 3.16Å; R97-A101 PolarHBondContact O-N 2.9Å |
| 98 | S | 55.3 | Low | 58.8 | Low | 51 Ų | 51 | 102.8 Ų | 102.8 | 36% | 0.357 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.4 | -28 | 169.9 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | R95 S96 V102 | R95-S98 WeakPolarHBondContact CG-OG 3.38Å; R95-S98 PolarHBondContact O-OG 2.9Å; R95-S98 VanDerWaalsContact O-OG 3.14Å; S96-S98 VanDerWaalsContact C-N 3.25Å; S96-S98 PolarHBondContact O-N 2.69Å; S98-V102 WeakPolarHBondContact O-CB 3.28Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.45Å |
| 99 | A | 56.5 | Low | 59.3 | Low | 63 Ų | 63 | 102.3 Ų | 102.3 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68 | -44.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S96 A103 | S96-A99 WeakPolarHBondContact O-CB 3.46Å; S96-A99 PolarHBondContact O-N 3.05Å; S96-A99 VanDerWaalsContact O-N 3.1Å; A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 3.42Å |
| 100 | A | 59.3 | Low | 59.5 | Low | 65 Ų | 65 | 103.1 Ų | 103.1 | 54% | 0.537 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.8 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S96 A103 A104 | S96-A100 PolarHBondContact O-N 3.39Å; S96-A100 VanDerWaalsContact O-N 3.07Å; A100-A103 PolarHBondContact O-N 3.06Å; A100-A104 VanDerWaalsContact O-CB 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 2.94Å |
| 101 | A | 60.3 | Low | 59.9 | Low | 58 Ų | 58 | 100.4 Ų | 100.4 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.5 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R97 A105 | R97-A101 VanDerWaalsContact O-CB 3.23Å; R97-A101 WeakPolarHBondContact O-CB 3.16Å; R97-A101 PolarHBondContact O-N 2.9Å; A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.03Å |
| 102 | V | 64.6 | Low | 60.1 | Low | 99 Ų | 99 | 91.5 Ų | 91.5 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.7 | -36.6 | 175.1 | 173.3 | 0 | 0 | 0 | 0 | 111 | S98 A105 A106 | S98-V102 WeakPolarHBondContact O-CB 3.28Å; S98-V102 WeakPolarHBondContact O-CG2 3.37Å; S98-V102 PolarHBondContact O-N 3.45Å; V102-A105 PolarHBondContact O-N 3.22Å; V102-A106 VanDerWaalsContact O-CB 3.25Å; V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å |
| 103 | A | 65.6 | Low | 60.6 | Low | 61 Ų | 61 | 86.2 Ų | 86.2 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A99 A100 A106 A107 | A99-A103 WeakPolarHBondContact O-CB 3.45Å; A99-A103 PolarHBondContact O-N 3.42Å; A100-A103 PolarHBondContact O-N 3.06Å; A103-A106 PolarHBondContact O-N 2.7Å; A103-A107 WeakPolarHBondContact O-CB 3.35Å; A103-A107 PolarHBondContact O-N 2.76Å |
| 104 | A | 67.4 | Low | 61.2 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A100 A107 A108 | A100-A104 VanDerWaalsContact O-CB 3.32Å; A100-A104 WeakPolarHBondContact O-CB 3.46Å; A100-A104 PolarHBondContact O-N 2.94Å; A104-A107 PolarHBondContact O-N 2.94Å; A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 2.85Å |
| 105 | A | 68.4 | Low | 61.9 | Low | 61 Ų | 61 | 79.5 Ų | 79.5 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A101 V102 A108 A109 | A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.22Å; A101-A105 PolarHBondContact O-N 3.03Å; V102-A105 PolarHBondContact O-N 3.22Å; A105-A108 PolarHBondContact O-N 3.19Å; A105-A109 VanDerWaalsContact O-CB 3.3Å; A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.05Å |
| 106 | A | 68.8 | Low | 62.1 | Low | 57 Ų | 57 | 79.4 Ų | 79.4 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V102 A103 A109 A110 | V102-A106 VanDerWaalsContact O-CB 3.25Å; V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å; A103-A106 PolarHBondContact O-N 2.7Å; A106-A109 PolarHBondContact O-N 2.87Å; A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 2.88Å |
| 107 | A | 71.4 | Confident | 62.3 | Low | 62 Ų | 62 | 83.2 Ų | 83.2 | 51% | 0.512 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A103 A104 A110 A111 | A103-A107 WeakPolarHBondContact O-CB 3.35Å; A103-A107 PolarHBondContact O-N 2.76Å; A104-A107 PolarHBondContact O-N 2.94Å; A107-A110 PolarHBondContact O-N 2.86Å; A107-A111 WeakPolarHBondContact O-CB 3.26Å; A107-A111 PolarHBondContact O-N 2.73Å |
| 108 | A | 69.2 | Low | 62.2 | Low | 62 Ų | 62 | 78 Ų | 78 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A104 A105 A112 | A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 2.85Å; A105-A108 PolarHBondContact O-N 3.19Å; A108-A112 VanDerWaalsContact O-CB 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.24Å; A108-A112 PolarHBondContact O-N 3.02Å |
| 109 | A | 67.4 | Low | 61.8 | Low | 53 Ų | 53 | 83 Ų | 83 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.8 | -38.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A105 A106 A112 S113 | A105-A109 VanDerWaalsContact O-CB 3.3Å; A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.05Å; A106-A109 PolarHBondContact O-N 2.87Å; A109-A112 PolarHBondContact O-N 2.81Å; A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.02Å; A109-S113 PolarHBondContact O-OG 3.14Å |
| 110 | A | 65.4 | Low | 61.2 | Low | 54 Ų | 54 | 86.9 Ų | 86.9 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.2 | -46.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A106 A107 A112 S113 S114 | A106-A110 WeakPolarHBondContact O-CB 3.5Å; A106-A110 PolarHBondContact O-N 2.88Å; A107-A110 PolarHBondContact O-N 2.86Å; A110-A112 PolarHBondContact O-N 2.86Å; A110-S113 PolarHBondContact O-N 2.88Å; A110-S114 PolarHBondContact O-N 2.8Å; A110-S114 PolarHBondContact O-OG 2.92Å |
| 111 | A | 64.3 | Low | 60.5 | Low | 59 Ų | 59 | 91.3 Ų | 91.3 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.6 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A107 S113 S114 S115 | A107-A111 WeakPolarHBondContact O-CB 3.26Å; A107-A111 PolarHBondContact O-N 2.73Å; A111-S113 VanDerWaalsContact C-N 3.29Å; A111-S113 PolarHBondContact O-N 3.5Å; A111-S114 PolarHBondContact O-N 3.49Å; A111-S115 PolarHBondContact O-N 3Å; A111-S115 PolarHBondContact O-OG 3.01Å |
| 112 | A | 61.1 | Low | 60 | Low | 56 Ų | 56 | 93.7 Ų | 93.7 | 46% | 0.463 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.1 | -31 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A108 A109 A110 R116 | A108-A112 VanDerWaalsContact O-CB 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.24Å; A108-A112 PolarHBondContact O-N 3.02Å; A109-A112 PolarHBondContact O-N 2.81Å; A110-A112 PolarHBondContact O-N 2.86Å; A112-R116 WeakPolarHBondContact O-CG 3.28Å |
| 113 | S | 60.6 | Low | 59.5 | Low | 72 Ų | 72 | 95.5 Ų | 95.5 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -75.7 | -41.5 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | A109 A110 A111 S115 R116 | A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.02Å; A109-S113 PolarHBondContact O-OG 3.14Å; A110-S113 PolarHBondContact O-N 2.88Å; A111-S113 VanDerWaalsContact C-N 3.29Å; A111-S113 PolarHBondContact O-N 3.5Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 2.94Å; S113-R116 PolarHBondContact O-N 2.98Å |
| 114 | S | 60.4 | Low | 58.4 | Low | 82 Ų | 82 | 101.2 Ų | 101.2 | 57% | 0.573 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.7 | -35.3 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | A110 A111 R116 | A110-S114 PolarHBondContact O-N 2.8Å; A110-S114 PolarHBondContact O-OG 2.92Å; A111-S114 PolarHBondContact O-N 3.49Å; S114-R116 VanDerWaalsContact C-N 3.27Å; S114-R116 PolarHBondContact O-N 3.37Å |
| 115 | S | 58.9 | Low | 57 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 62% | 0.615 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -9.6 | 175.5 | -60.8 | 0 | 0 | 0 | 0 | 114.7 | A111 S113 | A111-S115 PolarHBondContact O-N 3Å; A111-S115 PolarHBondContact O-OG 3.01Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 2.94Å |
| 116 | R | 56.1 | Low | 55.7 | Low | 215 Ų | 215 | 104.3 Ų | 104.3 | 81% | 0.811 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -5.5 | 178.4 | -71.2 | -86.2 | 179.2 | 148.1 | -1 | 113.6 | A112 S113 S114 | A112-R116 WeakPolarHBondContact O-CG 3.28Å; S113-R116 PolarHBondContact O-N 2.98Å; S114-R116 VanDerWaalsContact C-N 3.27Å; S114-R116 PolarHBondContact O-N 3.37Å |
| 117 | L | 54.3 | Low | 54.2 | Low | 150 Ų | 150 | 106.4 Ų | 106.4 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -101.5 | -9.1 | -178 | -73.9 | 162.2 | 0 | 0 | 0 | 114.3 | ||
| 118 | S | 50.5 | Low | 52.9 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -109.9 | 43.2 | 179.9 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 119 | L | 48.1 | Very low | 51.9 | Low | 156 Ų | 156 | 110 Ų | 110 | 82% | 0.817 | 70% | 0.704 | S | S | * | * | trans | -132.2 | 44.6 | 174.3 | -75.9 | 175.4 | 0 | 0 | 0 | 111.7 | ||||
| 120 | N | 43.1 | Very low | 50.7 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | -158.8 | 92.1 | 169 | -158.2 | -3.5 | 0 | 0 | 0 | 111.9 | ||||
| 121 | L | 43.9 | Very low | 49.6 | Very low | 158 Ų | 158 | 119.8 Ų | 119.8 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 176.6 | 138.5 | 140.8 | -115.1 | 61.1 | 0 | 0 | 0 | 109.9 | ||||
| 122 | P | 50.2 | Low | 48.5 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -87.2 | 152.3 | -177.7 | 35 | -34.8 | 0 | 0 | 0 | 112.9 | E124 | P122-E124 PolarHBondContact O-N 2.78Š| ||
| 123 | P | 53.5 | Low | 47.5 | Very low | 138 Ų | 138 | 127 Ų | 127 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | -84.6 | 107.6 | 168.5 | 32.2 | -30 | 0 | 0 | 0 | 110.8 | ||||
| 124 | E | 43.3 | Very low | 46.4 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -100.8 | 135.6 | 172.9 | -168.3 | -179.5 | 108.8 | 0 | 0 | 111.4 | P122 | P122-E124 PolarHBondContact O-N 2.78Š| ||
| 125 | A | 37.8 | Very low | 45.3 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | 38.6 | 101.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 126 | A | 42.2 | Very low | 44.5 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -172.3 | 99 | 131.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 127 | A | 37.4 | Very low | 43.6 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | 64.7 | 86.5 | 56.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 128 | A | 42.4 | Very low | 42.8 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | 163.7 | 136.5 | 129 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 129 | A | 49.4 | Very low | 42.4 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | 57.6 | 140.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 130 | D | 42.3 | Very low | 41.9 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -154.7 | 160.2 | -15.3 | -169.7 | 17.7 | 0 | 0 | 0 | 108 | ||||
| 131 | Q | 42.4 | Very low | 42 | Very low | 158 Ų | 158 | 129 Ų | 129 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -88.2 | 154.6 | 176.1 | -64.6 | 169.1 | -25.4 | 0 | 0 | 110.7 | ||||
| 132 | Q | 41 | Very low | 42 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | 139.2 | 160.4 | 129.8 | -74.3 | 175.5 | 9.8 | 0 | 0 | 114.5 | |||||
| 133 | A | 39 | Very low | 41.7 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 58.7 | 91.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 134 | A | 39.2 | Very low | 41.9 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | 64.5 | 125.1 | 69.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 135 | R | 37 | Very low | 41.9 | Very low | 226 Ų | 226 | 129.8 Ų | 129.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 80.3 | 129.5 | 155.5 | -48.5 | -179.4 | 82.5 | 152.7 | 6 | 117.5 | ||||
| 136 | L | 41 | Very low | 42.1 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 67 | 116.8 | 160 | -50.5 | 158.6 | 0 | 0 | 0 | 112.9 | ||||
| 137 | G | 37.9 | Very low | 42.1 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | 118.1 | 177.5 | 40.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 138 | F | 36.7 | Very low | 42.3 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | 83.9 | 95 | 165 | -145.7 | -97.7 | 0 | 0 | 0 | 119.5 | ||||
| 139 | L | 43 | Very low | 42.3 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 47 | 141.2 | 130.9 | -47 | -173.4 | 0 | 0 | 0 | 122.4 | ||||
| 140 | G | 36.8 | Very low | 42.1 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | 140.6 | 71.6 | 125.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 141 | A | 44.9 | Very low | 41.8 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 39 | 128.8 | 138.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 142 | H | 43.8 | Very low | 41.3 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | -168.9 | 93.5 | 111.6 | 50.2 | -86.7 | 0 | 0 | 0 | 115.6 | |||||
| 143 | H | 45.1 | Very low | 41.1 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | 52.5 | 159 | 123 | -100.1 | -119.9 | 0 | 0 | 0 | 123.9 | |||||
| 144 | P | 57.7 | Low | 40.9 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | -145.4 | -140.9 | -112.5 | 41.4 | -15.7 | 0 | 0 | 0 | 115.1 | |||||
| 145 | V | 43 | Very low | 41.4 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | 89.9 | 130.7 | 171.2 | 174.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 146 | A | 41.6 | Very low | 41.6 | Very low | 76 Ų | 76 | 121.9 Ų | 121.9 | 63% | 0.628 | 79% | 0.793 | S | S | * | * | cis | -145.3 | 157 | 13.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 147 | S | 41.9 | Very low | 41.4 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 46.2 | 139.7 | 136.2 | -54.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 148 | S | 43.1 | Very low | 41.7 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | cis | -146.7 | 160.9 | 17.9 | -72.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 149 | T | 40.7 | Very low | 42 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -61 | 161.5 | 165.6 | 40.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 150 | I | 45.5 | Very low | 42 | Very low | 162 Ų | 162 | 122.7 Ų | 122.7 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | -168.6 | 148 | 62.7 | -77 | 173.6 | 0 | 0 | 0 | 106.2 | |||||
| 151 | D | 37.4 | Very low | 42.1 | Very low | 159 Ų | 159 | 127 Ų | 127 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | cis | -171.8 | 171.3 | -18.1 | -179.6 | -142 | 0 | 0 | 0 | 108 | ||||
| 152 | G | 31.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 154.1 | 116.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 153 | G | 35.8 | Very low | 42 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 166.4 | 142.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 154 | G | 36.1 | Very low | 41.5 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | 145.5 | 102 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 155 | P | 49 | Very low | 40.8 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -115.1 | 145.3 | 166.8 | 37.4 | -27.4 | 0 | 0 | 0 | 114 | ||||
| 156 | A | 41 | Very low | 40.6 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -168.3 | 121.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 157 | A | 36.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | 86.7 | 108 | 61.8 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 158 | A | 43.8 | Very low | 40.2 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -167.7 | 126.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 159 | D | 43 | Very low | 40.2 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | -71.8 | 164.6 | 174.7 | -66.2 | -99.2 | 0 | 0 | 0 | 114.4 | ||||
| 160 | Y | 42.8 | Very low | 40 | Very low | 243 Ų | 243 | 127.6 Ų | 127.6 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | -161.7 | 163.7 | 120.5 | -111.9 | -78.7 | 0 | 0 | 0 | 111.7 | |||||
| 161 | H | 40.7 | Very low | 39.7 | Very low | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | trans | -120.1 | -176.4 | -147.3 | -172.7 | -97.5 | 0 | 0 | 0 | 114.1 | ||||
| 162 | H | 39.3 | Very low | 40.3 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | 93.9 | 138.4 | 155.8 | -150 | 88.8 | 0 | 0 | 0 | 117.7 | ||||
| 163 | Q | 45.4 | Very low | 40.7 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | cis | -164.3 | 165.4 | -22 | -179 | 158.6 | -55.2 | 0 | 0 | 110.1 | ||||
| 164 | Q | 36 | Very low | 41.1 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -119.6 | 141.3 | -171.1 | 179.4 | -172 | 23.3 | 0 | 0 | 113.3 | ||||
| 165 | A | 41.8 | Very low | 41.4 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 88% | 0.884 | 83% | 0.827 | S | S | * | * | trans | 157.2 | 153.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 166 | G | 39.6 | Very low | 41.2 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | cis | 169.8 | 167.3 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 167 | A | 39.3 | Very low | 41.3 | Very low | 104 Ų | 104 | 139 Ų | 139 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 65.8 | 123.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 168 | A | 35.3 | Very low | 41.5 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | cis | 88.5 | 100 | 42.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 169 | A | 42.4 | Very low | 41.7 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 88% | 0.884 | 83% | 0.828 | S | S | * | * | trans | -154.4 | 136.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 170 | V | 37.9 | Very low | 41.7 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | trans | -97.9 | 142.9 | -178 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 171 | G | 39.6 | Very low | 41.8 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | -175.4 | 76.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 172 | M | 48.9 | Very low | 42 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 94% | 0.941 | 82% | 0.824 | S | S | * | * | trans | 70.5 | 142.5 | 141.7 | -54 | -50.8 | -166.4 | 0 | 0 | 122.9 | ||||
| 173 | I | 41.1 | Very low | 42 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | -93.2 | 142.7 | -175.2 | -65 | 150.8 | 0 | 0 | 0 | 110.8 | ||||
| 174 | A | 42.5 | Very low | 42.1 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -151.5 | 120.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 175 | L | 44.2 | Very low | 42.2 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | trans | -110.4 | -174.2 | 166.9 | -67 | 166.3 | 0 | 0 | 0 | 108.6 | ||||
| 176 | P | 43.8 | Very low | 42.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | -121.4 | 165.7 | -81.9 | 36.8 | -21.6 | 0 | 0 | 0 | 111.8 | |||||
| 177 | R | 44.2 | Very low | 42.3 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | -137.9 | 121.7 | 167.5 | -97.5 | -74.9 | 153.5 | 89.3 | -5.7 | 112.3 | ||||
| 178 | L | 40.1 | Very low | 42.9 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -58.8 | 144.7 | 171.8 | -63.3 | 113.2 | 0 | 0 | 0 | 111.6 | ||||
| 179 | H | 46.9 | Very low | 43.7 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -154.4 | 145 | 139.4 | -96.7 | 83 | 0 | 0 | 0 | 108.6 | ||||
| 180 | A | 44.4 | Very low | 43.5 | Very low | 91 Ų | 91 | 143.3 Ų | 143.3 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -134.2 | -179.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 181 | P | 44.8 | Very low | 43.7 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | cis | -118.7 | 169.1 | -22.9 | 36.8 | -23.2 | 0 | 0 | 0 | 111.9 | ||||
| 182 | G | 44.3 | Very low | 43.6 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -164.2 | 117.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 183 | V | 40.4 | Very low | 43.3 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -80.3 | 131.9 | 178 | 175 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 184 | V | 45.9 | Very low | 43.6 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | 168.1 | 130.5 | 135.7 | 154.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 185 | G | 38.7 | Very low | 43.5 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 132.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 186 | Q | 41.9 | Very low | 43.2 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -104.8 | 126 | 162.7 | -75.6 | -176.9 | -31.2 | 0 | 0 | 109.9 | ||||
| 187 | Y | 41.1 | Very low | 43.1 | Very low | 225 Ų | 225 | 143.2 Ų | 143.2 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 117.6 | 174.3 | -176.8 | -91.2 | 0 | 0 | 0 | 108.7 | ||||
| 188 | V | 53.1 | Low | 42.9 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -106 | 122.7 | 178.3 | -172 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 189 | P | 50.7 | Low | 42.9 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -69.8 | 137 | 179.6 | 28.8 | -33.9 | 0 | 0 | 0 | 111 | G191 | P189-G191 PolarHBondContact O-N 2.91Š| ||
| 190 | F | 38.6 | Very low | 42.5 | Very low | 183 Ų | 183 | 130.7 Ų | 130.7 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | -80.3 | 104.3 | -179 | -141.8 | -101.6 | 0 | 0 | 0 | 109.7 | W193 | F190-W193 AromaticContact CD1-NE1 3.92Å; F190-W193 AromaticContact CE1-CD1 3.73Å; F190-W193 AromaticContact CE1-NE1 3.1Å; F190-W193 HydrophobicContact CZ-CZ2 4.22Å; F190-W193 AromaticContact CZ-NE1 3.36Å | ||
| 191 | G | 42.2 | Very low | 42.3 | Very low | 57 Ų | 57 | 133.5 Ų | 133.5 | 59% | 0.588 | 80% | 0.801 | S | S | * | * | trans | -145.2 | 157.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P189 | P189-G191 PolarHBondContact O-N 2.91Š| ||
| 192 | E | 37.7 | Very low | 42.1 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 61 | 86.8 | -179 | -120.7 | 68.2 | -165.8 | 0 | 0 | 116.9 | ||||
| 193 | W | 42.2 | Very low | 41.8 | Very low | 211 Ų | 211 | 136.1 Ų | 136.1 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -108.3 | 97.7 | 156.4 | -81 | 84.4 | 0 | 0 | 0 | 109.9 | F190 | F190-W193 AromaticContact CD1-NE1 3.92Å; F190-W193 AromaticContact CE1-CD1 3.73Å; F190-W193 AromaticContact CE1-NE1 3.1Å; F190-W193 HydrophobicContact CZ-CZ2 4.22Å; F190-W193 AromaticContact CZ-NE1 3.36Å | ||
| 194 | H | 47 | Very low | 41.5 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | -71 | 129.5 | 170.1 | -87 | -93.2 | 0 | 0 | 0 | 111.1 | ||||
| 195 | P | 41.8 | Very low | 40.9 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -89.4 | 129.2 | 170.4 | 33.5 | -30.4 | 0 | 0 | 0 | 111.4 | ||||
| 196 | G | 38 | Very low | 40.9 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 108.5 | 112.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 197 | T | 40.5 | Very low | 40.5 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 96% | 0.957 | 80% | 0.795 | S | S | * | * | -176.7 | 96.1 | 129 | 20.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 198 | A | 40.7 | Very low | 40.8 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -116.6 | 104.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 199 | G | 41 | Very low | 40.3 | Very low | 70 Ų | 70 | 121.8 Ų | 121.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -88.5 | 124.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 200 | D | 37 | Very low | 40 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 35.3 | 102.9 | 145.5 | -56.7 | -50.3 | 0 | 0 | 0 | 120.2 | ||||
| 201 | V | 41.8 | Very low | 40.5 | Very low | 150 Ų | 150 | 117.8 Ų | 117.8 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -129.9 | 123.7 | 136.4 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 202 | V | 39.4 | Very low | 41.1 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -79.6 | 134.7 | -179.7 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 203 | T | 37.8 | Very low | 41.8 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -164.8 | 130.2 | 136.5 | -73.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 204 | G | 35.3 | Very low | 42.4 | Very low | 78 Ų | 78 | 110.5 Ų | 110.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -86.6 | 159.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 205 | G | 33.3 | Very low | 42.5 | Very low | 77 Ų | 77 | 108.1 Ų | 108.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 167.4 | 114.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 206 | A | 38.4 | Very low | 42.8 | Very low | 87 Ų | 87 | 104.1 Ų | 104.1 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | trans | 53.1 | 105.5 | 168 | 0 | 0 | 0 | 0 | 0 | 118.1 | V208 | A206-V208 PolarHBondContact O-N 3.28Š| ||
| 207 | A | 33.3 | Very low | 43.5 | Very low | 114 Ų | 114 | 104.4 Ų | 104.4 | 94% | 0.942 | 74% | 0.736 | S | S | * | * | trans | -68.4 | 94.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 208 | V | 47.5 | Very low | 44.7 | Very low | 114 Ų | 114 | 99.6 Ų | 99.6 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | trans | -105.1 | 134.4 | 165.1 | -72.4 | 0 | 0 | 0 | 0 | 109.7 | A206 S210 | A206-V208 PolarHBondContact O-N 3.28Å; V208-S210 PolarHBondContact O-N 3.3Å; V208-S210 PolarHBondContact O-OG 3.48Å | ||
| 209 | S | 42 | Very low | 45.9 | Very low | 114 Ų | 114 | 99.5 Ų | 99.5 | 80% | 0.797 | 69% | 0.692 | S | S | * | * | trans | -61.3 | 99.4 | -167.2 | -50.3 | 0 | 0 | 0 | 0 | 113.5 | S211 | S209-S211 VanDerWaalsContact C-N 3.28Å; S209-S211 PolarHBondContact O-N 3.04Å | ||
| 210 | S | 44.2 | Very low | 47.3 | Very low | 105 Ų | 105 | 101.8 Ų | 101.8 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -76.9 | 66.4 | -178 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | V208 | V208-S210 PolarHBondContact O-N 3.3Å; V208-S210 PolarHBondContact O-OG 3.48Å | ||
| 211 | S | 50.5 | Low | 48.9 | Very low | 99 Ų | 99 | 97 Ų | 97 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | trans | -98.3 | 3.5 | 172.6 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | S209 | S209-S211 VanDerWaalsContact C-N 3.28Å; S209-S211 PolarHBondContact O-N 3.04Å | ||
| 212 | S | 53.2 | Low | 50.2 | Low | 91 Ų | 91 | 94.4 Ų | 94.4 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -93.2 | -18.5 | -171 | -47.3 | 0 | 0 | 0 | 0 | 114.7 | S214 I215 | S212-S214 PolarHBondContact O-N 2.91Å; S212-I215 PolarHBondContact O-N 3.16Å |
| 213 | S | 53.8 | Low | 52.2 | Low | 86 Ų | 86 | 91 Ų | 91 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.7 | -24.2 | -171 | 38.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 214 | S | 53.3 | Low | 54.3 | Low | 98 Ų | 98 | 91.5 Ų | 91.5 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -82.1 | -21.5 | 179 | -153.9 | 0 | 0 | 0 | 0 | 113.3 | S212 S218 | S212-S214 PolarHBondContact O-N 2.91Å; S214-S218 WeakPolarHBondContact O-CB 3.48Å |
| 215 | I | 50.1 | Low | 56.5 | Low | 107 Ų | 107 | 91.9 Ų | 91.9 | 55% | 0.549 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -84.5 | -37.4 | -177.1 | -57 | 176.4 | 0 | 0 | 0 | 111.2 | S212 S218 I219 | S212-I215 PolarHBondContact O-N 3.16Å; I215-S218 PolarHBondContact O-N 2.9Å; I215-I219 HydrophobicContact CG2-CD1 3.91Å; I215-I219 HydrophobicContact CG2-CG1 4.46Å; I215-I219 WeakPolarHBondContact O-CG1 3.32Å; I215-I219 PolarHBondContact O-N 2.63Å |
| 216 | A | 48.7 | Very low | 58.9 | Low | 43 Ų | 43 | 93.2 Ų | 93.2 | 36% | 0.355 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.5 | -59.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S218 I219 E220 | A216-S218 PolarHBondContact O-N 3.1Å; A216-I219 WeakPolarHBondContact O-CA 3.48Å; A216-I219 WeakPolarHBondContact O-CB 3.46Å; A216-I219 PolarHBondContact O-N 2.95Å; A216-E220 PolarHBondContact O-N 2.86Å; A216-E220 VanDerWaalsContact O-OE2 3.05Å |
| 217 | S | 51.6 | Low | 61.3 | Low | 75 Ų | 75 | 95 Ų | 95 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.1 | -24.1 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 113.8 | E220 S221 | S217-E220 WeakPolarHBondContact CA-OE2 3.39Å; S217-E220 PolarHBondContact N-OE2 3.01Å; S217-S221 WeakPolarHBondContact O-CB 3.34Å; S217-S221 PolarHBondContact O-N 2.78Å; S217-S221 VanDerWaalsContact O-N 3.16Å; S217-S221 PolarHBondContact O-OG 3.01Å |
| 218 | S | 66 | Low | 64 | Low | 56 Ų | 56 | 92 Ų | 92 | 39% | 0.392 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76.6 | -33 | 172.6 | -160.5 | 0 | 0 | 0 | 0 | 112.7 | S214 I215 A216 S221 L222 | S214-S218 WeakPolarHBondContact O-CB 3.48Å; I215-S218 PolarHBondContact O-N 2.9Å; A216-S218 PolarHBondContact O-N 3.1Å; S218-S221 WeakPolarHBondContact CA-OG 3.41Å; S218-S221 PolarHBondContact O-OG 3.34Å; S218-L222 VanDerWaalsContact O-CB 3.28Å; S218-L222 WeakPolarHBondContact O-CB 3.3Å; S218-L222 WeakPolarHBondContact O-CD1 3.25Å; S218-L222 WeakPolarHBondContact O-CG 3.37Å; S218-L222 PolarHBondContact O-N 2.85Å |
| 219 | I | 66.7 | Low | 66.1 | Low | 107 Ų | 107 | 91.4 Ų | 91.4 | 55% | 0.549 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.2 | -43 | 174.4 | -70.8 | 166.7 | 0 | 0 | 0 | 111 | I215 A216 S223 | I215-I219 HydrophobicContact CG2-CD1 3.91Å; I215-I219 HydrophobicContact CG2-CG1 4.46Å; I215-I219 WeakPolarHBondContact O-CG1 3.32Å; I215-I219 PolarHBondContact O-N 2.63Å; A216-I219 WeakPolarHBondContact O-CA 3.48Å; A216-I219 WeakPolarHBondContact O-CB 3.46Å; A216-I219 PolarHBondContact O-N 2.95Å; I219-S223 VanDerWaalsContact O-CB 3.3Å; I219-S223 WeakPolarHBondContact O-CB 3.49Å; I219-S223 PolarHBondContact O-N 3.45Å |
| 220 | E | 68.6 | Low | 68.5 | Low | 117 Ų | 117 | 91.5 Ų | 91.5 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.9 | -71.7 | 102.8 | -138.4 | 0 | 0 | 112.4 | A216 S217 S223 F224 | A216-E220 PolarHBondContact O-N 2.86Å; A216-E220 VanDerWaalsContact O-OE2 3.05Å; S217-E220 WeakPolarHBondContact CA-OE2 3.39Å; S217-E220 PolarHBondContact N-OE2 3.01Å; E220-S223 WeakPolarHBondContact O-CB 3.26Å; E220-S223 PolarHBondContact O-N 2.84Å; E220-F224 PolarHBondContact O-N 2.75Å |
| 221 | S | 70.8 | Confident | 70.5 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 38% | 0.378 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 178.2 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | S217 S218 S223 F224 I225 | S217-S221 WeakPolarHBondContact O-CB 3.34Å; S217-S221 PolarHBondContact O-N 2.78Å; S217-S221 VanDerWaalsContact O-N 3.16Å; S217-S221 PolarHBondContact O-OG 3.01Å; S218-S221 WeakPolarHBondContact CA-OG 3.41Å; S218-S221 PolarHBondContact O-OG 3.34Å; S221-S223 VanDerWaalsContact C-N 3.32Å; S221-S223 PolarHBondContact O-N 3.26Å; S221-F224 PolarHBondContact O-N 2.86Å; S221-I225 WeakPolarHBondContact O-CB 3.42Å; S221-I225 WeakPolarHBondContact O-CD1 3.3Å; S221-I225 VanDerWaalsContact O-CG1 3.25Å; S221-I225 WeakPolarHBondContact O-CG1 3.39Å; S221-I225 PolarHBondContact O-N 2.85Å |
| 222 | L | 69 | Low | 72.4 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 172.7 | -71.2 | 172 | 0 | 0 | 0 | 112.3 | S218 N226 | S218-L222 VanDerWaalsContact O-CB 3.28Å; S218-L222 WeakPolarHBondContact O-CB 3.3Å; S218-L222 WeakPolarHBondContact O-CD1 3.25Å; S218-L222 WeakPolarHBondContact O-CG 3.37Å; S218-L222 PolarHBondContact O-N 2.85Å; L222-N226 WeakPolarHBondContact O-CB 3.41Å; L222-N226 PolarHBondContact O-N 2.81Å; L222-N226 PolarHBondContact O-ND2 3.11Å |
| 223 | S | 82 | Confident | 74.3 | Confident | 55 Ų | 55 | 93.3 Ų | 93.3 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 171.3 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | I219 E220 S221 N226 Q227 | I219-S223 VanDerWaalsContact O-CB 3.3Å; I219-S223 WeakPolarHBondContact O-CB 3.49Å; I219-S223 PolarHBondContact O-N 3.45Å; E220-S223 WeakPolarHBondContact O-CB 3.26Å; E220-S223 PolarHBondContact O-N 2.84Å; S221-S223 VanDerWaalsContact C-N 3.32Å; S221-S223 PolarHBondContact O-N 3.26Å; S223-N226 PolarHBondContact O-N 3Å; S223-Q227 WeakPolarHBondContact O-CG 3.39Å; S223-Q227 PolarHBondContact O-N 3.47Å; S223-Q227 PolarHBondContact OG-NE2 3Å |
| 224 | F | 82.1 | Confident | 76.1 | Confident | 151 Ų | 151 | 93 Ų | 93 | 66% | 0.662 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 179.2 | -169.4 | -94.5 | 0 | 0 | 0 | 112.2 | E220 S221 N226 Q227 D228 | E220-F224 PolarHBondContact O-N 2.75Å; S221-F224 PolarHBondContact O-N 2.86Å; F224-N226 PolarHBondContact O-N 2.91Å; F224-Q227 PolarHBondContact O-N 3.42Å; F224-D228 WeakPolarHBondContact O-CB 3.32Å; F224-D228 PolarHBondContact O-N 3.18Å |
| 225 | I | 80.9 | Confident | 77.8 | Confident | 85 Ų | 85 | 93 Ų | 93 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.3 | -67.9 | 162.6 | 0 | 0 | 0 | 111.4 | S221 D228 L229 | S221-I225 WeakPolarHBondContact O-CB 3.42Å; S221-I225 WeakPolarHBondContact O-CD1 3.3Å; S221-I225 VanDerWaalsContact O-CG1 3.25Å; S221-I225 WeakPolarHBondContact O-CG1 3.39Å; S221-I225 PolarHBondContact O-N 2.85Å; I225-D228 PolarHBondContact O-N 3.47Å; I225-L229 HydrophobicContact CG2-CD1 3.91Å; I225-L229 HydrophobicContact CG2-CG 4.42Å; I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 VanDerWaalsContact O-CG 3.32Å; I225-L229 WeakPolarHBondContact O-CG 3.4Å; I225-L229 PolarHBondContact O-N 3.48Å |
| 226 | N | 85.1 | Confident | 79.7 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.8 | -36.8 | 176.6 | -82.2 | -68.5 | 0 | 0 | 0 | 112.3 | L222 S223 F224 H230 | L222-N226 WeakPolarHBondContact O-CB 3.41Å; L222-N226 PolarHBondContact O-N 2.81Å; L222-N226 PolarHBondContact O-ND2 3.11Å; S223-N226 PolarHBondContact O-N 3Å; F224-N226 PolarHBondContact O-N 2.91Å; N226-H230 VanDerWaalsContact O-CB 3.26Å; N226-H230 WeakPolarHBondContact O-CB 3.38Å; N226-H230 PolarHBondContact O-N 3.27Å |
| 227 | Q | 87.6 | Confident | 81.5 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -43.1 | 175.2 | -72.8 | 179.5 | 67.9 | 0 | 0 | 112 | S223 F224 H230 W231 | S223-Q227 WeakPolarHBondContact O-CG 3.39Å; S223-Q227 PolarHBondContact O-N 3.47Å; S223-Q227 PolarHBondContact OG-NE2 3Å; F224-Q227 PolarHBondContact O-N 3.42Å; Q227-H230 PolarHBondContact O-N 3.1Å; Q227-W231 WeakPolarHBondContact O-CB 3.36Å; Q227-W231 PolarHBondContact O-N 3.04Å |
| 228 | D | 91.1 | Very high | 83.4 | Confident | 53 Ų | 53 | 100 Ų | 100 | 28% | 0.283 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.1 | 175.6 | 62.2 | 0 | 0 | 0 | 112.2 | F224 I225 H230 W231 K232 | F224-D228 WeakPolarHBondContact O-CB 3.32Å; F224-D228 PolarHBondContact O-N 3.18Å; I225-D228 PolarHBondContact O-N 3.47Å; D228-H230 VanDerWaalsContact C-N 3.34Å; D228-H230 PolarHBondContact O-N 3.22Å; D228-W231 PolarHBondContact O-N 3.24Å; D228-K232 VanDerWaalsContact CG-NZ 3.31Å; D228-K232 WeakPolarHBondContact O-CB 3.26Å; D228-K232 WeakPolarHBondContact O-CG 3.34Å; D228-K232 PolarHBondContact O-N 3.34Å; D228-K232 WeakPolarHBondContact OD1-CE 3.32Å; D228-K232 IonicContact OD1-NZ 3.16Å; D228-K232 PolarHBondContact OD1-NZ 2.95Å; D228-K232 VanDerWaalsContact OD1-NZ 3.16Å; D228-K232 WeakPolarHBondContact OD2-CE 3.34Å; D228-K232 IonicContact OD2-NZ 2.67Å; D228-K232 PolarHBondContact OD2-NZ 3.09Å |
| 229 | L | 90.1 | Very high | 84.2 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 172.9 | -76.3 | 170.6 | 0 | 0 | 0 | 112.2 | I225 L233 | I225-L229 HydrophobicContact CG2-CD1 3.91Å; I225-L229 HydrophobicContact CG2-CG 4.42Å; I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 VanDerWaalsContact O-CG 3.32Å; I225-L229 WeakPolarHBondContact O-CG 3.4Å; I225-L229 PolarHBondContact O-N 3.48Å; L229-L233 WeakPolarHBondContact O-CB 3.09Å; L229-L233 PolarHBondContact O-N 3Å |
| 230 | H | 92.6 | Very high | 84.9 | Confident | 115 Ų | 115 | 98 Ų | 98 | 53% | 0.532 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 176.4 | -174.2 | -90.5 | 0 | 0 | 0 | 111.5 | N226 Q227 D228 L233 Q234 | N226-H230 VanDerWaalsContact O-CB 3.26Å; N226-H230 WeakPolarHBondContact O-CB 3.38Å; N226-H230 PolarHBondContact O-N 3.27Å; Q227-H230 PolarHBondContact O-N 3.1Å; D228-H230 VanDerWaalsContact C-N 3.34Å; D228-H230 PolarHBondContact O-N 3.22Å; H230-L233 PolarHBondContact O-N 2.8Å; H230-Q234 VanDerWaalsContact CE1-CD 3.4Å; H230-Q234 PolarHBondContact CE1-NE2 2.77Å; H230-Q234 PolarHBondContact ND1-OE1 2.94Å; H230-Q234 WeakPolarHBondContact O-CG 3.43Å; H230-Q234 PolarHBondContact O-N 2.95Å |
| 231 | W | 86.2 | Confident | 85.2 | Confident | 150 Ų | 150 | 99.6 Ų | 99.6 | 57% | 0.568 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 176.3 | -179.9 | -108.5 | 0 | 0 | 0 | 112 | Q227 D228 L233 Q234 Q235 | Q227-W231 WeakPolarHBondContact O-CB 3.36Å; Q227-W231 PolarHBondContact O-N 3.04Å; D228-W231 PolarHBondContact O-N 3.24Å; W231-L233 PolarHBondContact O-N 3.22Å; W231-Q234 WeakPolarHBondContact O-CB 3.35Å; W231-Q234 PolarHBondContact O-N 3.4Å; W231-Q234 VanDerWaalsContact O-N 3.15Å; W231-Q235 VanDerWaalsContact NE1-NE2 3.12Å; W231-Q235 WeakPolarHBondContact O-CG 3.41Å; W231-Q235 PolarHBondContact O-N 2.86Å |
| 232 | K | 91.7 | Very high | 85.3 | Confident | 105 Ų | 105 | 105.7 Ų | 105.7 | 46% | 0.457 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 175.5 | -76.3 | 170.1 | 176.4 | 163.3 | 0 | 112.4 | D228 Q234 Q235 Q236 | D228-K232 VanDerWaalsContact CG-NZ 3.31Å; D228-K232 WeakPolarHBondContact O-CB 3.26Å; D228-K232 WeakPolarHBondContact O-CG 3.34Å; D228-K232 PolarHBondContact O-N 3.34Å; D228-K232 WeakPolarHBondContact OD1-CE 3.32Å; D228-K232 IonicContact OD1-NZ 3.16Å; D228-K232 PolarHBondContact OD1-NZ 2.95Å; D228-K232 VanDerWaalsContact OD1-NZ 3.16Å; D228-K232 WeakPolarHBondContact OD2-CE 3.34Å; D228-K232 IonicContact OD2-NZ 2.67Å; D228-K232 PolarHBondContact OD2-NZ 3.09Å; K232-Q234 VanDerWaalsContact C-N 3.35Å; K232-Q235 PolarHBondContact O-N 3.16Å; K232-Q236 WeakPolarHBondContact O-CB 3.34Å; K232-Q236 PolarHBondContact O-N 2.94Å |
| 233 | L | 92 | Very high | 85 | Confident | 78 Ų | 78 | 107.4 Ų | 107.4 | 41% | 0.408 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -33.2 | 174.9 | -172.7 | 63.5 | 0 | 0 | 0 | 112.1 | L229 H230 W231 R237 | L229-L233 WeakPolarHBondContact O-CB 3.09Å; L229-L233 PolarHBondContact O-N 3Å; H230-L233 PolarHBondContact O-N 2.8Å; W231-L233 PolarHBondContact O-N 3.22Å; L233-R237 WeakPolarHBondContact O-CB 3.23Å; L233-R237 VanDerWaalsContact O-CG 3.23Å; L233-R237 WeakPolarHBondContact O-CG 3.43Å; L233-R237 PolarHBondContact O-N 3.39Å |
| 234 | Q | 92.6 | Very high | 83.4 | Confident | 80 Ų | 80 | 107.7 Ų | 107.7 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 170.8 | -74.3 | 176.3 | -52 | 0 | 0 | 111.6 | H230 W231 K232 Q236 R237 L238 | H230-Q234 VanDerWaalsContact CE1-CD 3.4Å; H230-Q234 PolarHBondContact CE1-NE2 2.77Å; H230-Q234 PolarHBondContact ND1-OE1 2.94Å; H230-Q234 WeakPolarHBondContact O-CG 3.43Å; H230-Q234 PolarHBondContact O-N 2.95Å; W231-Q234 WeakPolarHBondContact O-CB 3.35Å; W231-Q234 PolarHBondContact O-N 3.4Å; W231-Q234 VanDerWaalsContact O-N 3.15Å; K232-Q234 VanDerWaalsContact C-N 3.35Å; Q234-Q236 PolarHBondContact O-N 3.31Å; Q234-R237 PolarHBondContact O-N 3.46Å; Q234-L238 WeakPolarHBondContact O-CB 3.4Å; Q234-L238 WeakPolarHBondContact O-CG 3.42Å; Q234-L238 PolarHBondContact O-N 2.82Å |
| 235 | Q | 88.7 | Confident | 82.2 | Confident | 99 Ų | 99 | 104.1 Ų | 104.1 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 173.6 | -73.6 | -174 | -26.3 | 0 | 0 | 111.6 | W231 K232 R237 L238 A239 | W231-Q235 VanDerWaalsContact NE1-NE2 3.12Å; W231-Q235 WeakPolarHBondContact O-CG 3.41Å; W231-Q235 PolarHBondContact O-N 2.86Å; K232-Q235 PolarHBondContact O-N 3.16Å; Q235-R237 PolarHBondContact O-N 3.44Å; Q235-L238 PolarHBondContact O-N 2.9Å; Q235-A239 VanDerWaalsContact O-CB 3.27Å; Q235-A239 WeakPolarHBondContact O-CB 3.46Å; Q235-A239 PolarHBondContact O-N 2.67Å |
| 236 | Q | 90.5 | Very high | 81 | Confident | 124 Ų | 124 | 104.8 Ų | 104.8 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 176 | -172.2 | 178.2 | 5.3 | 0 | 0 | 111.7 | K232 Q234 A239 T240 | K232-Q236 WeakPolarHBondContact O-CB 3.34Å; K232-Q236 PolarHBondContact O-N 2.94Å; Q234-Q236 PolarHBondContact O-N 3.31Å; Q236-A239 PolarHBondContact O-N 2.83Å; Q236-T240 WeakPolarHBondContact O-CG2 3.37Å; Q236-T240 PolarHBondContact O-N 3.15Å; Q236-T240 PolarHBondContact O-OG1 3.27Å; Q236-T240 VanDerWaalsContact O-OG1 3.13Å |
| 237 | R | 86.2 | Confident | 79.3 | Confident | 146 Ų | 146 | 104.9 Ų | 104.9 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 175.2 | -76.2 | 170.2 | -179.4 | -172.4 | 2.1 | 112 | L233 Q234 Q235 T240 M241 | L233-R237 WeakPolarHBondContact O-CB 3.23Å; L233-R237 VanDerWaalsContact O-CG 3.23Å; L233-R237 WeakPolarHBondContact O-CG 3.43Å; L233-R237 PolarHBondContact O-N 3.39Å; Q234-R237 PolarHBondContact O-N 3.46Å; Q235-R237 PolarHBondContact O-N 3.44Å; R237-T240 WeakPolarHBondContact CA-OG1 3.47Å; R237-T240 PolarHBondContact O-N 3.35Å; R237-T240 PolarHBondContact O-OG1 2.97Å; R237-M241 WeakPolarHBondContact O-CG 3.43Å; R237-M241 PolarHBondContact O-N 2.83Å |
| 238 | L | 89.9 | Confident | 77.7 | Confident | 100 Ų | 100 | 104.1 Ų | 104.1 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61 | -44.4 | 175.2 | -74 | 164.9 | 0 | 0 | 0 | 111.2 | Q234 Q235 T240 M241 F242 | Q234-L238 WeakPolarHBondContact O-CB 3.4Å; Q234-L238 WeakPolarHBondContact O-CG 3.42Å; Q234-L238 PolarHBondContact O-N 2.82Å; Q235-L238 PolarHBondContact O-N 2.9Å; L238-T240 PolarHBondContact O-N 3.36Å; L238-M241 PolarHBondContact O-N 3.03Å; L238-M241 VanDerWaalsContact O-N 3.12Å; L238-F242 PolarHBondContact O-N 3.49Å |
| 239 | A | 83.9 | Confident | 75.7 | Confident | 46 Ų | 46 | 105 Ų | 105 | 38% | 0.38 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.8 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q235 Q236 M241 F242 L243 | Q235-A239 VanDerWaalsContact O-CB 3.27Å; Q235-A239 WeakPolarHBondContact O-CB 3.46Å; Q235-A239 PolarHBondContact O-N 2.67Å; Q236-A239 PolarHBondContact O-N 2.83Å; A239-M241 VanDerWaalsContact C-N 3.26Å; A239-M241 PolarHBondContact O-N 3.26Å; A239-F242 PolarHBondContact O-N 3.49Å; A239-L243 CarbonylContact O-C 3.43Å; A239-L243 WeakPolarHBondContact O-CA 3.27Å; A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 2.82Å |
| 240 | T | 81.1 | Confident | 73.7 | Confident | 76 Ų | 76 | 102.9 Ų | 102.9 | 47% | 0.466 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -15.9 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 115 | Q236 R237 L238 L243 | Q236-T240 WeakPolarHBondContact O-CG2 3.37Å; Q236-T240 PolarHBondContact O-N 3.15Å; Q236-T240 PolarHBondContact O-OG1 3.27Å; Q236-T240 VanDerWaalsContact O-OG1 3.13Å; R237-T240 WeakPolarHBondContact CA-OG1 3.47Å; R237-T240 PolarHBondContact O-N 3.35Å; R237-T240 PolarHBondContact O-OG1 2.97Å; L238-T240 PolarHBondContact O-N 3.36Å; T240-L243 WeakPolarHBondContact CA-O 3.43Å |
| 241 | M | 75.2 | Confident | 71.5 | Confident | 151 Ų | 151 | 100.4 Ų | 100.4 | 74% | 0.744 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -88.4 | -34.2 | 173.1 | -72.3 | -169.4 | -162 | 0 | 0 | 112.7 | R237 L238 A239 | R237-M241 WeakPolarHBondContact O-CG 3.43Å; R237-M241 PolarHBondContact O-N 2.83Å; L238-M241 PolarHBondContact O-N 3.03Å; L238-M241 VanDerWaalsContact O-N 3.12Å; A239-M241 VanDerWaalsContact C-N 3.26Å; A239-M241 PolarHBondContact O-N 3.26Å |
| 242 | F | 71.8 | Confident | 69.6 | Low | 181 Ų | 181 | 95.9 Ų | 95.9 | 79% | 0.794 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -94.6 | -32.1 | -179.1 | -89.2 | -89.1 | 0 | 0 | 0 | 113.9 | L238 A239 | L238-F242 PolarHBondContact O-N 3.49Å; A239-F242 PolarHBondContact O-N 3.49Å |
| 243 | L | 63.6 | Low | 67.5 | Low | 130 Ų | 130 | 94.2 Ų | 94.2 | 68% | 0.681 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -111.8 | 97.1 | 167.3 | -60.3 | 94.1 | 0 | 0 | 0 | 106.2 | A239 T240 | A239-L243 CarbonylContact O-C 3.43Å; A239-L243 WeakPolarHBondContact O-CA 3.27Å; A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 2.82Å; T240-L243 WeakPolarHBondContact CA-O 3.43Å |
| 244 | G | 48.4 | Very low | 65.4 | Low | 61 Ų | 61 | 94.1 Ų | 94.1 | 63% | 0.629 | 58% | 0.577 | S | S | * | * | trans | -49.8 | 146.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 245 | A | 56.3 | Low | 63.2 | Low | 77 Ų | 77 | 94.3 Ų | 94.3 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | trans | -41.1 | 133.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T247 | A245-T247 PolarHBondContact O-N 2.86Š| ||
| 246 | P | 56.3 | Low | 61.1 | Low | 98 Ų | 98 | 97.2 Ų | 97.2 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | trans | -55.2 | 119.6 | -178.6 | 23.4 | -33.2 | 0 | 0 | 0 | 108.5 | S248 A250 | P246-S248 PolarHBondContact O-N 3.36Å; P246-A250 HydrophobicContact CB-CB 4.28Å | ||
| 247 | T | 50.1 | Low | 58.8 | Low | 107 Ų | 107 | 95.2 Ų | 95.2 | 66% | 0.656 | 61% | 0.61 | S | S | * | * | trans | -55.1 | 143 | 172.5 | 52.8 | 0 | 0 | 0 | 0 | 107.8 | A245 A249 A250 | A245-T247 PolarHBondContact O-N 2.86Å; T247-A249 PolarHBondContact O-N 2.96Å; T247-A250 PolarHBondContact O-N 2.8Å | ||
| 248 | S | 53.8 | Low | 56.6 | Low | 108 Ų | 108 | 95.6 Ų | 95.6 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57 | -14.6 | -168.7 | 41 | 0 | 0 | 0 | 0 | 114.8 | P246 | P246-S248 PolarHBondContact O-N 3.36Å |
| 249 | A | 48.7 | Very low | 54.3 | Low | 73 Ų | 73 | 96.6 Ų | 96.6 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.5 | -38.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T247 A253 | T247-A249 PolarHBondContact O-N 2.96Å; A249-A253 PolarHBondContact O-N 3.32Å |
| 250 | A | 48.7 | Very low | 52 | Low | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -75.6 | -33.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P246 T247 A253 A254 | P246-A250 HydrophobicContact CB-CB 4.28Å; T247-A250 PolarHBondContact O-N 2.8Å; A250-A253 PolarHBondContact O-N 3.38Å; A250-A254 PolarHBondContact O-N 3.47Å |
| 251 | A | 46.4 | Very low | 49.9 | Very low | 63 Ų | 63 | 100.5 Ų | 100.5 | 52% | 0.521 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -68.9 | -33.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A255 | A251-A255 PolarHBondContact O-N 3.12Å |
| 252 | A | 46.7 | Very low | 48.1 | Very low | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -68.3 | -35.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A254 A255 | A252-A254 PolarHBondContact O-N 3.13Å; A252-A255 PolarHBondContact O-N 2.75Å |
| 253 | A | 46.4 | Very low | 46.8 | Very low | 70 Ų | 70 | 98.3 Ų | 98.3 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.8 | -36.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A249 A250 | A249-A253 PolarHBondContact O-N 3.32Å; A250-A253 PolarHBondContact O-N 3.38Å |
| 254 | A | 48.3 | Very low | 45.5 | Very low | 76 Ų | 76 | 95.8 Ų | 95.8 | 63% | 0.628 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71.4 | -29.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A250 A252 H256 | A250-A254 PolarHBondContact O-N 3.47Å; A252-A254 PolarHBondContact O-N 3.13Å; A254-H256 VanDerWaalsContact C-N 3.3Å; A254-H256 PolarHBondContact O-N 3.33Å |
| 255 | A | 45.9 | Very low | 44.8 | Very low | 84 Ų | 84 | 96.5 Ų | 96.5 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -76.9 | -12.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A251 A252 | A251-A255 PolarHBondContact O-N 3.12Å; A252-A255 PolarHBondContact O-N 2.75Å |
| 256 | H | 45.8 | Very low | 44.2 | Very low | 161 Ų | 161 | 97.9 Ų | 97.9 | 75% | 0.745 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 4.4 | 179.2 | -85.5 | -74 | 0 | 0 | 0 | 114.4 | A254 | A254-H256 VanDerWaalsContact C-N 3.3Å; A254-H256 PolarHBondContact O-N 3.33Å |
| 257 | A | 41.6 | Very low | 43.2 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -86.1 | -5.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 258 | D | 40 | Very low | 42.9 | Very low | 154 Ų | 154 | 105 Ų | 105 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120.9 | 47.9 | -173.5 | -154 | -9.1 | 0 | 0 | 0 | 112.3 | ||
| 259 | S | 42 | Very low | 42.3 | Very low | 120 Ų | 120 | 107 Ų | 107 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -164.3 | 48.4 | 177 | -76.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 260 | A | 36.1 | Very low | 41.6 | Very low | 96 Ų | 96 | 110.8 Ų | 110.8 | 79% | 0.793 | 72% | 0.722 | S | S | * | * | trans | -142.7 | 41 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | H262 | A260-H262 PolarHBondContact O-N 3.44Š| ||
| 261 | A | 35.7 | Very low | 41.2 | Very low | 109 Ų | 109 | 112.8 Ų | 112.8 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | trans | -93.9 | 57.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 262 | H | 38.5 | Very low | 40.7 | Very low | 168 Ų | 168 | 116.6 Ų | 116.6 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | trans | -155.4 | 111.7 | 169.9 | -164.9 | -96.4 | 0 | 0 | 0 | 114.2 | A260 | A260-H262 PolarHBondContact O-N 3.44Š| ||
| 263 | V | 42.8 | Very low | 40.4 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | 54.7 | 100.8 | 152.4 | -175.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 264 | G | 36.9 | Very low | 39.9 | Very low | 77 Ų | 77 | 123.2 Ų | 123.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | 78.4 | 109.7 | 106.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 265 | G | 34.7 | Very low | 39.3 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | 99.7 | 101.3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 266 | A | 42 | Very low | 38.9 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | 50.6 | 121.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 267 | F | 37.3 | Very low | 38.4 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 82% | 0.82 | 79% | 0.794 | S | S | * | * | 161.6 | 148.1 | 102.7 | -177 | -116.6 | 0 | 0 | 0 | 110.3 | |||||
| 268 | M | 43.1 | Very low | 38.4 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | trans | -81.8 | 165.3 | -179.8 | -63 | -175.4 | 179.9 | 0 | 0 | 111.4 | ||||
| 269 | Q | 39.9 | Very low | 38.9 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | 157.3 | 113.5 | 114.8 | -172.8 | 164.7 | -33.2 | 0 | 0 | 114.8 | |||||
| 270 | M | 35.8 | Very low | 39.5 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | 65.1 | 141.3 | 138.2 | -144.5 | 96.9 | 80.4 | 0 | 0 | 124.1 | ||||
| 271 | S | 40.2 | Very low | 40.6 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | 69 | 113.7 | 143 | 41.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 272 | V | 35.5 | Very low | 41.6 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | 89.4 | 144.8 | 71.5 | 164.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 273 | A | 39.8 | Very low | 42.2 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 73.5 | 143.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 274 | E | 37 | Very low | 42.3 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | cis | -155.7 | 161.9 | -16.6 | -171.5 | 147.1 | 106.8 | 0 | 0 | 110.5 | ||||
| 275 | S | 34.5 | Very low | 42.4 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -31.2 | 132.3 | 173.3 | -51.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 276 | T | 38.3 | Very low | 42.7 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -142 | 130.7 | 149.4 | -70.9 | 0 | 0 | 0 | 0 | 110.3 | T278 | T276-T278 PolarHBondContact O-N 3.11Š| ||
| 277 | M | 34.7 | Very low | 42.7 | Very low | 189 Ų | 189 | 136 Ų | 136 | 93% | 0.931 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 116 | -177.1 | -65.2 | -82.7 | -174.7 | 0 | 0 | 111.6 | ||||
| 278 | T | 41.8 | Very low | 42.8 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -142.9 | 133 | 160.9 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | T276 | T276-T278 PolarHBondContact O-N 3.11Š| ||
| 279 | M | 49.9 | Very low | 42.6 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142.6 | -170.7 | -64.4 | -78.5 | -126.1 | 0 | 0 | 113.8 | ||
| 280 | P | 56.2 | Low | 42.4 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 145.8 | 172.6 | 32.4 | -34.1 | 0 | 0 | 0 | 112.2 | ||
| 281 | P | 59 | Low | 42.4 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 157.5 | 169 | 31.2 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 282 | P | 54.8 | Low | 42.3 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69 | 148.1 | -172.1 | 28.7 | -35.9 | 0 | 0 | 0 | 112.6 | L284 | P282-L284 PolarHBondContact O-N 3.45Š|
| 283 | P | 52.2 | Low | 42.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 128.3 | -180 | 28.2 | -33.9 | 0 | 0 | 0 | 111.2 | A285 | P283-A285 PolarHBondContact O-N 2.94Å; P283-A285 VanDerWaalsContact O-N 3.08Å |
| 284 | L | 44.2 | Very low | 42.4 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -61.8 | 111.8 | 168.8 | -82.7 | 113.8 | 0 | 0 | 0 | 109.8 | P282 T286 | P282-L284 PolarHBondContact O-N 3.45Å; L284-T286 PolarHBondContact O-N 3.01Å | ||
| 285 | A | 38.6 | Very low | 42.7 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -65.4 | 97.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P283 S287 | P283-A285 PolarHBondContact O-N 2.94Å; P283-A285 VanDerWaalsContact O-N 3.08Å; A285-S287 PolarHBondContact O-N 3.47Å | ||
| 286 | T | 42.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -85.5 | 105.9 | 165.6 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | L284 W288 | L284-T286 PolarHBondContact O-N 3.01Å; T286-W288 PolarHBondContact O-N 3.39Å; T286-W288 VanDerWaalsContact O-N 3.11Å | ||
| 287 | S | 40.4 | Very low | 42.9 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -79.1 | 87.9 | -160.3 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | A285 | A285-S287 PolarHBondContact O-N 3.47Š| ||
| 288 | W | 41.3 | Very low | 43.3 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -147.4 | 61.7 | 172.8 | -57.8 | 99.5 | 0 | 0 | 0 | 114.5 | T286 | T286-W288 PolarHBondContact O-N 3.39Å; T286-W288 VanDerWaalsContact O-N 3.11Å | ||
| 289 | F | 38.7 | Very low | 43.1 | Very low | 207 Ų | 207 | 136.8 Ų | 136.8 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | trans | -148.5 | 136.8 | 156.7 | -128.2 | -88.7 | 0 | 0 | 0 | 112.5 | D291 | F289-D291 PolarHBondContact O-N 3.41Š| ||
| 290 | M | 35.4 | Very low | 43 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -76.9 | 115.5 | 170.7 | -71.7 | 93.4 | 147.2 | 0 | 0 | 109.2 | ||||
| 291 | D | 35.8 | Very low | 42.2 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | trans | -129.2 | 123 | 150.2 | -162.7 | -78.7 | 0 | 0 | 0 | 108.2 | F289 S293 | F289-D291 PolarHBondContact O-N 3.41Å; D291-S293 WeakPolarHBondContact OD1-CB 3.34Å; D291-S293 PolarHBondContact OD1-N 3.46Å; D291-S293 PolarHBondContact OD1-OG 3.36Å | ||
| 292 | S | 37.1 | Very low | 41.6 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -119.2 | 52.4 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 109.3 | C294 | S292-C294 PolarHBondContact O-N 3.47Š| ||
| 293 | S | 42.3 | Very low | 40.8 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -70.5 | 114.9 | 169.1 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | D291 | D291-S293 WeakPolarHBondContact OD1-CB 3.34Å; D291-S293 PolarHBondContact OD1-N 3.46Å; D291-S293 PolarHBondContact OD1-OG 3.36Å | ||
| 294 | C | 36.3 | Very low | 39.9 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 124.9 | 171.2 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | S292 | S292-C294 PolarHBondContact O-N 3.47Š| ||
| 295 | Y | 42.9 | Very low | 39.7 | Very low | 229 Ų | 229 | 137.8 Ų | 137.8 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -163.5 | 106.3 | 148.7 | -87.6 | -60.6 | 0 | 0 | 0 | 113 | ||||
| 296 | A | 38.2 | Very low | 39.5 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 56.4 | 127.4 | 131.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 297 | L | 39.1 | Very low | 39.3 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 80.2 | 157.7 | 142.4 | -65.1 | 163 | 0 | 0 | 0 | 120.9 | ||||
| 298 | P | 42.7 | Very low | 39.3 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -129.1 | 167.3 | -19.9 | 31.4 | -12.1 | 0 | 0 | 0 | 115.3 | ||||
| 299 | S | 37 | Very low | 38.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -78.4 | 153.4 | 177.4 | -47.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 300 | P | 49.2 | Very low | 38.8 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -91.2 | 111.7 | 158.3 | 33.2 | -27.7 | 0 | 0 | 0 | 111.2 | ||||
| 301 | T | 37.9 | Very low | 38.8 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -76.9 | 126.6 | 163.8 | 45.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 302 | M | 46.4 | Very low | 38.9 | Very low | 182 Ų | 182 | 123.9 Ų | 123.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -129.9 | 115.1 | 160.2 | -86.1 | -72.8 | 102.8 | 0 | 0 | 109.6 | ||||
| 303 | T | 39.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -78.6 | 137.7 | -171.9 | -41.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 304 | A | 33.4 | Very low | 38.6 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -75.7 | 132 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 305 | H | 38.1 | Very low | 38.7 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -161.1 | 133.9 | 147.6 | -127.9 | -97.5 | 0 | 0 | 0 | 113.9 | ||||
| 306 | A | 36.3 | Very low | 38.5 | Very low | 74 Ų | 74 | 119 Ų | 119 | 61% | 0.612 | 80% | 0.795 | S | S | * | * | trans | 50.2 | 107.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 307 | S | 37.1 | Very low | 38.8 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | 81.7 | 141.4 | 118.9 | -54.5 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 308 | T | 40.4 | Very low | 38.7 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | 101.6 | 90.3 | 149.3 | -29 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 309 | A | 33.2 | Very low | 38.3 | Very low | 98 Ų | 98 | 118.2 Ų | 118.2 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 29.5 | 118.2 | 136.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 310 | A | 36.9 | Very low | 38.4 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | 177.8 | 121.5 | 129.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 311 | A | 34.6 | Very low | 37.7 | Very low | 93 Ų | 93 | 120.1 Ų | 120.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 47.9 | 126.3 | 95.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 312 | V | 37.7 | Very low | 37.9 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | cis | -145.4 | 161.2 | 46.9 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 313 | A | 37.3 | Very low | 37.4 | Very low | 93 Ų | 93 | 120.1 Ų | 120.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -69.2 | -177 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 314 | A | 35.7 | Very low | 37.3 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | cis | -159.7 | 152.1 | 9.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 315 | A | 38.4 | Very low | 37.4 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | -167.6 | 107.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 316 | T | 38.5 | Very low | 37.3 | Very low | 150 Ų | 150 | 113.3 Ų | 113.3 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -66 | 151.6 | -174.3 | 43.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 317 | G | 44.7 | Very low | 37.5 | Very low | 81 Ų | 81 | 115 Ų | 115 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | 179.9 | 48.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 318 | T | 37 | Very low | 37.6 | Very low | 134 Ų | 134 | 113.2 Ų | 113.2 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -108.7 | 127.8 | -174.1 | 48.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 319 | C | 35.7 | Very low | 37.6 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | trans | 175.6 | 151.7 | 145.1 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 320 | N | 39.3 | Very low | 38.3 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | cis | -154.7 | 157.1 | -32 | -163.5 | 14.1 | 0 | 0 | 0 | 108.3 | ||||
| 321 | V | 33.3 | Very low | 38.8 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 76% | 0.758 | 83% | 0.833 | S | S | * | * | trans | -91.4 | 138.3 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 322 | V | 42.6 | Very low | 39.1 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | trans | -136 | 130.5 | 156.7 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 323 | N | 36.1 | Very low | 39.3 | Very low | 161 Ų | 161 | 119 Ų | 119 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -86.9 | 146 | 179.7 | -136.2 | -9.5 | 0 | 0 | 0 | 109.9 | ||||
| 324 | G | 36.7 | Very low | 39.3 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | trans | -156.7 | 90.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 325 | A | 36.5 | Very low | 39.7 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | trans | -80.8 | 142.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 326 | G | 36.1 | Very low | 40.1 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -169.8 | 110.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 327 | A | 38.9 | Very low | 40.4 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -78.6 | 155.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 328 | G | 39.2 | Very low | 40.5 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 173.7 | 88.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 329 | D | 40.1 | Very low | 41 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -64.6 | 133.3 | 162.5 | -55 | -83.5 | 0 | 0 | 0 | 108.8 | ||||
| 330 | D | 49.1 | Very low | 41.1 | Very low | 168 Ų | 168 | 124.3 Ų | 124.3 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -159.8 | 140.9 | 160.3 | -99.8 | -38.6 | 0 | 0 | 0 | 110.7 | ||||
| 331 | D | 47 | Very low | 41.2 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -81.7 | 165.5 | -165.7 | -85.2 | -69 | 0 | 0 | 0 | 115.7 | ||||
| 332 | S | 41.7 | Very low | 41.2 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 57.4 | 87.5 | 146 | -65.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 333 | A | 42 | Very low | 41.1 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -132.9 | 79.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S335 | A333-S335 PolarHBondContact O-N 3.39Š| ||
| 334 | A | 36.1 | Very low | 41.2 | Very low | 110 Ų | 110 | 116.1 Ų | 116.1 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -70.3 | 73.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N336 | A334-N336 PolarHBondContact O-N 3.49Š| ||
| 335 | S | 45.3 | Very low | 41.5 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -89.4 | 85.8 | 179.3 | -162.5 | 0 | 0 | 0 | 0 | 112.3 | A333 | A333-S335 PolarHBondContact O-N 3.39Š| ||
| 336 | N | 45.7 | Very low | 42 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | trans | 23.4 | 101 | 135.4 | -170.6 | 8.1 | 0 | 0 | 0 | 117.4 | A334 N338 | A334-N336 PolarHBondContact O-N 3.49Å; N336-N338 WeakPolarHBondContact OD1-CB 3.12Å; N336-N338 PolarHBondContact OD1-N 2.6Å | ||
| 337 | N | 46.3 | Very low | 42.5 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -122.5 | 59 | 150.6 | -168.5 | 12 | 0 | 0 | 0 | 109.3 | ||||
| 338 | N | 45.4 | Very low | 43 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | trans | -70.5 | 122.7 | 167.3 | -176.3 | 6.7 | 0 | 0 | 0 | 109 | N336 | N336-N338 WeakPolarHBondContact OD1-CB 3.12Å; N336-N338 PolarHBondContact OD1-N 2.6Å | ||
| 339 | N | 48.1 | Very low | 43.2 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -149.9 | 96.9 | 155.8 | -94.6 | -57.9 | 0 | 0 | 0 | 109.9 | ||||
| 340 | N | 38.6 | Very low | 43.7 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 72.6 | 84.5 | 146.5 | -161.8 | 45.8 | 0 | 0 | 0 | 118.6 | ||||
| 341 | C | 40 | Very low | 44.2 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -136.3 | 128.4 | 134.1 | -89.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 342 | G | 33.9 | Very low | 44.3 | Very low | 59 Ų | 59 | 124 Ų | 124 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -71.5 | 166 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | G344 | G342-G344 PolarHBondContact O-N 2.94Å; G342-G344 VanDerWaalsContact O-N 3.15Å | ||
| 343 | P | 39.4 | Very low | 44.7 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 96% | 0.961 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -76 | 102.9 | -176.5 | 31.2 | -33.3 | 0 | 0 | 0 | 110.6 | ||
| 344 | G | 38.8 | Very low | 45.4 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 166.9 | 40.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117 | G342 | G342-G344 PolarHBondContact O-N 2.94Å; G342-G344 VanDerWaalsContact O-N 3.15Å | ||
| 345 | S | 43.5 | Very low | 46.4 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -171.7 | 102.3 | 160.4 | -84.6 | 0 | 0 | 0 | 0 | 110.1 | I347 | S345-I347 VanDerWaalsContact C-N 3.33Å; S345-I347 PolarHBondContact O-N 3.08Å | ||
| 346 | A | 46.8 | Very low | 46.7 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -74.2 | 87.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q348 | A346-Q348 PolarHBondContact O-N 3.41Š| ||
| 347 | I | 46.2 | Very low | 47.1 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -69.3 | 106.7 | 171.6 | -58.9 | -179.7 | 0 | 0 | 0 | 107.4 | S345 S349 | S345-I347 VanDerWaalsContact C-N 3.33Å; S345-I347 PolarHBondContact O-N 3.08Å; I347-S349 PolarHBondContact O-N 2.83Å | ||
| 348 | Q | 49.6 | Very low | 47.5 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -56.8 | 136.3 | 180 | -74.1 | 152.1 | -46 | 0 | 0 | 110.8 | A346 | A346-Q348 PolarHBondContact O-N 3.41Š| ||
| 349 | S | 43.9 | Very low | 47.8 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -61 | 138.7 | 170.9 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | I347 G351 | I347-S349 PolarHBondContact O-N 2.83Å; S349-G351 PolarHBondContact O-N 2.87Å | ||
| 350 | W | 51.1 | Low | 48.5 | Very low | 245 Ų | 245 | 132.2 Ų | 132.2 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 40 | -176.7 | -69.6 | 24.5 | 0 | 0 | 0 | 113.3 | ||
| 351 | G | 59.7 | Low | 49 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -12.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S349 | S349-G351 PolarHBondContact O-N 2.87Š|
| 352 | D | 48.8 | Very low | 49.5 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -123.5 | 33 | -163.1 | -150.5 | 2.2 | 0 | 0 | 0 | 113.7 | S354 | D352-S354 VanDerWaalsContact C-N 3.31Å; D352-S354 PolarHBondContact O-N 3.34Å | ||
| 353 | M | 49.9 | Very low | 50.3 | Low | 146 Ų | 146 | 135.9 Ų | 135.9 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | -92.2 | 52.8 | -176.1 | -148.1 | 81.4 | 80.7 | 0 | 0 | 112.4 | A355 F356 | M353-A355 VanDerWaalsContact C-N 3.26Å; M353-A355 PolarHBondContact O-N 3.44Å; M353-F356 HydrophobicContact CG-CD2 4.46Å | ||
| 354 | S | 56.3 | Low | 51 | Low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -84.3 | 6.5 | 179.9 | -56.3 | 0 | 0 | 0 | 0 | 114 | D352 | D352-S354 VanDerWaalsContact C-N 3.31Å; D352-S354 PolarHBondContact O-N 3.34Å | ||
| 355 | A | 57.4 | Low | 51.7 | Low | 84 Ų | 84 | 139.4 Ų | 139.4 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | trans | -99.7 | 11 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | M353 | M353-A355 VanDerWaalsContact C-N 3.26Å; M353-A355 PolarHBondContact O-N 3.44Å | ||
| 356 | F | 50.8 | Low | 52.3 | Low | 181 Ų | 181 | 141.5 Ų | 141.5 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -110.7 | 49.3 | 177.4 | -79.6 | -78.8 | 0 | 0 | 0 | 112.9 | M353 | M353-F356 HydrophobicContact CG-CD2 4.46Š| ||
| 357 | A | 54.8 | Low | 52.7 | Low | 85 Ų | 85 | 144.4 Ų | 144.4 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 137.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 358 | M | 55.7 | Low | 53.2 | Low | 189 Ų | 189 | 143.8 Ų | 143.8 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | trans | 79 | 73.9 | -169.9 | -54.9 | -167.7 | 151.3 | 0 | 0 | 116.4 | ||||
| 359 | L | 50.4 | Low | 53.5 | Low | 152 Ų | 152 | 141.6 Ų | 141.6 | 80% | 0.796 | 82% | 0.815 | S | S | * | * | trans | -118.6 | 151.8 | 130.5 | -80.4 | 171.1 | 0 | 0 | 0 | 107.1 | ||||
| 360 | P | 62.8 | Low | 54.3 | Low | 199 Ų | 199 | 145.2 Ų | 145.2 | 100% | 1.292 | 82% | 0.824 | S | S | * | * | trans | -66 | 0 | -163.2 | 26.6 | -36.4 | 0 | 0 | 0 | 115.1 |
Retrieved 360 of 360 residues in 185 ms
(Link to these results)