| 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 | 42.5 | Very low | 44.1 | Very low | 246 Ų | 246 | 172.8 Ų | 172.8 | 100% | 1.212 | 90% | 0.903 | S | S | * | * | 0 | 102.3 | 0 | -70.7 | 176.2 | 172 | 0 | 0 | 109.7 | |||||
| 2 | P | 39.6 | Very low | 44.6 | Very low | 129 Ų | 129 | 170.7 Ų | 170.7 | 84% | 0.838 | 90% | 0.902 | S | S | * | * | trans | -103.8 | 152 | -177.3 | 32.9 | -21.9 | 0 | 0 | 0 | 113.2 | G4 | P2-G4 PolarHBondContact O-N 3.3Š| ||
| 3 | K | 38 | Very low | 45.6 | Very low | 224 Ų | 224 | 164.3 Ų | 164.3 | 97% | 0.974 | 89% | 0.889 | S | S | * | * | trans | -71.6 | 120.1 | 179.4 | -73.1 | 178.8 | 177.5 | 173.5 | 0 | 111.6 | ||||
| 4 | G | 42.2 | Very low | 46.5 | Very low | 67 Ų | 67 | 161.4 Ų | 161.4 | 69% | 0.691 | 88% | 0.883 | S | S | * | * | trans | -124.4 | 147.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112 | P2 | P2-G4 PolarHBondContact O-N 3.3Š| ||
| 5 | K | 46.7 | Very low | 47.2 | Very low | 211 Ų | 211 | 157 Ų | 157 | 92% | 0.917 | 88% | 0.876 | S | S | * | * | trans | 74.7 | 116.6 | 176.2 | -57.5 | 177.7 | 176.8 | 176 | 0 | 118 | ||||
| 6 | K | 40.7 | Very low | 47.3 | Very low | 218 Ų | 218 | 154.7 Ų | 154.7 | 95% | 0.948 | 87% | 0.87 | S | S | * | * | -137.2 | 146 | 116.6 | -80.6 | -162.3 | 175 | -179.1 | 0 | 108.9 | |||||
| 7 | A | 46.1 | Very low | 47.6 | Very low | 95 Ų | 95 | 151.5 Ų | 151.5 | 79% | 0.785 | 86% | 0.86 | S | S | * | * | trans | -111.5 | 160.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 8 | K | 48.1 | Very low | 48.2 | Very low | 217 Ų | 217 | 151.3 Ų | 151.3 | 94% | 0.943 | 86% | 0.862 | S | S | * | * | trans | -5.1 | 141.6 | 159.6 | -57.6 | 171.7 | 177.4 | 177.4 | 0 | 116.5 | ||||
| 9 | G | 43 | Very low | 48.7 | Very low | 80 Ų | 80 | 147.7 Ų | 147.7 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | cis | -155 | -146.7 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 10 | K | 45.9 | Very low | 49.4 | Very low | 210 Ų | 210 | 150.4 Ų | 150.4 | 91% | 0.913 | 85% | 0.854 | S | S | * | * | cis | -152.5 | 147.8 | -4.5 | -176.9 | -175.8 | -178.8 | -175.8 | 0 | 106.5 | ||||
| 11 | K | 52.1 | Low | 49.9 | Very low | 204 Ų | 204 | 152.8 Ų | 152.8 | 89% | 0.887 | 86% | 0.855 | S | S | * | * | trans | -76.7 | 140.7 | -175.2 | -70.1 | -179.5 | 177.3 | 178.9 | 0 | 113.3 | ||||
| 12 | V | 50.4 | Low | 50.6 | Low | 147 Ų | 147 | 148.4 Ų | 148.4 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -121.8 | 136 | 154.9 | -178.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 13 | A | 57 | Low | 51.9 | Low | 88 Ų | 88 | 150.2 Ų | 150.2 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 145.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 14 | P | 58.7 | Low | 53 | Low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 148.7 | 168.2 | 30.2 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 15 | A | 56.9 | Low | 54.1 | Low | 95 Ų | 95 | 150.5 Ų | 150.5 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 145.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 16 | P | 49.6 | Very low | 55.3 | Low | 120 Ų | 120 | 149.6 Ų | 149.6 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 131 | -174 | 29.4 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 17 | S | 52 | Low | 56.7 | Low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | 27.5 | 112.3 | 155.8 | 61.4 | 0 | 0 | 0 | 0 | 118.7 | A19 | S17-A19 PolarHBondContact O-N 2.84Š| ||
| 18 | V | 57.2 | Low | 58.1 | Low | 147 Ų | 147 | 147.2 Ų | 147.2 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -56 | 110.4 | 147.8 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | K20 | V18-K20 PolarHBondContact O-N 3.27Š| ||
| 19 | A | 58.8 | Low | 59.8 | Low | 84 Ų | 84 | 139.8 Ų | 139.8 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | -60.1 | 111 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S17 K21 | S17-A19 PolarHBondContact O-N 2.84Å; A19-K21 PolarHBondContact O-N 3.44Å | ||
| 20 | K | 62.2 | Low | 61.7 | Low | 200 Ų | 200 | 141.9 Ų | 141.9 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -54.9 | 115.4 | 164.7 | -82.6 | -176 | 175.8 | 178.3 | 0 | 106.6 | V18 H22 | V18-K20 PolarHBondContact O-N 3.27Å; K20-H22 PolarHBondContact O-N 3.05Å | ||
| 21 | K | 59.5 | Low | 63.7 | Low | 202 Ų | 202 | 138.7 Ų | 138.7 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -51.5 | 109.7 | 174.4 | -139.8 | 177.1 | -171.7 | 178 | 0 | 106.7 | A19 E23 | A19-K21 PolarHBondContact O-N 3.44Å; K21-E23 PolarHBondContact O-N 2.92Å | ||
| 22 | H | 58.5 | Low | 65.3 | Low | 154 Ų | 154 | 136.9 Ų | 136.9 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -71.4 | 98.4 | -176.5 | -171 | 2.5 | 0 | 0 | 0 | 107.2 | K20 P24 | K20-H22 PolarHBondContact O-N 3.05Å; H22-P24 WeakPolarHBondContact O-CD 3.39Å; H22-P24 VanDerWaalsContact O-N 3.17Å | ||
| 23 | E | 65.3 | Low | 67.1 | Low | 167 Ų | 167 | 135.9 Ų | 135.9 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -58.1 | 121.9 | 168 | -69.7 | -165.9 | 150 | 0 | 0 | 107.3 | K21 K25 | K21-E23 PolarHBondContact O-N 2.92Å; E23-K25 PolarHBondContact O-N 2.82Å | ||
| 24 | P | 62.1 | Low | 68.7 | Low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 115.6 | -178.4 | 24.7 | -32.2 | 0 | 0 | 0 | 107.9 | H22 K26 | H22-P24 WeakPolarHBondContact O-CD 3.39Å; H22-P24 VanDerWaalsContact O-N 3.17Å; P24-K26 PolarHBondContact O-N 3.12Å | ||
| 25 | K | 65.8 | Low | 70.3 | Confident | 182 Ų | 182 | 145.1 Ų | 145.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -55.8 | 110.4 | 172.7 | -71.8 | -178.5 | 178 | 178.7 | 0 | 107.3 | E23 V27 | E23-K25 PolarHBondContact O-N 2.82Å; K25-V27 PolarHBondContact O-N 3.16Å; K25-V27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | K | 72 | Confident | 72 | Confident | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -55.1 | 121.3 | 176.1 | -72 | 179.8 | 178.8 | 175.3 | 0 | 107.8 | P24 V28 | P24-K26 PolarHBondContact O-N 3.12Å; K26-V28 VanDerWaalsContact C-N 3.35Å; K26-V28 PolarHBondContact O-N 3.05Å | ||
| 27 | V | 70.6 | Confident | 74.2 | Confident | 146 Ų | 146 | 147.1 Ų | 147.1 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | trans | -68.5 | 95.8 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | K25 N29 | K25-V27 PolarHBondContact O-N 3.16Å; K25-V27 VanDerWaalsContact O-N 3.11Å; V27-N29 PolarHBondContact O-N 3.3Å | ||
| 28 | V | 75.1 | Confident | 76.3 | Confident | 118 Ų | 118 | 146.5 Ų | 146.5 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | -81.8 | 107.7 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | K26 P30 | K26-V28 VanDerWaalsContact C-N 3.35Å; K26-V28 PolarHBondContact O-N 3.05Å; V28-P30 WeakPolarHBondContact O-CD 3.44Å | ||
| 29 | N | 82.6 | Confident | 78.2 | Confident | 60 Ų | 60 | 143.7 Ų | 143.7 | 32% | 0.321 | 71% | 0.713 | S | S | . | * | trans | -67.4 | 119.7 | 171.9 | -178.9 | -11.8 | 0 | 0 | 0 | 108.6 | V27 L31 F32 | V27-N29 PolarHBondContact O-N 3.3Å; N29-L31 PolarHBondContact O-N 3.42Å; N29-L31 VanDerWaalsContact O-N 3.09Å; N29-L31 WeakPolarHBondContact OD1-CB 3.36Å; N29-L31 WeakPolarHBondContact OD1-CG 3.39Å; N29-L31 PolarHBondContact OD1-N 3.25Å; N29-F32 HydrophobicContact CB-CD2 3.72Å; N29-F32 HydrophobicContact CB-CE2 4Å; N29-F32 PolarHBondContact O-N 3.34Å | ||
| 30 | P | 82.9 | Confident | 80 | Confident | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -13.2 | -178.1 | 26.8 | -35.5 | 0 | 0 | 0 | 113.7 | V28 F32 | V28-P30 WeakPolarHBondContact O-CD 3.44Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 3.47Å |
| 31 | L | 89.2 | Confident | 81.6 | Confident | 143 Ų | 143 | 139.8 Ų | 139.8 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -13.5 | 173.2 | -56.8 | 175.4 | 0 | 0 | 0 | 113.5 | N29 | N29-L31 PolarHBondContact O-N 3.42Å; N29-L31 VanDerWaalsContact O-N 3.09Å; N29-L31 WeakPolarHBondContact OD1-CB 3.36Å; N29-L31 WeakPolarHBondContact OD1-CG 3.39Å; N29-L31 PolarHBondContact OD1-N 3.25Å |
| 32 | F | 85.9 | Confident | 83.3 | Confident | 166 Ų | 166 | 133.8 Ų | 133.8 | 73% | 0.728 | 69% | 0.69 | S | S | * | * | trans | -98.6 | 92.9 | 179 | -65.4 | -40.7 | 0 | 0 | 0 | 112.1 | N29 P30 | N29-F32 HydrophobicContact CB-CD2 3.72Å; N29-F32 HydrophobicContact CB-CE2 4Å; N29-F32 PolarHBondContact O-N 3.34Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 3.47Å | ||
| 33 | E | 87.6 | Confident | 85.1 | Confident | 126 Ų | 126 | 132.3 Ų | 132.3 | 59% | 0.589 | 68% | 0.683 | S | S | * | * | trans | -96.6 | 150.9 | 172.8 | 58.1 | 174.4 | -172 | 0 | 0 | 113.4 | R35 | E33-R35 HydrophobicContact CG-CG 4.16Å; E33-R35 PolarHBondContact O-N 2.91Å; E33-R35 IonicContact OE1-CZ 3.01Å; E33-R35 IonicContact OE1-NE 3.34Å; E33-R35 PolarHBondContact OE1-NE 2.95Å; E33-R35 IonicContact OE1-NH2 2.68Å; E33-R35 PolarHBondContact OE1-NH2 2.97Å | ||
| 34 | K | 91.2 | Very high | 86.6 | Confident | 204 Ų | 204 | 127.3 Ų | 127.3 | 89% | 0.887 | 66% | 0.662 | S | S | * | * | trans | -77.5 | 109.8 | 173.3 | -68.2 | -179.8 | -177.2 | 174.3 | 0 | 109.1 | P36 | K34-P36 WeakPolarHBondContact O-CD 3.46Š| ||
| 35 | R | 90.8 | Very high | 88.2 | Confident | 203 Ų | 203 | 129.3 Ų | 129.3 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | trans | -104.1 | 73.8 | 169.9 | -62.2 | -176.7 | 177.9 | -179.6 | -0.5 | 110.9 | E33 | E33-R35 HydrophobicContact CG-CG 4.16Å; E33-R35 PolarHBondContact O-N 2.91Å; E33-R35 IonicContact OE1-CZ 3.01Å; E33-R35 IonicContact OE1-NE 3.34Å; E33-R35 PolarHBondContact OE1-NE 2.95Å; E33-R35 IonicContact OE1-NH2 2.68Å; E33-R35 PolarHBondContact OE1-NH2 2.97Å | ||
| 36 | P | 93.8 | Very high | 89.6 | Confident | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | trans | -67 | 137.4 | 176.6 | 30.6 | -34.9 | 0 | 0 | 0 | 110.1 | K34 | K34-P36 WeakPolarHBondContact O-CD 3.46Š| ||
| 37 | K | 95.3 | Very high | 90.8 | Very high | 139 Ų | 139 | 118 Ų | 118 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | trans | -92.5 | 138.1 | 175.3 | -68.8 | -168 | 177.5 | -165.2 | 0 | 111 | F39 D44 | K37-F39 HydrophobicContact CB-CD1 4.36Å; K37-F39 HydrophobicContact CB-CE1 3.67Å; K37-F39 HydrophobicContact CB-CE2 4.17Å; K37-F39 HydrophobicContact CB-CZ 3.57Å; K37-F39 HydrophobicContact CD-CE1 4.17Å; K37-F39 HydrophobicContact CD-CZ 4.3Å; K37-F39 HydrophobicContact CG-CZ 4.49Å; K37-D44 VanDerWaalsContact CA-OD2 3.22Å; K37-D44 WeakPolarHBondContact CA-OD2 3.35Å; K37-D44 HydrophobicContact CB-CB 4.08Å; K37-D44 WeakPolarHBondContact CB-OD2 3.4Å; K37-D44 HydrophobicContact CD-CB 4.45Å | ||
| 38 | N | 96.3 | Very high | 92 | Very high | 88 Ų | 88 | 121.4 Ų | 121.4 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | trans | -94.2 | 101.5 | 176.4 | -177.4 | -0.2 | 0 | 0 | 0 | 109.6 | G40 Q43 D44 | N38-G40 PolarHBondContact O-N 3.22Å; N38-G40 VanDerWaalsContact O-N 3.14Å; N38-G40 PolarHBondContact OD1-N 3.41Å; N38-Q43 HydrophobicContact CB-CB 4.23Å; N38-Q43 WeakPolarHBondContact O-CB 3.34Å; N38-D44 PolarHBondContact N-OD2 3.05Å; N38-D44 WeakPolarHBondContact O-CB 3.37Å; N38-D44 PolarHBondContact O-N 3.46Å | ||
| 39 | F | 96.7 | Very high | 93 | Very high | 88 Ų | 88 | 122.9 Ų | 122.9 | 39% | 0.386 | 62% | 0.618 | S | S | . | * | trans | -85 | 31.2 | 177.8 | -52 | -61.1 | 0 | 0 | 0 | 113.5 | K37 D44 I45 Q46 P47 | K37-F39 HydrophobicContact CB-CD1 4.36Å; K37-F39 HydrophobicContact CB-CE1 3.67Å; K37-F39 HydrophobicContact CB-CE2 4.17Å; K37-F39 HydrophobicContact CB-CZ 3.57Å; K37-F39 HydrophobicContact CD-CE1 4.17Å; K37-F39 HydrophobicContact CD-CZ 4.3Å; K37-F39 HydrophobicContact CG-CZ 4.49Å; F39-D44 HydrophobicContact CD1-CB 4.05Å; F39-D44 HydrophobicContact CE1-CB 4.24Å; F39-I45 WeakPolarHBondContact CD1-O 3.24Å; F39-I45 WeakPolarHBondContact CE1-O 3.46Å; F39-Q46 PolarHBondContact O-NE2 2.82Å; F39-P47 HydrophobicContact CD1-CG 4.5Å; F39-P47 HydrophobicContact CD2-CG 4.39Å; F39-P47 HydrophobicContact CG-CG 4.37Å | ||
| 40 | G | 95.6 | Very high | 93.7 | Very high | 25 Ų | 25 | 125.8 Ų | 125.8 | 26% | 0.258 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -65.8 | 175 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N38 Q46 | N38-G40 PolarHBondContact O-N 3.22Å; N38-G40 VanDerWaalsContact O-N 3.14Å; N38-G40 PolarHBondContact OD1-N 3.41Å; G40-Q46 PolarHBondContact O-NE2 2.86Å |
| 41 | I | 96.3 | Very high | 94.4 | Very high | 176 Ų | 176 | 125.1 Ų | 125.1 | 90% | 0.903 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 129.5 | 173.8 | -58 | 175.8 | 0 | 0 | 0 | 108.2 | Q43 | I41-Q43 VanDerWaalsContact C-N 3.31Å; I41-Q43 PolarHBondContact O-N 2.94Å |
| 42 | G | 95.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.9 | 15.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 43 | Q | 96.6 | Very high | 95.2 | Very high | 123 Ų | 123 | 123 Ų | 123 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -111.7 | -138.1 | -179.5 | -60.2 | -67.9 | -46.9 | 0 | 0 | 109.9 | N38 I41 | N38-Q43 HydrophobicContact CB-CB 4.23Å; N38-Q43 WeakPolarHBondContact O-CB 3.34Å; I41-Q43 VanDerWaalsContact C-N 3.31Å; I41-Q43 PolarHBondContact O-N 2.94Å |
| 44 | D | 96.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 124.1 Ų | 124.1 | 33% | 0.326 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -59.6 | 152.5 | 179 | -77.3 | -74.2 | 0 | 0 | 0 | 113.3 | K37 N38 F39 Q46 | K37-D44 VanDerWaalsContact CA-OD2 3.22Å; K37-D44 WeakPolarHBondContact CA-OD2 3.35Å; K37-D44 HydrophobicContact CB-CB 4.08Å; K37-D44 WeakPolarHBondContact CB-OD2 3.4Å; K37-D44 HydrophobicContact CD-CB 4.45Å; N38-D44 PolarHBondContact N-OD2 3.05Å; N38-D44 WeakPolarHBondContact O-CB 3.37Å; N38-D44 PolarHBondContact O-N 3.46Å; F39-D44 HydrophobicContact CD1-CB 4.05Å; F39-D44 HydrophobicContact CE1-CB 4.24Å; D44-Q46 PolarHBondContact O-N 3.05Å |
| 45 | I | 95.8 | Very high | 95.9 | Very high | 156 Ų | 156 | 117.8 Ų | 117.8 | 80% | 0.8 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 125.7 | 173.1 | -60.4 | 176.4 | 0 | 0 | 0 | 109.9 | F39 | F39-I45 WeakPolarHBondContact CD1-O 3.24Å; F39-I45 WeakPolarHBondContact CE1-O 3.46Å |
| 46 | Q | 95.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 117.6 Ų | 117.6 | 39% | 0.388 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 138.7 | -178.7 | -64.1 | -69.3 | -47.2 | 0 | 0 | 111.5 | F39 G40 D44 | F39-Q46 PolarHBondContact O-NE2 2.82Å; G40-Q46 PolarHBondContact O-NE2 2.86Å; D44-Q46 PolarHBondContact O-N 3.05Å |
| 47 | P | 96.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 115.3 Ų | 115.3 | 36% | 0.357 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 159.6 | 177.7 | 30.9 | -35.6 | 0 | 0 | 0 | 110.7 | F39 R49 | F39-P47 HydrophobicContact CD1-CG 4.5Å; F39-P47 HydrophobicContact CD2-CG 4.39Å; F39-P47 HydrophobicContact CG-CG 4.37Å; P47-R49 PolarHBondContact O-N 3.47Å |
| 48 | K | 96.8 | Very high | 96.6 | Very high | 217 Ų | 217 | 111.8 Ų | 111.8 | 94% | 0.943 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 125.9 | 168.9 | -65 | -179.9 | -178.3 | 177.1 | 0 | 108.9 | ||
| 49 | R | 95.8 | Very high | 96.6 | Very high | 149 Ų | 149 | 117.6 Ų | 117.6 | 56% | 0.562 | 58% | 0.577 | S | S | * | * | trans | -123.1 | 164.5 | 179.3 | -71.9 | 178.2 | 178.6 | 143.3 | 7.7 | 109.9 | P47 L51 | P47-R49 PolarHBondContact O-N 3.47Å; R49-L51 PolarHBondContact O-N 2.67Å; R49-L51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | D | 97.4 | Very high | 96.7 | Very high | 121 Ų | 121 | 120.5 Ų | 120.5 | 65% | 0.647 | 59% | 0.587 | S | S | * | * | trans | -65.6 | 112.3 | 169.2 | 178 | 25.8 | 0 | 0 | 0 | 110.5 | T52 | D50-T52 WeakPolarHBondContact OD1-CB 3.29Å; D50-T52 PolarHBondContact OD1-N 3.22Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å | ||
| 51 | L | 96.9 | Very high | 96.8 | Very high | 109 Ų | 109 | 120.1 Ų | 120.1 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | trans | -100 | 3.9 | 177.1 | -62.2 | -179.7 | 0 | 0 | 0 | 112.8 | R49 R53 F54 V55 | R49-L51 PolarHBondContact O-N 2.67Å; R49-L51 VanDerWaalsContact O-N 3.12Å; L51-R53 PolarHBondContact O-N 3.46Å; L51-F54 HydrophobicContact CD2-CD2 4.43Å; L51-F54 CarbonylContact O-C 3.56Å; L51-F54 WeakPolarHBondContact O-CA 3.48Å; L51-F54 PolarHBondContact O-N 3.25Å; L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.04Å | ||
| 52 | T | 96.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 117.2 Ų | 117.2 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.3 | -34.8 | -173.9 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | D50 W57 | D50-T52 WeakPolarHBondContact OD1-CB 3.29Å; D50-T52 PolarHBondContact OD1-N 3.22Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å; T52-W57 HydrophobicContact CG2-CH2 4.32Å; T52-W57 HydrophobicContact CG2-CZ2 3.77Å; T52-W57 WeakPolarHBondContact O-CZ2 3.45Å; T52-W57 PolarHBondContact O-NE1 3.03Å |
| 53 | R | 96 | Very high | 97 | Very high | 189 Ų | 189 | 119.2 Ų | 119.2 | 71% | 0.713 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -30.1 | 176.1 | -174.5 | 179.2 | 176.9 | -155.7 | 3.4 | 114.2 | L51 | L51-R53 PolarHBondContact O-N 3.46Š|
| 54 | F | 96.4 | Very high | 97 | Very high | 149 Ų | 149 | 119.1 Ų | 119.1 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -9 | -174.3 | -54.2 | -74.1 | 0 | 0 | 0 | 113.5 | L51 K56 | L51-F54 HydrophobicContact CD2-CD2 4.43Å; L51-F54 CarbonylContact O-C 3.56Å; L51-F54 WeakPolarHBondContact O-CA 3.48Å; L51-F54 PolarHBondContact O-N 3.25Å; F54-K56 PolarHBondContact O-N 3.42Å |
| 55 | V | 97.4 | Very high | 97.1 | Very high | 71 Ų | 71 | 121.9 Ų | 121.9 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -52 | 135.7 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | L51 W57 | L51-V55 WeakPolarHBondContact O-CG2 3.47Å; L51-V55 PolarHBondContact O-N 3.04Å; V55-W57 VanDerWaalsContact C-N 3.29Å; V55-W57 HydrophobicContact CG1-CD2 4.26Å; V55-W57 HydrophobicContact CG1-CG 4.39Å; V55-W57 PolarHBondContact O-N 3.22Å |
| 56 | K | 97.1 | Very high | 97.2 | Very high | 199 Ų | 199 | 120 Ų | 120 | 87% | 0.865 | 54% | 0.542 | S | S | * | . | trans | -72.1 | 81 | 169 | -173.5 | 178.1 | 179 | 179 | 0 | 110.1 | F54 | F54-K56 PolarHBondContact O-N 3.42Š| ||
| 57 | W | 97.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 122.2 Ų | 122.2 | 27% | 0.269 | 55% | 0.547 | S | S | . | . | trans | -58.8 | 143.5 | -174.6 | -71.6 | 93.3 | 0 | 0 | 0 | 113.7 | T52 V55 V61 R62 R65 | T52-W57 HydrophobicContact CG2-CH2 4.32Å; T52-W57 HydrophobicContact CG2-CZ2 3.77Å; T52-W57 WeakPolarHBondContact O-CZ2 3.45Å; T52-W57 PolarHBondContact O-NE1 3.03Å; V55-W57 VanDerWaalsContact C-N 3.29Å; V55-W57 HydrophobicContact CG1-CD2 4.26Å; V55-W57 HydrophobicContact CG1-CG 4.39Å; V55-W57 PolarHBondContact O-N 3.22Å; W57-V61 HydrophobicContact CB-CB 4.34Å; W57-V61 HydrophobicContact CB-CG1 4.29Å; W57-V61 HydrophobicContact CD2-CG1 4.13Å; W57-V61 HydrophobicContact CE3-CB 4.31Å; W57-V61 HydrophobicContact CE3-CG1 3.77Å; W57-V61 HydrophobicContact CE3-CG2 4.31Å; W57-V61 HydrophobicContact CG-CG1 4.36Å; W57-V61 HydrophobicContact CZ3-CG1 4.49Å; W57-R62 HydrophobicContact CB-CG 3.9Å; W57-R62 WeakPolarHBondContact O-CD 3.28Å; W57-R62 PolarHBondContact O-NE 2.85Å; W57-R65 VanDerWaalsContact NE1-NH1 3.12Å | ||
| 58 | P | 98.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 122.6 Ų | 122.6 | 42% | 0.416 | 55% | 0.551 | S | S | . | * | trans | -52.9 | 153.3 | 173 | -28.6 | 36.4 | 0 | 0 | 0 | 113.5 | Y60 V61 R62 | P58-Y60 VanDerWaalsContact C-N 3.33Å; P58-Y60 HydrophobicContact CB-CD1 3.79Å; P58-Y60 HydrophobicContact CB-CE1 3.56Å; P58-Y60 HydrophobicContact CG-CE1 4.21Å; P58-Y60 PolarHBondContact O-N 2.85Å; P58-V61 HydrophobicContact CB-CG2 4.47Å; P58-V61 PolarHBondContact O-N 2.82Å; P58-R62 PolarHBondContact O-N 3.48Å; P58-R62 VanDerWaalsContact O-N 3.09Å | ||
| 59 | R | 98.1 | Very high | 97.1 | Very high | 210 Ų | 210 | 116.4 Ų | 116.4 | 79% | 0.792 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.4 | -44.2 | -174 | -74.6 | -177.4 | 72.6 | -177.2 | 2.1 | 112.9 | V61 R62 L63 | R59-V61 PolarHBondContact O-N 2.94Å; R59-R62 PolarHBondContact O-N 3.47Å; R59-L63 WeakPolarHBondContact O-CB 3.45Å; R59-L63 PolarHBondContact O-N 2.88Å |
| 60 | Y | 98.1 | Very high | 97.2 | Very high | 150 Ų | 150 | 114 Ų | 114 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | -178.6 | 74.5 | -87.1 | 0 | 0 | 0 | 112.6 | P58 L63 Q64 | P58-Y60 VanDerWaalsContact C-N 3.33Å; P58-Y60 HydrophobicContact CB-CD1 3.79Å; P58-Y60 HydrophobicContact CB-CE1 3.56Å; P58-Y60 HydrophobicContact CG-CE1 4.21Å; P58-Y60 PolarHBondContact O-N 2.85Å; Y60-L63 PolarHBondContact O-N 3.47Å; Y60-Q64 WeakPolarHBondContact O-CB 3.33Å; Y60-Q64 VanDerWaalsContact O-CG 3.28Å; Y60-Q64 WeakPolarHBondContact O-CG 3.32Å; Y60-Q64 PolarHBondContact O-N 3Å |
| 61 | V | 97.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 114.6 Ų | 114.6 | 10% | 0.103 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | W57 P58 R59 R65 | W57-V61 HydrophobicContact CB-CB 4.34Å; W57-V61 HydrophobicContact CB-CG1 4.29Å; W57-V61 HydrophobicContact CD2-CG1 4.13Å; W57-V61 HydrophobicContact CE3-CB 4.31Å; W57-V61 HydrophobicContact CE3-CG1 3.77Å; W57-V61 HydrophobicContact CE3-CG2 4.31Å; W57-V61 HydrophobicContact CG-CG1 4.36Å; W57-V61 HydrophobicContact CZ3-CG1 4.49Å; P58-V61 HydrophobicContact CB-CG2 4.47Å; P58-V61 PolarHBondContact O-N 2.82Å; R59-V61 PolarHBondContact O-N 2.94Å; V61-R65 HydrophobicContact CG1-CG 4.49Å; V61-R65 VanDerWaalsContact CG1-CZ 3.5Å; V61-R65 WeakPolarHBondContact O-CB 3.08Å; V61-R65 VanDerWaalsContact O-CG 3.3Å; V61-R65 WeakPolarHBondContact O-CG 3.36Å; V61-R65 PolarHBondContact O-N 3.43Å |
| 62 | R | 97.7 | Very high | 97 | Very high | 115 Ų | 115 | 114.9 Ų | 114.9 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 176.2 | -73.1 | -168.8 | -78.6 | 141.5 | -5.9 | 111.3 | W57 P58 R59 Q64 R65 Q66 | W57-R62 HydrophobicContact CB-CG 3.9Å; W57-R62 WeakPolarHBondContact O-CD 3.28Å; W57-R62 PolarHBondContact O-NE 2.85Å; P58-R62 PolarHBondContact O-N 3.48Å; P58-R62 VanDerWaalsContact O-N 3.09Å; R59-R62 PolarHBondContact O-N 3.47Å; R62-Q64 PolarHBondContact O-N 2.66Å; R62-R65 PolarHBondContact O-N 3.07Å; R62-Q66 VanDerWaalsContact O-CB 3.32Å; R62-Q66 WeakPolarHBondContact O-CB 3.36Å; R62-Q66 VanDerWaalsContact O-CG 3.27Å; R62-Q66 WeakPolarHBondContact O-CG 3.4Å; R62-Q66 PolarHBondContact O-N 3.37Å; R62-Q66 PolarHBondContact O-OE1 2.93Å |
| 63 | L | 97.9 | Very high | 97 | Very high | 119 Ų | 119 | 115.9 Ų | 115.9 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -45.9 | -179.6 | -174.5 | 64.9 | 0 | 0 | 0 | 112.2 | R59 Y60 Q66 R67 | R59-L63 WeakPolarHBondContact O-CB 3.45Å; R59-L63 PolarHBondContact O-N 2.88Å; Y60-L63 PolarHBondContact O-N 3.47Å; L63-Q66 PolarHBondContact O-N 2.64Å; L63-R67 WeakPolarHBondContact O-CB 3.41Å; L63-R67 PolarHBondContact O-N 3.27Å |
| 64 | Q | 97.3 | Very high | 97.1 | Very high | 121 Ų | 121 | 111.5 Ų | 111.5 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 177.3 | -71.1 | 171.7 | 7.7 | 0 | 0 | 112.3 | Y60 R62 R67 S68 | Y60-Q64 WeakPolarHBondContact O-CB 3.33Å; Y60-Q64 VanDerWaalsContact O-CG 3.28Å; Y60-Q64 WeakPolarHBondContact O-CG 3.32Å; Y60-Q64 PolarHBondContact O-N 3Å; R62-Q64 PolarHBondContact O-N 2.66Å; Q64-R67 PolarHBondContact O-N 3.02Å; Q64-S68 PolarHBondContact O-N 3.47Å; Q64-S68 VanDerWaalsContact O-N 3.09Å |
| 65 | R | 97.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 111.2 Ų | 111.2 | 45% | 0.445 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 175.8 | -71.4 | 176.7 | -176.4 | 171.5 | 6.5 | 111.6 | W57 V61 R62 S68 I69 | W57-R65 VanDerWaalsContact NE1-NH1 3.12Å; V61-R65 HydrophobicContact CG1-CG 4.49Å; V61-R65 VanDerWaalsContact CG1-CZ 3.5Å; V61-R65 WeakPolarHBondContact O-CB 3.08Å; V61-R65 VanDerWaalsContact O-CG 3.3Å; V61-R65 WeakPolarHBondContact O-CG 3.36Å; V61-R65 PolarHBondContact O-N 3.43Å; R62-R65 PolarHBondContact O-N 3.07Å; R65-S68 PolarHBondContact O-N 3.49Å; R65-I69 VanDerWaalsContact O-CG1 3.29Å; R65-I69 WeakPolarHBondContact O-CG1 3.35Å; R65-I69 PolarHBondContact O-N 3.33Å |
| 66 | Q | 97.6 | Very high | 97.1 | Very high | 117 Ų | 117 | 108.5 Ų | 108.5 | 55% | 0.547 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.9 | -76.3 | 171.2 | -43 | 0 | 0 | 111.5 | R62 L63 S68 I69 L70 | R62-Q66 VanDerWaalsContact O-CB 3.32Å; R62-Q66 WeakPolarHBondContact O-CB 3.36Å; R62-Q66 VanDerWaalsContact O-CG 3.27Å; R62-Q66 WeakPolarHBondContact O-CG 3.4Å; R62-Q66 PolarHBondContact O-N 3.37Å; R62-Q66 PolarHBondContact O-OE1 2.93Å; L63-Q66 PolarHBondContact O-N 2.64Å; Q66-S68 PolarHBondContact O-N 3.48Å; Q66-I69 PolarHBondContact O-N 2.92Å; Q66-L70 WeakPolarHBondContact O-CB 3.44Å; Q66-L70 PolarHBondContact O-N 3.23Å |
| 67 | R | 96.3 | Very high | 97.1 | Very high | 130 Ų | 130 | 101.8 Ų | 101.8 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -54.5 | -50.2 | 173.1 | -172.6 | 168.4 | 82.8 | 151.2 | 3.8 | 111 | L63 Q64 I69 L70 Y71 D162 | L63-R67 WeakPolarHBondContact O-CB 3.41Å; L63-R67 PolarHBondContact O-N 3.27Å; Q64-R67 PolarHBondContact O-N 3.02Å; R67-I69 PolarHBondContact O-N 3.11Å; R67-L70 PolarHBondContact O-N 3.42Å; R67-Y71 HydrophobicContact CG-CD2 4.05Å; R67-Y71 HydrophobicContact CG-CE2 3.87Å; R67-Y71 WeakPolarHBondContact O-CD2 3.48Å; R67-Y71 PolarHBondContact O-N 3.16Å; R67-Y71 VanDerWaalsContact O-N 3.11Å; R67-D162 IonicContact CZ-OD2 2.71Å; R67-D162 IonicContact NH1-OD2 3.22Å; R67-D162 PolarHBondContact NH1-OD2 3.49Å; R67-D162 IonicContact NH2-OD2 3Å; R67-D162 PolarHBondContact NH2-OD2 3.4Å |
| 68 | S | 95.5 | Very high | 97.1 | Very high | 63 Ų | 63 | 99.1 Ų | 99.1 | 44% | 0.441 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 178.2 | -174 | 0 | 0 | 0 | 0 | 113.8 | Q64 R65 Q66 | Q64-S68 PolarHBondContact O-N 3.47Å; Q64-S68 VanDerWaalsContact O-N 3.09Å; R65-S68 PolarHBondContact O-N 3.49Å; Q66-S68 PolarHBondContact O-N 3.48Å |
| 69 | I | 96.7 | Very high | 97.1 | Very high | 87 Ų | 87 | 98.5 Ų | 98.5 | 45% | 0.446 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 174.4 | -68.9 | 163.4 | 0 | 0 | 0 | 110.4 | R65 Q66 R67 Y71 K72 R73 | R65-I69 VanDerWaalsContact O-CG1 3.29Å; R65-I69 WeakPolarHBondContact O-CG1 3.35Å; R65-I69 PolarHBondContact O-N 3.33Å; Q66-I69 PolarHBondContact O-N 2.92Å; R67-I69 PolarHBondContact O-N 3.11Å; I69-Y71 PolarHBondContact O-N 3.38Å; I69-K72 WeakPolarHBondContact O-CB 3.42Å; I69-K72 PolarHBondContact O-N 3.05Å; I69-R73 HydrophobicContact CG2-CG 4.04Å; I69-R73 VanDerWaalsContact O-CG 3.3Å; I69-R73 WeakPolarHBondContact O-CG 3.45Å; I69-R73 PolarHBondContact O-N 2.98Å; I69-R73 VanDerWaalsContact O-N 3.09Å |
| 70 | L | 97.1 | Very high | 97 | Very high | 99 Ų | 99 | 91.2 Ų | 91.2 | 52% | 0.518 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | -177.8 | -169.6 | 65.8 | 0 | 0 | 0 | 111.6 | Q66 R67 K72 R73 L74 | Q66-L70 WeakPolarHBondContact O-CB 3.44Å; Q66-L70 PolarHBondContact O-N 3.23Å; R67-L70 PolarHBondContact O-N 3.42Å; L70-K72 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact O-N 3.14Å; L70-R73 PolarHBondContact O-N 3.24Å; L70-L74 HydrophobicContact CD1-CD1 3.9Å; L70-L74 HydrophobicContact CD1-CD2 4.17Å; L70-L74 HydrophobicContact CD1-CG 3.85Å; L70-L74 HydrophobicContact CD2-CD1 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.72Å; L70-L74 HydrophobicContact CG-CG 4.04Å; L70-L74 PolarHBondContact O-N 3.04Å |
| 71 | Y | 94.8 | Very high | 96.9 | Very high | 133 Ų | 133 | 84.6 Ų | 84.6 | 52% | 0.522 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.7 | -25.1 | 173.2 | -87.4 | -73.8 | 0 | 0 | 0 | 114.2 | R67 I69 V76 | R67-Y71 HydrophobicContact CG-CD2 4.05Å; R67-Y71 HydrophobicContact CG-CE2 3.87Å; R67-Y71 WeakPolarHBondContact O-CD2 3.48Å; R67-Y71 PolarHBondContact O-N 3.16Å; R67-Y71 VanDerWaalsContact O-N 3.11Å; I69-Y71 PolarHBondContact O-N 3.38Å; Y71-V76 VanDerWaalsContact O-CG2 3.25Å; Y71-V76 WeakPolarHBondContact O-CG2 3.01Å |
| 72 | K | 95.4 | Very high | 96.9 | Very high | 115 Ų | 115 | 84.4 Ų | 84.4 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -86.5 | -25.9 | 175.3 | -67.8 | 177.2 | -179.7 | -176.6 | 0 | 113.1 | I69 L70 G239 N240 I241 | I69-K72 WeakPolarHBondContact O-CB 3.42Å; I69-K72 PolarHBondContact O-N 3.05Å; L70-K72 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact O-N 3.14Å; K72-G239 CarbonylContact O-C 3.54Å; K72-N240 PolarHBondContact O-N 2.96Å; K72-I241 PolarHBondContact O-N 3.18Å |
| 73 | R | 96.9 | Very high | 96.8 | Very high | 96 Ų | 96 | 79.3 Ų | 79.3 | 36% | 0.362 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -88.8 | -42.5 | -175.2 | -67.5 | -72.7 | 175.6 | -82.3 | -13.3 | 112.6 | I69 L70 N240 I241 L242 G243 | I69-R73 HydrophobicContact CG2-CG 4.04Å; I69-R73 VanDerWaalsContact O-CG 3.3Å; I69-R73 WeakPolarHBondContact O-CG 3.45Å; I69-R73 PolarHBondContact O-N 2.98Å; I69-R73 VanDerWaalsContact O-N 3.09Å; L70-R73 PolarHBondContact O-N 3.24Å; R73-N240 WeakPolarHBondContact O-CA 3.43Å; R73-I241 WeakPolarHBondContact CD-O 3.46Å; R73-I241 PolarHBondContact NH1-O 2.89Å; R73-L242 PolarHBondContact NH1-O 3.05Å; R73-G243 VanDerWaalsContact NH2-CA 3.25Å |
| 74 | L | 97.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 78.1 Ų | 78.1 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -69.3 | 155.3 | 177.2 | -60.9 | -178.5 | 0 | 0 | 0 | 110.6 | L70 V76 G239 N240 | L70-L74 HydrophobicContact CD1-CD1 3.9Å; L70-L74 HydrophobicContact CD1-CD2 4.17Å; L70-L74 HydrophobicContact CD1-CG 3.85Å; L70-L74 HydrophobicContact CD2-CD1 4.26Å; L70-L74 HydrophobicContact CG-CD1 3.72Å; L70-L74 HydrophobicContact CG-CG 4.04Å; L70-L74 PolarHBondContact O-N 3.04Å; L74-V76 PolarHBondContact O-N 3.41Å; L74-G239 WeakPolarHBondContact O-CA 3.38Å; L74-N240 PolarHBondContact O-N 2.83Å |
| 75 | K | 97.6 | Very high | 96.5 | Very high | 144 Ų | 144 | 75.6 Ų | 75.6 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 116.4 | 164.8 | -74.4 | 179.8 | 177.4 | -178.4 | 0 | 108 | W237 G238 N240 | K75-W237 HydrophobicContact CB-CE3 4.12Å; K75-W237 HydrophobicContact CB-CZ3 4.38Å; K75-G238 WeakPolarHBondContact CA-O 3.22Å; K75-N240 HydrophobicContact CG-CB 3.98Å |
| 76 | V | 97.1 | Very high | 96.4 | Very high | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.7 | -177.9 | -180 | 0 | 0 | 0 | 0 | 109.1 | Y71 L74 I80 N81 G238 | Y71-V76 VanDerWaalsContact O-CG2 3.25Å; Y71-V76 WeakPolarHBondContact O-CG2 3.01Å; L74-V76 PolarHBondContact O-N 3.41Å; V76-I80 HydrophobicContact CG1-CB 3.84Å; V76-I80 HydrophobicContact CG1-CG2 3.86Å; V76-N81 HydrophobicContact CG1-CB 4.24Å; V76-G238 PolarHBondContact N-O 3.03Å; V76-G238 PolarHBondContact O-N 2.86Å |
| 77 | P | 97.6 | Very high | 96.4 | Very high | 57 Ų | 57 | 66 Ų | 66 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -56 | 143.5 | 177.6 | -27.5 | 35.5 | 0 | 0 | 0 | 112.5 | A79 I80 N81 W237 | P77-A79 VanDerWaalsContact C-N 3.25Å; P77-A79 PolarHBondContact O-N 3.36Å; P77-A79 VanDerWaalsContact O-N 3.15Å; P77-I80 PolarHBondContact O-N 3.2Å; P77-N81 PolarHBondContact O-N 2.76Å; P77-W237 HydrophobicContact CB-CZ3 4.31Å; P77-W237 HydrophobicContact CG-CZ3 4.12Å |
| 78 | P | 97.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54 | -38 | -176.7 | -27.9 | 34.8 | 0 | 0 | 0 | 114.2 | I80 N81 Q82 I233 R234 W237 | P78-I80 PolarHBondContact O-N 3.2Å; P78-I80 VanDerWaalsContact O-N 3.17Å; P78-N81 PolarHBondContact O-N 3.5Å; P78-N81 VanDerWaalsContact O-N 3.12Å; P78-Q82 PolarHBondContact O-N 2.95Å; P78-I233 WeakPolarHBondContact CB-O 3.48Å; P78-R234 WeakPolarHBondContact CB-O 3.35Å; P78-R234 VanDerWaalsContact CG-O 3.3Å; P78-R234 WeakPolarHBondContact CG-O 3.42Å; P78-W237 HydrophobicContact CG-CD2 4.25Å; P78-W237 HydrophobicContact CG-CG 4.03Å |
| 79 | A | 96.8 | Very high | 96.5 | Very high | 50 Ų | 50 | 69 Ų | 69 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -23.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P77 Q82 F83 V168 | P77-A79 VanDerWaalsContact C-N 3.25Å; P77-A79 PolarHBondContact O-N 3.36Å; P77-A79 VanDerWaalsContact O-N 3.15Å; A79-Q82 WeakPolarHBondContact O-CG 3.48Å; A79-Q82 PolarHBondContact O-NE2 3.47Å; A79-F83 WeakPolarHBondContact O-CE2 3.26Å; A79-V168 HydrophobicContact CB-CG2 4.17Å |
| 80 | I | 96.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 70.4 Ų | 70.4 | 30% | 0.297 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -96.4 | -39.6 | 171.7 | -57.8 | 176.7 | 0 | 0 | 0 | 109.8 | V76 P77 P78 Q82 F83 | V76-I80 HydrophobicContact CG1-CB 3.84Å; V76-I80 HydrophobicContact CG1-CG2 3.86Å; P77-I80 PolarHBondContact O-N 3.2Å; P78-I80 PolarHBondContact O-N 3.2Å; P78-I80 VanDerWaalsContact O-N 3.17Å; I80-Q82 PolarHBondContact O-N 3.2Å; I80-F83 PolarHBondContact O-N 3.07Å; I80-F83 VanDerWaalsContact O-N 3.1Å |
| 81 | N | 96.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.4 | -32.7 | -177.9 | -169.9 | 40.4 | 0 | 0 | 0 | 113.4 | V76 P77 P78 F83 T84 H236 G238 | V76-N81 HydrophobicContact CG1-CB 4.24Å; P77-N81 PolarHBondContact O-N 2.76Å; P78-N81 PolarHBondContact O-N 3.5Å; P78-N81 VanDerWaalsContact O-N 3.12Å; N81-F83 PolarHBondContact O-N 3.17Å; N81-F83 VanDerWaalsContact O-N 3.12Å; N81-T84 WeakPolarHBondContact O-CB 3.49Å; N81-T84 WeakPolarHBondContact O-CG2 3.37Å; N81-T84 PolarHBondContact O-N 3.26Å; N81-T84 PolarHBondContact O-OG1 3.09Å; N81-T84 PolarHBondContact OD1-OG1 2.99Å; N81-H236 PolarHBondContact ND2-CD2 3.4Å; N81-H236 PolarHBondContact ND2-O 3.41Å; N81-G238 VanDerWaalsContact ND2-CA 3.35Å; N81-G238 WeakPolarHBondContact ND2-CA 3.22Å; N81-G238 PolarHBondContact ND2-N 2.88Å; N81-G238 VanDerWaalsContact OD1-CA 3.29Å; N81-G238 WeakPolarHBondContact OD1-CA 3.03Å |
| 82 | Q | 96.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -52.6 | -32.8 | 175.4 | 65.3 | -176.2 | -27.8 | 0 | 0 | 113 | P78 A79 I80 T84 Q85 P171 I183 I233 | P78-Q82 PolarHBondContact O-N 2.95Å; A79-Q82 WeakPolarHBondContact O-CG 3.48Å; A79-Q82 PolarHBondContact O-NE2 3.47Å; I80-Q82 PolarHBondContact O-N 3.2Å; Q82-T84 PolarHBondContact O-N 3.28Å; Q82-Q85 PolarHBondContact O-N 3.4Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; Q82-P171 VanDerWaalsContact OE1-CB 3.25Å; Q82-I183 HydrophobicContact CB-CD1 4.44Å; Q82-I183 HydrophobicContact CG-CD1 4.4Å; Q82-I183 WeakPolarHBondContact O-CD1 3.46Å; Q82-I233 HydrophobicContact CB-CG2 3.49Å; Q82-I233 VanDerWaalsContact CB-CG2 3.49Å |
| 83 | F | 96.9 | Very high | 96.7 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -72.4 | -14.2 | 177.5 | -63.6 | -80.8 | 0 | 0 | 0 | 113.9 | A79 I80 N81 Q85 I157 H159 I164 V167 P171 I183 | A79-F83 WeakPolarHBondContact O-CE2 3.26Å; I80-F83 PolarHBondContact O-N 3.07Å; I80-F83 VanDerWaalsContact O-N 3.1Å; N81-F83 PolarHBondContact O-N 3.17Å; N81-F83 VanDerWaalsContact O-N 3.12Å; F83-Q85 VanDerWaalsContact C-N 3.3Å; F83-I157 HydrophobicContact CE1-CG2 3.94Å; F83-H159 WeakPolarHBondContact O-CB 3.37Å; F83-I164 HydrophobicContact CD2-CD1 4.05Å; F83-I164 HydrophobicContact CE2-CD1 4.36Å; F83-I164 HydrophobicContact CG-CD1 4.22Å; F83-V167 HydrophobicContact CE1-CB 4.36Å; F83-V167 HydrophobicContact CE1-CG2 3.86Å; F83-V167 HydrophobicContact CZ-CB 4.35Å; F83-V167 HydrophobicContact CZ-CG2 3.93Å; F83-V167 WeakPolarHBondContact CZ-O 3.15Å; F83-P171 HydrophobicContact CE1-CG 4.43Å; F83-P171 HydrophobicContact CZ-CG 3.93Å; F83-I183 HydrophobicContact CD1-CD1 3.88Å; F83-I183 HydrophobicContact CD1-CG1 4.35Å; F83-I183 HydrophobicContact CD1-CG2 4.07Å; F83-I183 HydrophobicContact CE1-CD1 4.08Å; F83-I183 HydrophobicContact CE1-CG1 4.44Å; F83-I183 HydrophobicContact CG-CD1 4.39Å |
| 84 | T | 94.9 | Very high | 96.7 | Very high | 93 Ų | 93 | 59.9 Ų | 59.9 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -73.5 | -26.3 | 170.2 | 73.5 | 0 | 0 | 0 | 0 | 112.1 | N81 Q82 A86 | N81-T84 WeakPolarHBondContact O-CB 3.49Å; N81-T84 WeakPolarHBondContact O-CG2 3.37Å; N81-T84 PolarHBondContact O-N 3.26Å; N81-T84 PolarHBondContact O-OG1 3.09Å; N81-T84 PolarHBondContact OD1-OG1 2.99Å; Q82-T84 PolarHBondContact O-N 3.28Å; T84-A86 PolarHBondContact O-N 2.89Å |
| 85 | Q | 93.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -91.4 | 88.4 | 179.6 | -57.1 | -175.8 | 28.9 | 0 | 0 | 109.3 | Q82 F83 Y226 | Q82-Q85 PolarHBondContact O-N 3.4Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; F83-Q85 VanDerWaalsContact C-N 3.3Å; Q85-Y226 PolarHBondContact O-OH 3.18Å |
| 86 | A | 96 | Very high | 96.8 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | trans | -107 | 153.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | T84 H159 I183 K185 Y226 | T84-A86 PolarHBondContact O-N 2.89Å; A86-H159 HydrophobicContact CB-CB 4.5Å; A86-I183 CarbonylContact C-O 3.49Å; A86-I183 WeakPolarHBondContact CA-O 3.25Å; A86-I183 HydrophobicContact CB-CG2 4.2Å; A86-K185 HydrophobicContact CB-CD 4.38Å; A86-K185 HydrophobicContact CB-CG 3.57Å; A86-Y226 VanDerWaalsContact C-OH 3.28Å | ||
| 87 | L | 96.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | trans | -53.2 | 143.6 | -173.8 | -170.8 | 67.9 | 0 | 0 | 0 | 111.5 | T91 A92 L95 C182 I183 V184 I222 Y226 | L87-T91 HydrophobicContact CD1-CG2 4.02Å; L87-T91 HydrophobicContact CD2-CG2 4.08Å; L87-T91 HydrophobicContact CG-CG2 4.34Å; L87-A92 HydrophobicContact CD2-CB 4.11Å; L87-A92 HydrophobicContact CG-CB 4.4Å; L87-L95 HydrophobicContact CD2-CD1 4.46Å; L87-C182 HydrophobicContact CD2-CB 4.39Å; L87-I183 WeakPolarHBondContact CB-O 3.3Å; L87-I183 PolarHBondContact N-O 3.16Å; L87-V184 HydrophobicContact CB-CG2 4.32Å; L87-V184 HydrophobicContact CD2-CG2 4.27Å; L87-I222 HydrophobicContact CD1-CG1 4.29Å; L87-Y226 WeakPolarHBondContact CA-OH 3.28Å; L87-Y226 HydrophobicContact CD1-CE2 4Å; L87-Y226 PolarHBondContact N-OH 2.92Å | ||
| 88 | D | 96.5 | Very high | 96.8 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | trans | -61.6 | 162.2 | 179.2 | 74.2 | -80.4 | 0 | 0 | 0 | 111.8 | Q90 T91 A92 | D88-Q90 VanDerWaalsContact C-N 3.32Å; D88-Q90 PolarHBondContact O-N 3.49Å; D88-Q90 WeakPolarHBondContact OD2-CA 3.29Å; D88-Q90 WeakPolarHBondContact OD2-CB 3.42Å; D88-Q90 PolarHBondContact OD2-N 3.3Å; D88-T91 VanDerWaalsContact CG-OG1 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.28Å; D88-T91 PolarHBondContact OD1-OG1 3.47Å; D88-T91 PolarHBondContact OD2-N 2.92Å; D88-T91 PolarHBondContact OD2-OG1 3.38Å; D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.98Å | ||
| 89 | R | 96.5 | Very high | 96.8 | Very high | 193 Ų | 193 | 54 Ų | 54 | 73% | 0.728 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | -172.7 | -172.3 | -176.4 | 70 | 110.5 | -1 | 112 | T93 | R89-T93 WeakPolarHBondContact O-CB 3.42Å; R89-T93 PolarHBondContact O-N 3.33Å; R89-T93 PolarHBondContact O-OG1 3.24Å |
| 90 | Q | 96.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 56.8 Ų | 56.8 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.7 | -55.5 | -174 | -67.7 | 84.1 | -48 | 0 | 0 | 109.7 | D88 A92 T93 Q94 | D88-Q90 VanDerWaalsContact C-N 3.32Å; D88-Q90 PolarHBondContact O-N 3.49Å; D88-Q90 WeakPolarHBondContact OD2-CA 3.29Å; D88-Q90 WeakPolarHBondContact OD2-CB 3.42Å; D88-Q90 PolarHBondContact OD2-N 3.3Å; Q90-A92 VanDerWaalsContact C-N 3.33Å; Q90-A92 PolarHBondContact O-N 3.47Å; Q90-T93 WeakPolarHBondContact O-CB 3.48Å; Q90-T93 PolarHBondContact O-N 3.12Å; Q90-Q94 PolarHBondContact O-N 2.73Å |
| 91 | T | 97.2 | Very high | 96.8 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.3 | -45.1 | 0 | 0 | 0 | 0 | 111 | L87 D88 T93 Q94 L95 L218 | L87-T91 HydrophobicContact CD1-CG2 4.02Å; L87-T91 HydrophobicContact CD2-CG2 4.08Å; L87-T91 HydrophobicContact CG-CG2 4.34Å; D88-T91 VanDerWaalsContact CG-OG1 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.28Å; D88-T91 PolarHBondContact OD1-OG1 3.47Å; D88-T91 PolarHBondContact OD2-N 2.92Å; D88-T91 PolarHBondContact OD2-OG1 3.38Å; T91-T93 VanDerWaalsContact C-N 3.3Å; T91-T93 PolarHBondContact O-N 2.87Å; T91-Q94 PolarHBondContact O-N 3.21Å; T91-L95 WeakPolarHBondContact O-CB 3.48Å; T91-L95 PolarHBondContact O-N 2.88Å; T91-L218 HydrophobicContact CG2-CD2 3.74Å |
| 92 | A | 97.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L87 D88 Q90 L95 F96 | L87-A92 HydrophobicContact CD2-CB 4.11Å; L87-A92 HydrophobicContact CG-CB 4.4Å; D88-A92 WeakPolarHBondContact O-CB 3.4Å; D88-A92 PolarHBondContact O-N 2.98Å; Q90-A92 VanDerWaalsContact C-N 3.33Å; Q90-A92 PolarHBondContact O-N 3.47Å; A92-L95 PolarHBondContact O-N 3.48Å; A92-F96 WeakPolarHBondContact O-CD2 3.47Å; A92-F96 PolarHBondContact O-N 3.39Å |
| 93 | T | 97.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | R89 Q90 T91 F96 K97 | R89-T93 WeakPolarHBondContact O-CB 3.42Å; R89-T93 PolarHBondContact O-N 3.33Å; R89-T93 PolarHBondContact O-OG1 3.24Å; Q90-T93 WeakPolarHBondContact O-CB 3.48Å; Q90-T93 PolarHBondContact O-N 3.12Å; T91-T93 VanDerWaalsContact C-N 3.3Å; T91-T93 PolarHBondContact O-N 2.87Å; T93-F96 PolarHBondContact O-N 2.95Å; T93-K97 WeakPolarHBondContact O-CB 3.35Å; T93-K97 PolarHBondContact O-N 2.77Å |
| 94 | Q | 97.7 | Very high | 96.8 | Very high | 119 Ų | 119 | 64 Ų | 64 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 174.1 | -67.1 | 175.3 | -0.8 | 0 | 0 | 111.5 | Q90 T91 F96 K97 L98 L218 | Q90-Q94 PolarHBondContact O-N 2.73Å; T91-Q94 PolarHBondContact O-N 3.21Å; Q94-F96 PolarHBondContact O-N 3.02Å; Q94-K97 PolarHBondContact O-N 2.97Å; Q94-L98 PolarHBondContact O-N 3.01Å; Q94-L218 HydrophobicContact CB-CD2 3.95Å |
| 95 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 175.8 | 178.4 | 144.3 | 0 | 0 | 0 | 112.1 | L87 T91 A92 L98 A99 L154 V156 F202 L218 I222 | L87-L95 HydrophobicContact CD2-CD1 4.46Å; T91-L95 WeakPolarHBondContact O-CB 3.48Å; T91-L95 PolarHBondContact O-N 2.88Å; A92-L95 PolarHBondContact O-N 3.48Å; L95-L98 PolarHBondContact O-N 2.82Å; L95-A99 VanDerWaalsContact O-CB 3.22Å; L95-A99 WeakPolarHBondContact O-CB 3.22Å; L95-A99 PolarHBondContact O-N 3.18Å; L95-L154 HydrophobicContact CD1-CD2 4.09Å; L95-V156 HydrophobicContact CD1-CG2 3.97Å; L95-V156 HydrophobicContact CD2-CG1 4.29Å; L95-V156 HydrophobicContact CD2-CG2 4.24Å; L95-F202 HydrophobicContact CD2-CZ 4.23Å; L95-L218 HydrophobicContact CB-CD1 4.31Å; L95-L218 HydrophobicContact CB-CD2 4.24Å; L95-I222 HydrophobicContact CD1-CD1 3.75Å |
| 96 | F | 97.6 | Very high | 96.9 | Very high | 29 Ų | 29 | 61 Ų | 61 | 13% | 0.127 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.4 | -33.6 | 176.4 | -82.9 | -68.8 | 0 | 0 | 0 | 112.9 | A92 T93 Q94 A99 H100 V184 R189 L190 L193 | A92-F96 WeakPolarHBondContact O-CD2 3.47Å; A92-F96 PolarHBondContact O-N 3.39Å; T93-F96 PolarHBondContact O-N 2.95Å; Q94-F96 PolarHBondContact O-N 3.02Å; F96-A99 PolarHBondContact O-N 3.13Å; F96-H100 WeakPolarHBondContact O-CB 3.27Å; F96-H100 PolarHBondContact O-N 3.11Å; F96-V184 HydrophobicContact CE2-CG1 3.55Å; F96-V184 HydrophobicContact CZ-CG1 3.81Å; F96-R189 VanDerWaalsContact CD2-NH2 3.25Å; F96-R189 HydrophobicContact CE1-CB 4.19Å; F96-R189 HydrophobicContact CZ-CB 3.8Å; F96-L190 HydrophobicContact CE1-CD2 3.89Å; F96-L190 HydrophobicContact CZ-CD2 3.63Å; F96-L193 HydrophobicContact CD1-CD2 4.43Å |
| 97 | K | 97.7 | Very high | 96.9 | Very high | 166 Ų | 166 | 69.5 Ų | 69.5 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 174.4 | -175.2 | 178.7 | 179.8 | -179.4 | 0 | 111.1 | T93 Q94 | T93-K97 WeakPolarHBondContact O-CB 3.35Å; T93-K97 PolarHBondContact O-N 2.77Å; Q94-K97 PolarHBondContact O-N 2.97Å |
| 98 | L | 97.6 | Very high | 96.9 | Very high | 9 Ų | 9 | 76.2 Ų | 76.2 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.4 | -51.6 | 173.3 | 177.2 | 62 | 0 | 0 | 0 | 110.9 | Q94 L95 H100 K101 Y102 F204 D211 L215 L218 | Q94-L98 PolarHBondContact O-N 3.01Å; L95-L98 PolarHBondContact O-N 2.82Å; L98-H100 PolarHBondContact O-N 3.44Å; L98-H100 VanDerWaalsContact O-N 3.15Å; L98-K101 WeakPolarHBondContact O-CB 3.41Å; L98-K101 PolarHBondContact O-N 2.89Å; L98-Y102 HydrophobicContact CD1-CD2 4.28Å; L98-Y102 HydrophobicContact CD1-CE2 3.75Å; L98-Y102 WeakPolarHBondContact O-CD2 3.38Å; L98-F204 HydrophobicContact CD2-CE1 4.22Å; L98-F204 HydrophobicContact CD2-CZ 4.13Å; L98-F204 HydrophobicContact CG-CE1 4.07Å; L98-F204 HydrophobicContact CG-CZ 4.08Å; L98-D211 HydrophobicContact CD1-CB 3.78Å; L98-L215 HydrophobicContact CD2-CB 3.99Å; L98-L215 HydrophobicContact CD2-CD1 3.97Å; L98-L218 HydrophobicContact CB-CD1 4.31Å; L98-L218 HydrophobicContact CD2-CD1 3.76Å |
| 99 | A | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -28 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L95 F96 K101 Y102 L136 L193 F202 F204 | L95-A99 VanDerWaalsContact O-CB 3.22Å; L95-A99 WeakPolarHBondContact O-CB 3.22Å; L95-A99 PolarHBondContact O-N 3.18Å; F96-A99 PolarHBondContact O-N 3.13Å; A99-K101 PolarHBondContact O-N 3.02Å; A99-Y102 PolarHBondContact O-N 3Å; A99-Y102 VanDerWaalsContact O-N 3.12Å; A99-L136 HydrophobicContact CB-CD1 4.02Å; A99-L136 WeakPolarHBondContact O-CD1 3.15Å; A99-L193 HydrophobicContact CB-CD1 4.34Å; A99-L193 HydrophobicContact CB-CD2 3.72Å; A99-F202 HydrophobicContact CB-CE2 4.34Å; A99-F202 HydrophobicContact CB-CZ 3.99Å; A99-F204 HydrophobicContact CB-CE1 4.46Å; A99-F204 HydrophobicContact CB-CE2 4.4Å; A99-F204 HydrophobicContact CB-CZ 3.68Å |
| 100 | H | 97 | Very high | 96.7 | Very high | 110 Ų | 110 | 73.4 Ų | 73.4 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -27.6 | 174.7 | -167.9 | -80.8 | 0 | 0 | 0 | 113.5 | F96 L98 Y102 R103 L193 | F96-H100 WeakPolarHBondContact O-CB 3.27Å; F96-H100 PolarHBondContact O-N 3.11Å; L98-H100 PolarHBondContact O-N 3.44Å; L98-H100 VanDerWaalsContact O-N 3.15Å; H100-Y102 VanDerWaalsContact C-N 3.34Å; H100-R103 PolarHBondContact NE2-NH1 3.28Å; H100-R103 VanDerWaalsContact O-CD 3.3Å; H100-R103 WeakPolarHBondContact O-CD 3.14Å; H100-R103 VanDerWaalsContact O-CG 3.29Å; H100-R103 WeakPolarHBondContact O-CG 3.43Å; H100-L193 HydrophobicContact CB-CD1 4.45Å |
| 101 | K | 97.1 | Very high | 96.8 | Very high | 131 Ų | 131 | 74.7 Ų | 74.7 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.9 | -30.9 | 173.7 | -62.8 | -176.3 | 172.4 | -170.5 | 0 | 112.8 | L98 A99 D211 | L98-K101 WeakPolarHBondContact O-CB 3.41Å; L98-K101 PolarHBondContact O-N 2.89Å; A99-K101 PolarHBondContact O-N 3.02Å; K101-D211 VanDerWaalsContact CD-OD2 3.22Å; K101-D211 WeakPolarHBondContact CD-OD2 3.47Å; K101-D211 IonicContact NZ-OD1 3.58Å; K101-D211 PolarHBondContact NZ-OD1 3Å; K101-D211 IonicContact NZ-OD2 3.96Å; K101-D211 PolarHBondContact NZ-OD2 3Å |
| 102 | Y | 97.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 81.1 Ų | 81.1 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 22.1 | -171 | -66.3 | -82 | 0 | 0 | 0 | 113.5 | L98 A99 H100 P134 V135 L136 F204 V207 N208 D211 | L98-Y102 HydrophobicContact CD1-CD2 4.28Å; L98-Y102 HydrophobicContact CD1-CE2 3.75Å; L98-Y102 WeakPolarHBondContact O-CD2 3.38Å; A99-Y102 PolarHBondContact O-N 3Å; A99-Y102 VanDerWaalsContact O-N 3.12Å; H100-Y102 VanDerWaalsContact C-N 3.34Å; Y102-P134 HydrophobicContact CD1-CB 3.84Å; Y102-P134 HydrophobicContact CD1-CG 4.03Å; Y102-P134 HydrophobicContact CE1-CB 3.77Å; Y102-P134 HydrophobicContact CE1-CG 3.64Å; Y102-V135 WeakPolarHBondContact O-CA 3.32Å; Y102-L136 WeakPolarHBondContact O-CG 3.28Å; Y102-L136 PolarHBondContact O-N 2.81Å; Y102-F204 HydrophobicContact CD2-CE1 4.06Å; Y102-F204 HydrophobicContact CG-CE1 4.45Å; Y102-V207 HydrophobicContact CD2-CG1 4.39Å; Y102-V207 HydrophobicContact CE1-CB 4.08Å; Y102-V207 HydrophobicContact CE1-CG1 4.09Å; Y102-V207 HydrophobicContact CE2-CB 4.35Å; Y102-V207 HydrophobicContact CE2-CG1 3.98Å; Y102-N208 WeakPolarHBondContact OH-CB 3.35Å; Y102-N208 PolarHBondContact OH-N 3.32Å; Y102-D211 HydrophobicContact CE2-CB 4.23Å; Y102-D211 VanDerWaalsContact CE2-OD2 3.3Å; Y102-D211 WeakPolarHBondContact CE2-OD2 3.13Å; Y102-D211 WeakPolarHBondContact OH-CB 3.47Å; Y102-D211 PolarHBondContact OH-OD2 3.4Å |
| 103 | R | 96.1 | Very high | 96.5 | Very high | 70 Ų | 70 | 86.5 Ų | 86.5 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 141.2 | -176.9 | -67.9 | 173.7 | 69.8 | -174.2 | -5.1 | 111.2 | H100 R192 L193 H195 | H100-R103 PolarHBondContact NE2-NH1 3.28Å; H100-R103 VanDerWaalsContact O-CD 3.3Å; H100-R103 WeakPolarHBondContact O-CD 3.14Å; H100-R103 VanDerWaalsContact O-CG 3.29Å; H100-R103 WeakPolarHBondContact O-CG 3.43Å; R103-R192 PolarHBondContact NH2-O 3.29Å; R103-L193 HydrophobicContact CG-CD1 3.67Å; R103-L193 HydrophobicContact CG-CG 4.17Å; R103-L193 WeakPolarHBondContact CG-O 3.34Å; R103-L193 PolarHBondContact NE-O 3.05Å; R103-H195 PolarHBondContact NH2-CE1 2.72Å; R103-H195 PolarHBondContact NH2-NE2 3.11Å |
| 104 | P | 95.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 87.3 Ų | 87.3 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 148.7 | 173.1 | 31.2 | -34.8 | 0 | 0 | 0 | 110.6 | V194 H195 | P104-V194 HydrophobicContact CG-CB 4.06Å; P104-V194 HydrophobicContact CG-CG1 4.31Å; P104-H195 PolarHBondContact O-CD2 3.22Å; P104-H195 PolarHBondContact O-NE2 3.34Å |
| 105 | E | 94.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 85.6 Ų | 85.6 | 34% | 0.341 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 144.7 | -179.6 | 64.9 | -174.3 | 177.9 | 0 | 0 | 114.1 | E109 K110 R113 | E105-E109 WeakPolarHBondContact CA-OE2 3.48Å; E105-E109 HydrophobicContact CB-CB 4.26Å; E105-K110 HydrophobicContact CG-CB 4.11Å; E105-K110 WeakPolarHBondContact OE1-CD 3.48Å; E105-K110 WeakPolarHBondContact OE1-CG 3.36Å; E105-R113 VanDerWaalsContact CD-NH2 3.33Å; E105-R113 IonicContact OE1-CZ 3Å; E105-R113 IonicContact OE1-NH1 2.93Å; E105-R113 IonicContact OE1-NH2 3.15Å; E105-R113 PolarHBondContact OE1-NH2 3.5Å; E105-R113 IonicContact OE2-CZ 2.67Å; E105-R113 IonicContact OE2-NE 2.82Å; E105-R113 IonicContact OE2-NH1 3.27Å; E105-R113 PolarHBondContact OE2-NH1 2.91Å; E105-R113 IonicContact OE2-NH2 3.47Å; E105-R113 PolarHBondContact OE2-NH2 2.85Å |
| 106 | T | 96.2 | Very high | 95.9 | Very high | 26 Ų | 26 | 87.4 Ų | 87.4 | 16% | 0.16 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 162.8 | 167.4 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | Q108 E109 K110 H195 | T106-Q108 PolarHBondContact O-N 3.06Å; T106-Q108 PolarHBondContact OG1-N 2.91Å; T106-E109 WeakPolarHBondContact CB-OE1 3.48Å; T106-E109 WeakPolarHBondContact CG2-OE1 3.36Å; T106-E109 PolarHBondContact N-OE2 3.47Å; T106-E109 PolarHBondContact O-N 2.68Å; T106-E109 WeakPolarHBondContact OG1-CG 3.33Å; T106-E109 PolarHBondContact OG1-N 3.34Å; T106-E109 VanDerWaalsContact OG1-N 3.07Å; T106-E109 PolarHBondContact OG1-OE1 3.15Å; T106-K110 WeakPolarHBondContact O-CB 3.26Å; T106-K110 PolarHBondContact O-N 3.45Å; T106-H195 WeakPolarHBondContact CG2-CE1 3.33Å; T106-H195 WeakPolarHBondContact CG2-ND1 3.47Å |
| 107 | K | 95.8 | Very high | 95.6 | Very high | 199 Ų | 199 | 90.4 Ų | 90.4 | 87% | 0.865 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57 | -33.6 | 171.3 | -67.1 | -171.1 | 178.2 | -173.8 | 0 | 112.3 | K111 | K107-K111 PolarHBondContact O-N 2.87Å |
| 108 | Q | 96.5 | Very high | 95.2 | Very high | 153 Ų | 153 | 85.3 Ų | 85.3 | 72% | 0.715 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.5 | -46.4 | 179.8 | -68.3 | 177.1 | -12.9 | 0 | 0 | 111.6 | T106 K110 K111 K112 | T106-Q108 PolarHBondContact O-N 3.06Å; T106-Q108 PolarHBondContact OG1-N 2.91Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.86Å; Q108-K111 PolarHBondContact O-N 2.94Å; Q108-K112 WeakPolarHBondContact O-CG 3.3Å; Q108-K112 PolarHBondContact O-N 3.49Å |
| 109 | E | 95.7 | Very high | 95 | Very high | 98 Ų | 98 | 90.7 Ų | 90.7 | 46% | 0.458 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 171.8 | -74 | 140.9 | -128.6 | 0 | 0 | 111.5 | E105 T106 K111 K112 R113 | E105-E109 WeakPolarHBondContact CA-OE2 3.48Å; E105-E109 HydrophobicContact CB-CB 4.26Å; T106-E109 WeakPolarHBondContact CB-OE1 3.48Å; T106-E109 WeakPolarHBondContact CG2-OE1 3.36Å; T106-E109 PolarHBondContact N-OE2 3.47Å; T106-E109 PolarHBondContact O-N 2.68Å; T106-E109 WeakPolarHBondContact OG1-CG 3.33Å; T106-E109 PolarHBondContact OG1-N 3.34Å; T106-E109 VanDerWaalsContact OG1-N 3.07Å; T106-E109 PolarHBondContact OG1-OE1 3.15Å; E109-K111 VanDerWaalsContact C-N 3.34Å; E109-K111 PolarHBondContact O-N 3.22Å; E109-K112 PolarHBondContact O-N 3.09Å; E109-R113 PolarHBondContact O-N 2.91Å |
| 110 | K | 94.9 | Very high | 94.7 | Very high | 100 Ų | 100 | 96 Ų | 96 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 175.5 | -172.9 | 173.1 | -172.3 | -173.6 | 0 | 111.7 | E105 T106 Q108 R113 L114 | E105-K110 HydrophobicContact CG-CB 4.11Å; E105-K110 WeakPolarHBondContact OE1-CD 3.48Å; E105-K110 WeakPolarHBondContact OE1-CG 3.36Å; T106-K110 WeakPolarHBondContact O-CB 3.26Å; T106-K110 PolarHBondContact O-N 3.45Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.86Å; K110-R113 PolarHBondContact O-N 2.99Å; K110-L114 HydrophobicContact CG-CD1 4.06Å; K110-L114 WeakPolarHBondContact O-CB 3.38Å; K110-L114 VanDerWaalsContact O-CG 3.29Å; K110-L114 WeakPolarHBondContact O-CG 3.08Å; K110-L114 PolarHBondContact O-N 2.61Å |
| 111 | K | 97 | Very high | 94.4 | Very high | 144 Ų | 144 | 96.8 Ų | 96.8 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.5 | -49 | 175.5 | -170.7 | -175.8 | -179.2 | -174.3 | 0 | 110.6 | K107 Q108 E109 R113 L114 L115 | K107-K111 PolarHBondContact O-N 2.87Å; Q108-K111 PolarHBondContact O-N 2.94Å; E109-K111 VanDerWaalsContact C-N 3.34Å; E109-K111 PolarHBondContact O-N 3.22Å; K111-R113 PolarHBondContact O-N 3.41Å; K111-L114 PolarHBondContact O-N 2.82Å; K111-L115 HydrophobicContact CG-CD1 4.02Å; K111-L115 HydrophobicContact CG-CG 4.45Å; K111-L115 WeakPolarHBondContact O-CG 3.18Å; K111-L115 PolarHBondContact O-N 3.31Å |
| 112 | K | 96.5 | Very high | 94.1 | Very high | 156 Ų | 156 | 94.9 Ų | 94.9 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.2 | -46 | 177.7 | -72.6 | -178.1 | 170.5 | -173.5 | 0 | 112.4 | Q108 E109 L114 L115 A116 | Q108-K112 WeakPolarHBondContact O-CG 3.3Å; Q108-K112 PolarHBondContact O-N 3.49Å; E109-K112 PolarHBondContact O-N 3.09Å; K112-L114 PolarHBondContact O-N 3.38Å; K112-L115 PolarHBondContact O-N 3.22Å; K112-A116 WeakPolarHBondContact O-CB 3.45Å; K112-A116 PolarHBondContact O-N 3.29Å |
| 113 | R | 93 | Very high | 93.8 | Very high | 117 Ų | 117 | 98.1 Ų | 98.1 | 44% | 0.442 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 177.1 | -172 | -169.6 | 65.6 | -141.7 | -20.7 | 112.2 | E105 E109 K110 K111 R117 | E105-R113 VanDerWaalsContact CD-NH2 3.33Å; E105-R113 IonicContact OE1-CZ 3Å; E105-R113 IonicContact OE1-NH1 2.93Å; E105-R113 IonicContact OE1-NH2 3.15Å; E105-R113 PolarHBondContact OE1-NH2 3.5Å; E105-R113 IonicContact OE2-CZ 2.67Å; E105-R113 IonicContact OE2-NE 2.82Å; E105-R113 IonicContact OE2-NH1 3.27Å; E105-R113 PolarHBondContact OE2-NH1 2.91Å; E105-R113 IonicContact OE2-NH2 3.47Å; E105-R113 PolarHBondContact OE2-NH2 2.85Å; E109-R113 PolarHBondContact O-N 2.91Å; K110-R113 PolarHBondContact O-N 2.99Å; K111-R113 PolarHBondContact O-N 3.41Å; R113-R117 WeakPolarHBondContact O-CB 3.43Å; R113-R117 PolarHBondContact O-N 3.39Å |
| 114 | L | 92.9 | Very high | 93.4 | Very high | 93 Ų | 93 | 98.2 Ų | 98.2 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 179.3 | -70.7 | 173.4 | 0 | 0 | 0 | 111.9 | K110 K111 K112 R117 A118 | K110-L114 HydrophobicContact CG-CD1 4.06Å; K110-L114 WeakPolarHBondContact O-CB 3.38Å; K110-L114 VanDerWaalsContact O-CG 3.29Å; K110-L114 WeakPolarHBondContact O-CG 3.08Å; K110-L114 PolarHBondContact O-N 2.61Å; K111-L114 PolarHBondContact O-N 2.82Å; K112-L114 PolarHBondContact O-N 3.38Å; L114-R117 PolarHBondContact O-N 3.14Å; L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.79Å |
| 115 | L | 95.4 | Very high | 92.7 | Very high | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -53.4 | 172.2 | -73.2 | 169.1 | 0 | 0 | 0 | 111.1 | K111 K112 R117 A118 E119 | K111-L115 HydrophobicContact CG-CD1 4.02Å; K111-L115 HydrophobicContact CG-CG 4.45Å; K111-L115 WeakPolarHBondContact O-CG 3.18Å; K111-L115 PolarHBondContact O-N 3.31Å; K112-L115 PolarHBondContact O-N 3.22Å; L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 3.35Å; L115-A118 CarbonylContact O-C 3.59Å; L115-A118 WeakPolarHBondContact O-CA 3.42Å; L115-A118 WeakPolarHBondContact O-CB 3.22Å; L115-A118 PolarHBondContact O-N 3.25Å; L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.93Å |
| 116 | A | 92.1 | Very high | 92 | Very high | 38 Ų | 38 | 102.6 Ų | 102.6 | 31% | 0.314 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.6 | -36.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K112 Q120 | K112-A116 WeakPolarHBondContact O-CB 3.45Å; K112-A116 PolarHBondContact O-N 3.29Å; A116-Q120 WeakPolarHBondContact O-CB 3.4Å; A116-Q120 VanDerWaalsContact O-CG 3.24Å; A116-Q120 WeakPolarHBondContact O-CG 3.22Å; A116-Q120 PolarHBondContact O-N 2.93Å |
| 117 | R | 90.5 | Very high | 91.2 | Very high | 92 Ų | 92 | 105.3 Ų | 105.3 | 35% | 0.347 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.3 | -36.7 | 174.1 | -172.9 | 172.5 | 178.6 | 170.4 | -6.1 | 112.3 | R113 L114 L115 K121 D127 | R113-R117 WeakPolarHBondContact O-CB 3.43Å; R113-R117 PolarHBondContact O-N 3.39Å; L114-R117 PolarHBondContact O-N 3.14Å; L115-R117 VanDerWaalsContact C-N 3.27Å; L115-R117 PolarHBondContact O-N 3.35Å; R117-K121 WeakPolarHBondContact O-CB 3.3Å; R117-K121 PolarHBondContact O-N 2.8Å; R117-D127 IonicContact CZ-OD1 3.82Å; R117-D127 IonicContact NE-OD1 2.82Å; R117-D127 PolarHBondContact NE-OD1 2.91Å; R117-D127 IonicContact NH2-OD1 3.12Å; R117-D127 PolarHBondContact NH2-OD1 3.29Å; R117-D127 IonicContact NH2-OD2 3.65Å; R117-D127 PolarHBondContact NH2-OD2 2.94Å |
| 118 | A | 91.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 100.8 Ų | 100.8 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L114 L115 K121 A122 | L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.79Å; L115-A118 CarbonylContact O-C 3.59Å; L115-A118 WeakPolarHBondContact O-CA 3.42Å; L115-A118 WeakPolarHBondContact O-CB 3.22Å; L115-A118 PolarHBondContact O-N 3.25Å; A118-K121 PolarHBondContact O-N 2.97Å; A118-A122 WeakPolarHBondContact O-CB 3.32Å; A118-A122 PolarHBondContact O-N 3.11Å |
| 119 | E | 92.8 | Very high | 89.9 | Confident | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.2 | -46.3 | 174 | -71.2 | 158 | -164.2 | 0 | 0 | 111.4 | L115 K121 A122 A123 | L115-E119 WeakPolarHBondContact O-CG 3.35Å; L115-E119 PolarHBondContact O-N 2.93Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.09Å; E119-A122 PolarHBondContact O-N 3.28Å; E119-A123 WeakPolarHBondContact O-CB 3.27Å; E119-A123 PolarHBondContact O-N 2.93Å |
| 120 | Q | 90.7 | Very high | 89.3 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 52% | 0.523 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.9 | -41.6 | 174.9 | -74.9 | 173.6 | 7.2 | 0 | 0 | 112.4 | A116 A123 K125 | A116-Q120 WeakPolarHBondContact O-CB 3.4Å; A116-Q120 VanDerWaalsContact O-CG 3.24Å; A116-Q120 WeakPolarHBondContact O-CG 3.22Å; A116-Q120 PolarHBondContact O-N 2.93Å; Q120-A123 CarbonylContact O-C 3.4Å; Q120-A123 PolarHBondContact O-N 3.39Å; Q120-K125 WeakPolarHBondContact O-CB 3.4Å; Q120-K125 PolarHBondContact O-N 3.45Å; Q120-K125 VanDerWaalsContact O-N 3.12Å |
| 121 | K | 90.3 | Very high | 88.9 | Confident | 127 Ų | 127 | 104.5 Ų | 104.5 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.5 | -38.3 | 177.1 | -172.2 | 172.4 | -177.9 | 171.8 | 0 | 112.4 | R117 A118 E119 A123 G124 | R117-K121 WeakPolarHBondContact O-CB 3.3Å; R117-K121 PolarHBondContact O-N 2.8Å; A118-K121 PolarHBondContact O-N 2.97Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.09Å; K121-A123 VanDerWaalsContact C-N 3.33Å; K121-G124 PolarHBondContact O-N 3Å |
| 122 | A | 90.6 | Very high | 88.4 | Confident | 91 Ų | 91 | 105.9 Ų | 105.9 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.5 | -35.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A118 E119 G124 | A118-A122 WeakPolarHBondContact O-CB 3.32Å; A118-A122 PolarHBondContact O-N 3.11Å; E119-A122 PolarHBondContact O-N 3.28Å; A122-G124 PolarHBondContact O-N 2.87Å |
| 123 | A | 91.9 | Very high | 88.2 | Confident | 72 Ų | 72 | 102.1 Ų | 102.1 | 60% | 0.595 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 23.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E119 Q120 K121 K125 | E119-A123 WeakPolarHBondContact O-CB 3.27Å; E119-A123 PolarHBondContact O-N 2.93Å; Q120-A123 CarbonylContact O-C 3.4Å; Q120-A123 PolarHBondContact O-N 3.39Å; K121-A123 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 3.28Å; A123-K125 VanDerWaalsContact O-N 3.16Å |
| 124 | G | 87.6 | Confident | 88.3 | Confident | 72 Ų | 72 | 97.7 Ų | 97.7 | 74% | 0.742 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.3 | 1.6 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | K121 A122 G126 | K121-G124 PolarHBondContact O-N 3Å; A122-G124 PolarHBondContact O-N 2.87Å; G124-G126 PolarHBondContact O-N 3.46Å |
| 125 | K | 81.8 | Confident | 88.4 | Confident | 142 Ų | 142 | 94.7 Ų | 94.7 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | trans | -77.9 | 121.7 | 176.9 | -58 | -176.8 | 179.7 | -179.7 | 0 | 109.2 | Q120 A123 | Q120-K125 WeakPolarHBondContact O-CB 3.4Å; Q120-K125 PolarHBondContact O-N 3.45Å; Q120-K125 VanDerWaalsContact O-N 3.12Å; A123-K125 PolarHBondContact O-N 3.28Å; A123-K125 VanDerWaalsContact O-N 3.16Å | ||
| 126 | G | 78.8 | Confident | 88.5 | Confident | 59 Ų | 59 | 91 Ų | 91 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | trans | -56.5 | 151.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G124 T128 | G124-G126 PolarHBondContact O-N 3.46Å; G126-T128 VanDerWaalsContact C-N 3.32Å; G126-T128 PolarHBondContact O-N 2.97Å | ||
| 127 | D | 79.3 | Confident | 88.8 | Confident | 83 Ų | 83 | 91.6 Ų | 91.6 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | trans | -77.2 | 77.3 | -173.2 | -165.7 | 19 | 0 | 0 | 0 | 112.2 | R117 | R117-D127 IonicContact CZ-OD1 3.82Å; R117-D127 IonicContact NE-OD1 2.82Å; R117-D127 PolarHBondContact NE-OD1 2.91Å; R117-D127 IonicContact NH2-OD1 3.12Å; R117-D127 PolarHBondContact NH2-OD1 3.29Å; R117-D127 IonicContact NH2-OD2 3.65Å; R117-D127 PolarHBondContact NH2-OD2 2.94Å | ||
| 128 | T | 81.4 | Confident | 89.1 | Confident | 103 Ų | 103 | 88.5 Ų | 88.5 | 63% | 0.632 | 51% | 0.513 | S | S | * | . | trans | -72.3 | 135.7 | -176.4 | 54 | 0 | 0 | 0 | 0 | 112.5 | G126 T130 | G126-T128 VanDerWaalsContact C-N 3.32Å; G126-T128 PolarHBondContact O-N 2.97Å; T128-T130 PolarHBondContact O-N 2.75Å | ||
| 129 | P | 83 | Confident | 89.3 | Confident | 127 Ų | 127 | 86.6 Ų | 86.6 | 83% | 0.825 | 50% | 0.499 | S | S | * | . | trans | -65.7 | 96.9 | 176.7 | -24.9 | 35.8 | 0 | 0 | 0 | 113.6 | K131 | P129-K131 PolarHBondContact O-N 3.39Š| ||
| 130 | T | 84.3 | Confident | 89.4 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 60% | 0.601 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 129.3 | 175.1 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | T128 R132 | T128-T130 PolarHBondContact O-N 2.75Å; T130-R132 PolarHBondContact O-N 2.99Å |
| 131 | K | 86.8 | Confident | 89.8 | Confident | 204 Ų | 204 | 82.4 Ų | 82.4 | 89% | 0.887 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 124.7 | 174.9 | -174.5 | 176.3 | -176.8 | 175.6 | 0 | 111.1 | P129 P133 | P129-K131 PolarHBondContact O-N 3.39Å; K131-P133 WeakPolarHBondContact O-CD 3.38Å |
| 132 | R | 86.6 | Confident | 90.1 | Very high | 174 Ų | 174 | 79.9 Ų | 79.9 | 66% | 0.657 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 121.9 | -178.7 | -170 | 179.7 | -166.8 | 172.2 | 10.2 | 110.6 | T130 | T130-R132 PolarHBondContact O-N 2.99Š|
| 133 | P | 91.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 75.5 Ų | 75.5 | 49% | 0.494 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -67 | 150 | 179.3 | 26.8 | -34.4 | 0 | 0 | 0 | 111.7 | K131 V135 | K131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-V135 PolarHBondContact O-N 2.97Å |
| 134 | P | 94.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 72.9 Ų | 72.9 | 16% | 0.156 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 128.4 | 165.7 | 27.6 | -33.5 | 0 | 0 | 0 | 110.3 | Y102 Q206 N208 | Y102-P134 HydrophobicContact CD1-CB 3.84Å; Y102-P134 HydrophobicContact CD1-CG 4.03Å; Y102-P134 HydrophobicContact CE1-CB 3.77Å; Y102-P134 HydrophobicContact CE1-CG 3.64Å; P134-Q206 HydrophobicContact CB-CB 4.48Å; P134-Q206 HydrophobicContact CB-CG 3.81Å; P134-Q206 VanDerWaalsContact CB-O 3.28Å; P134-Q206 WeakPolarHBondContact CB-O 3.21Å; P134-N208 WeakPolarHBondContact CG-OD1 3.23Å |
| 135 | V | 96.2 | Very high | 91.3 | Very high | 30 Ų | 30 | 72.1 Ų | 72.1 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | trans | -142.6 | 149.2 | 178.2 | -66.1 | 0 | 0 | 0 | 0 | 109.4 | Y102 P133 | Y102-V135 WeakPolarHBondContact O-CA 3.32Å; P133-V135 PolarHBondContact O-N 2.97Å | ||
| 136 | L | 96.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | trans | -58.6 | 138.3 | 172.2 | -65.9 | 172.9 | 0 | 0 | 0 | 111 | A99 Y102 L193 F202 F204 | A99-L136 HydrophobicContact CB-CD1 4.02Å; A99-L136 WeakPolarHBondContact O-CD1 3.15Å; Y102-L136 WeakPolarHBondContact O-CG 3.28Å; Y102-L136 PolarHBondContact O-N 2.81Å; L136-L193 HydrophobicContact CD1-CD2 3.48Å; L136-L193 VanDerWaalsContact CD1-CD2 3.48Å; L136-L193 HydrophobicContact CD1-CG 3.91Å; L136-F202 HydrophobicContact CD1-CD2 4.4Å; L136-F202 HydrophobicContact CD1-CE2 4.35Å; L136-F202 HydrophobicContact CD2-CD2 3.77Å; L136-F202 HydrophobicContact CD2-CE2 3.79Å; L136-F204 HydrophobicContact CD2-CD1 3.67Å; L136-F204 HydrophobicContact CD2-CD2 4.22Å; L136-F204 HydrophobicContact CD2-CE1 3.63Å; L136-F204 HydrophobicContact CD2-CE2 4.18Å; L136-F204 HydrophobicContact CD2-CG 3.99Å; L136-F204 HydrophobicContact CD2-CZ 3.9Å | ||
| 137 | R | 97.2 | Very high | 93 | Very high | 51 Ų | 51 | 63.9 Ų | 63.9 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.4 | 173.4 | -55.4 | -57.3 | -177.2 | 176.1 | -2.5 | 108.3 | T142 L146 F202 A203 T205 | R137-T142 HydrophobicContact CB-CG2 4.29Å; R137-L146 HydrophobicContact CB-CD1 3.39Å; R137-L146 HydrophobicContact CG-CD1 3.58Å; R137-F202 CarbonylContact O-C 3.54Å; R137-F202 WeakPolarHBondContact O-CA 3.3Å; R137-F202 WeakPolarHBondContact O-CB 3.49Å; R137-A203 PolarHBondContact N-O 2.9Å; R137-A203 PolarHBondContact O-N 2.82Å; R137-T205 HydrophobicContact CB-CG2 4.41Å; R137-T205 HydrophobicContact CG-CG2 3.62Å |
| 138 | A | 96.9 | Very high | 93.9 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V194 F202 | A138-V194 HydrophobicContact CB-CB 4.33Å; A138-V194 HydrophobicContact CB-CG1 3.8Å; A138-V194 HydrophobicContact CB-CG2 4.42Å; A138-F202 HydrophobicContact CB-CB 4.07Å |
| 139 | G | 95.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 100.7 | 135 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N141 T142 V143 S201 | G139-N141 PolarHBondContact O-N 3.07Å; G139-T142 PolarHBondContact O-N 3.42Å; G139-T142 VanDerWaalsContact O-N 3.16Å; G139-V143 WeakPolarHBondContact O-CG2 3.49Å; G139-V143 PolarHBondContact O-N 2.93Å; G139-S201 PolarHBondContact N-O 2.59Å |
| 140 | V | 96.2 | Very high | 95.4 | Very high | 22 Ų | 22 | 65 Ų | 65 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -52.2 | -55.3 | -169.9 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | T142 V143 T144 L166 F169 L170 | V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.44Å; V140-V143 CarbonylContact O-C 3.57Å; V140-V143 WeakPolarHBondContact O-CA 3.39Å; V140-V143 PolarHBondContact O-N 2.89Å; V140-T144 HydrophobicContact CG2-CG2 4.03Å; V140-T144 WeakPolarHBondContact O-CG2 3.3Å; V140-T144 PolarHBondContact O-N 3.46Å; V140-T144 PolarHBondContact O-OG1 3.19Å; V140-L166 WeakPolarHBondContact CG2-O 3.46Å; V140-F169 HydrophobicContact CG2-CZ 4.11Å; V140-L170 HydrophobicContact CG2-CD1 4.36Å |
| 141 | N | 97.7 | Very high | 96 | Very high | 125 Ų | 125 | 66.5 Ų | 66.5 | 67% | 0.668 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.5 | -34.5 | -177.5 | -58.7 | 15.2 | 0 | 0 | 0 | 113.3 | G139 T144 S145 | G139-N141 PolarHBondContact O-N 3.07Å; N141-T144 WeakPolarHBondContact CA-OG1 3.44Å; N141-T144 PolarHBondContact O-OG1 2.94Å; N141-S145 PolarHBondContact O-N 3.47Å; N141-S145 PolarHBondContact O-OG 3.42Å |
| 142 | T | 97.8 | Very high | 96.5 | Very high | 73 Ų | 73 | 57.1 Ų | 57.1 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.9 | -38.1 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111 | R137 G139 V140 L146 | R137-T142 HydrophobicContact CB-CG2 4.29Å; G139-T142 PolarHBondContact O-N 3.42Å; G139-T142 VanDerWaalsContact O-N 3.16Å; V140-T142 VanDerWaalsContact C-N 3.26Å; V140-T142 PolarHBondContact O-N 3.44Å; T142-L146 HydrophobicContact CG2-CD1 4Å; T142-L146 WeakPolarHBondContact O-CB 3.36Å; T142-L146 VanDerWaalsContact O-CD1 3.26Å; T142-L146 WeakPolarHBondContact O-CD1 3.38Å; T142-L146 WeakPolarHBondContact O-CG 3.44Å; T142-L146 PolarHBondContact O-N 2.94Å |
| 143 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | G139 V140 L146 V147 V155 A203 | G139-V143 WeakPolarHBondContact O-CG2 3.49Å; G139-V143 PolarHBondContact O-N 2.93Å; V140-V143 CarbonylContact O-C 3.57Å; V140-V143 WeakPolarHBondContact O-CA 3.39Å; V140-V143 PolarHBondContact O-N 2.89Å; V143-L146 PolarHBondContact O-N 3.43Å; V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 2.97Å; V143-V155 HydrophobicContact CG1-CG1 3.77Å; V143-V155 HydrophobicContact CG1-CG2 4.26Å; V143-A203 HydrophobicContact CG1-CB 4.39Å; V143-A203 HydrophobicContact CG2-CB 4.2Å |
| 144 | T | 98.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | V140 N141 L146 V147 E148 F169 L170 L173 | V140-T144 HydrophobicContact CG2-CG2 4.03Å; V140-T144 WeakPolarHBondContact O-CG2 3.3Å; V140-T144 PolarHBondContact O-N 3.46Å; V140-T144 PolarHBondContact O-OG1 3.19Å; N141-T144 WeakPolarHBondContact CA-OG1 3.44Å; N141-T144 PolarHBondContact O-OG1 2.94Å; T144-L146 PolarHBondContact O-N 3.19Å; T144-V147 PolarHBondContact O-N 3.02Å; T144-E148 WeakPolarHBondContact O-CG 3.41Å; T144-E148 PolarHBondContact O-N 3.36Å; T144-F169 HydrophobicContact CG2-CE2 3.52Å; T144-F169 HydrophobicContact CG2-CZ 3.7Å; T144-L170 HydrophobicContact CG2-CD2 3.62Å; T144-L173 HydrophobicContact CG2-CD2 4.2Å |
| 145 | S | 98.4 | Very high | 97.5 | Very high | 56 Ų | 56 | 48 Ų | 48 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -29.3 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | N141 E148 N149 | N141-S145 PolarHBondContact O-N 3.47Å; N141-S145 PolarHBondContact O-OG 3.42Å; S145-E148 WeakPolarHBondContact CA-OE2 3.39Å; S145-N149 VanDerWaalsContact O-CB 3.28Å; S145-N149 WeakPolarHBondContact O-CB 3.38Å; S145-N149 PolarHBondContact O-N 3.26Å; S145-N149 PolarHBondContact O-ND2 3.07Å |
| 146 | L | 98.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.8 | -30.3 | 174.4 | -71.8 | 165.9 | 0 | 0 | 0 | 113.2 | R137 T142 V143 T144 K150 K151 A152 T205 | R137-L146 HydrophobicContact CB-CD1 3.39Å; R137-L146 HydrophobicContact CG-CD1 3.58Å; T142-L146 HydrophobicContact CG2-CD1 4Å; T142-L146 WeakPolarHBondContact O-CB 3.36Å; T142-L146 VanDerWaalsContact O-CD1 3.26Å; T142-L146 WeakPolarHBondContact O-CD1 3.38Å; T142-L146 WeakPolarHBondContact O-CG 3.44Å; T142-L146 PolarHBondContact O-N 2.94Å; V143-L146 PolarHBondContact O-N 3.43Å; T144-L146 PolarHBondContact O-N 3.19Å; L146-K150 PolarHBondContact O-N 3.31Å; L146-K151 HydrophobicContact CD2-CB 3.76Å; L146-K151 HydrophobicContact CD2-CD 4.5Å; L146-K151 PolarHBondContact O-N 3.43Å; L146-A152 HydrophobicContact CB-CB 4.24Å; L146-A152 PolarHBondContact O-N 3.29Å; L146-A152 VanDerWaalsContact O-N 3.11Å; L146-T205 HydrophobicContact CD1-CG2 3.7Å; L146-T205 HydrophobicContact CD2-CG2 3.86Å; L146-T205 HydrophobicContact CG-CG2 4.28Å |
| 147 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.4 | -45.4 | 174 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | V143 T144 N149 K150 A152 V155 L173 M177 V179 | V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.24Å; V143-V147 PolarHBondContact O-N 2.97Å; T144-V147 PolarHBondContact O-N 3.02Å; V147-N149 VanDerWaalsContact C-N 3.34Å; V147-N149 PolarHBondContact O-N 2.92Å; V147-K150 PolarHBondContact O-N 2.8Å; V147-A152 HydrophobicContact CG2-CB 4.14Å; V147-V155 HydrophobicContact CG2-CG2 3.55Å; V147-L173 HydrophobicContact CB-CD2 4.45Å; V147-L173 HydrophobicContact CG1-CD2 4.28Å; V147-L173 HydrophobicContact CG1-CG 3.84Å; V147-M177 HydrophobicContact CG1-CB 3.84Å; V147-M177 HydrophobicContact CG1-CG 3.93Å; V147-M177 WeakPolarHBondContact O-CB 3.46Å; V147-V179 HydrophobicContact CG1-CB 4.35Å; V147-V179 HydrophobicContact CG1-CG2 4.1Å; V147-V179 HydrophobicContact CG2-CG1 4.43Å |
| 148 | E | 98.1 | Very high | 97.7 | Very high | 94 Ų | 94 | 43.9 Ų | 43.9 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.9 | -44.9 | 175.4 | -70.9 | 157.9 | -178 | 0 | 0 | 111.5 | T144 S145 K150 L173 M177 | T144-E148 WeakPolarHBondContact O-CG 3.41Å; T144-E148 PolarHBondContact O-N 3.36Å; S145-E148 WeakPolarHBondContact CA-OE2 3.39Å; E148-K150 PolarHBondContact O-N 3.47Å; E148-L173 HydrophobicContact CG-CD1 4.22Å; E148-L173 HydrophobicContact CG-CD2 4.41Å; E148-M177 WeakPolarHBondContact O-CE 3.08Å |
| 149 | N | 97.7 | Very high | 97.7 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 6 | 176.1 | -73.3 | -80.3 | 0 | 0 | 0 | 114.1 | S145 V147 K151 | S145-N149 VanDerWaalsContact O-CB 3.28Å; S145-N149 WeakPolarHBondContact O-CB 3.38Å; S145-N149 PolarHBondContact O-N 3.26Å; S145-N149 PolarHBondContact O-ND2 3.07Å; V147-N149 VanDerWaalsContact C-N 3.34Å; V147-N149 PolarHBondContact O-N 2.92Å; N149-K151 HydrophobicContact CB-CD 3.97Å; N149-K151 HydrophobicContact CB-CG 4.18Å; N149-K151 PolarHBondContact O-N 3.09Å |
| 150 | K | 96.6 | Very high | 97.8 | Very high | 145 Ų | 145 | 47.4 Ų | 47.4 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 29.1 | -175.7 | -60.1 | -178 | 177 | 178.5 | 0 | 114.6 | L146 V147 E148 M177 | L146-K150 PolarHBondContact O-N 3.31Å; V147-K150 PolarHBondContact O-N 2.8Å; E148-K150 PolarHBondContact O-N 3.47Å; K150-M177 WeakPolarHBondContact CE-O 3.35Å; K150-M177 HydrophobicContact CG-CE 4.2Å |
| 151 | K | 97.1 | Very high | 97.9 | Very high | 128 Ų | 128 | 47 Ų | 47 | 56% | 0.557 | 24% | 0.239 | S | C | * | . | trans | -91.3 | -10 | 178.1 | -73.2 | 171.7 | -176 | 169.7 | 0 | 113.1 | L146 N149 T205 | L146-K151 HydrophobicContact CD2-CB 3.76Å; L146-K151 HydrophobicContact CD2-CD 4.5Å; L146-K151 PolarHBondContact O-N 3.43Å; N149-K151 HydrophobicContact CB-CD 3.97Å; N149-K151 HydrophobicContact CB-CG 4.18Å; N149-K151 PolarHBondContact O-N 3.09Å; K151-T205 WeakPolarHBondContact O-CA 3.37Å; K151-T205 WeakPolarHBondContact O-CB 3.46Å; K151-T205 WeakPolarHBondContact O-CG2 3.15Å | ||
| 152 | A | 97.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | trans | -86.5 | 128.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | L146 V147 V155 V179 A203 | L146-A152 HydrophobicContact CB-CB 4.24Å; L146-A152 PolarHBondContact O-N 3.29Å; L146-A152 VanDerWaalsContact O-N 3.11Å; V147-A152 HydrophobicContact CG2-CB 4.14Å; A152-V155 HydrophobicContact CB-CG2 4.04Å; A152-V179 HydrophobicContact CB-CG1 3.98Å; A152-A203 HydrophobicContact CB-CB 4.09Å | ||
| 153 | Q | 97.1 | Very high | 97.7 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -89 | -32.6 | 174.6 | -65.3 | 179.8 | -30.7 | 0 | 0 | 112 | F204 L215 | Q153-F204 PolarHBondContact N-O 2.83Å; Q153-L215 HydrophobicContact CB-CD2 4.32Å |
| 154 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 133.2 | 177.3 | 174.8 | 62.2 | 0 | 0 | 0 | 109.6 | L95 P180 A203 F204 L215 V219 I222 | L95-L154 HydrophobicContact CD1-CD2 4.09Å; L154-P180 HydrophobicContact CD1-CB 4.06Å; L154-A203 CarbonylContact O-C 3.52Å; L154-A203 VanDerWaalsContact O-CA 3.26Å; L154-A203 WeakPolarHBondContact O-CA 3.49Å; L154-F204 HydrophobicContact CB-CB 4.43Å; L154-F204 HydrophobicContact CB-CD2 4.14Å; L154-F204 HydrophobicContact CD2-CD2 4.03Å; L154-F204 HydrophobicContact CD2-CE2 4.18Å; L154-F204 HydrophobicContact CG-CD2 4.31Å; L154-F204 PolarHBondContact O-N 3.15Å; L154-L215 HydrophobicContact CB-CD1 4.3Å; L154-L215 HydrophobicContact CD2-CD1 3.91Å; L154-V219 HydrophobicContact CB-CG2 4.01Å; L154-V219 HydrophobicContact CD1-CG2 4.4Å; L154-V219 HydrophobicContact CD2-CG2 4.32Å; L154-V219 HydrophobicContact CG-CG2 4.47Å; L154-I222 HydrophobicContact CD1-CB 4.48Å; L154-I222 HydrophobicContact CD1-CD1 3.84Å; L154-I222 HydrophobicContact CD1-CG2 3.95Å; L154-I222 HydrophobicContact CD2-CD1 3.95Å |
| 155 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.6 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | V143 V147 A152 I157 V179 P180 Y181 C182 A203 | V143-V155 HydrophobicContact CG1-CG1 3.77Å; V143-V155 HydrophobicContact CG1-CG2 4.26Å; V147-V155 HydrophobicContact CG2-CG2 3.55Å; A152-V155 HydrophobicContact CB-CG2 4.04Å; V155-I157 HydrophobicContact CG1-CD1 4.47Å; V155-I157 HydrophobicContact CG1-CG1 3.95Å; V155-V179 HydrophobicContact CG2-CG1 3.78Å; V155-P180 PolarHBondContact N-O 2.86Å; V155-Y181 CarbonylContact O-C 3.46Å; V155-Y181 VanDerWaalsContact O-CA 3.3Å; V155-Y181 WeakPolarHBondContact O-CA 3.48Å; V155-C182 PolarHBondContact O-N 3.16Å; V155-A203 HydrophobicContact CG2-CB 4.24Å |
| 156 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.6 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | L95 V184 L190 S201 F202 | L95-V156 HydrophobicContact CD1-CG2 3.97Å; L95-V156 HydrophobicContact CD2-CG1 4.29Å; L95-V156 HydrophobicContact CD2-CG2 4.24Å; V156-V184 HydrophobicContact CG1-CB 4.1Å; V156-V184 HydrophobicContact CG1-CG2 3.64Å; V156-L190 HydrophobicContact CG1-CD2 3.95Å; V156-S201 CarbonylContact O-C 3.55Å; V156-S201 WeakPolarHBondContact O-CA 3.41Å; V156-S201 WeakPolarHBondContact O-CB 3.34Å; V156-F202 HydrophobicContact CB-CD1 4.27Å; V156-F202 HydrophobicContact CB-CD2 4.07Å; V156-F202 HydrophobicContact CB-CE1 4.06Å; V156-F202 HydrophobicContact CB-CE2 3.84Å; V156-F202 HydrophobicContact CB-CG 4.28Å; V156-F202 HydrophobicContact CB-CZ 3.83Å; V156-F202 HydrophobicContact CG1-CE1 4.02Å; V156-F202 HydrophobicContact CG1-CE2 4.5Å; V156-F202 HydrophobicContact CG1-CZ 4Å; V156-F202 HydrophobicContact CG2-CD2 4.02Å; V156-F202 HydrophobicContact CG2-CE1 4.43Å; V156-F202 HydrophobicContact CG2-CE2 3.45Å; V156-F202 VanDerWaalsContact CG2-CE2 3.45Å; V156-F202 HydrophobicContact CG2-CZ 3.7Å; V156-F202 PolarHBondContact N-O 3.09Å; V156-F202 PolarHBondContact O-N 3.16Å |
| 157 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137 | -174.2 | -46.5 | 170.4 | 0 | 0 | 0 | 109.2 | F83 V155 V167 L170 P171 Y181 C182 I183 V184 | F83-I157 HydrophobicContact CE1-CG2 3.94Å; V155-I157 HydrophobicContact CG1-CD1 4.47Å; V155-I157 HydrophobicContact CG1-CG1 3.95Å; I157-V167 HydrophobicContact CG2-CB 3.87Å; I157-V167 HydrophobicContact CG2-CG1 3.99Å; I157-V167 HydrophobicContact CG2-CG2 4.39Å; I157-L170 HydrophobicContact CD1-CB 3.7Å; I157-L170 HydrophobicContact CD1-CD1 4.41Å; I157-L170 HydrophobicContact CG1-CD1 4.38Å; I157-L170 HydrophobicContact CG2-CD1 4.32Å; I157-P171 HydrophobicContact CD1-CG 4.04Å; I157-Y181 HydrophobicContact CD1-CD2 4.05Å; I157-C182 PolarHBondContact N-O 3.11Å; I157-I183 CarbonylContact O-C 2.97Å; I157-I183 WeakPolarHBondContact O-CA 3.42Å; I157-V184 PolarHBondContact O-N 3.26Å |
| 158 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 142.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V161 V184 K187 L190 T200 | A158-V161 HydrophobicContact CB-CG2 3.85Å; A158-V184 WeakPolarHBondContact CA-O 3.43Å; A158-K187 HydrophobicContact CB-CB 3.62Å; A158-L190 HydrophobicContact CB-CD1 3.71Å; A158-L190 HydrophobicContact CB-CG 4.45Å; A158-T200 WeakPolarHBondContact CB-O 3.08Å; A158-T200 PolarHBondContact N-O 3.26Å |
| 159 | H | 97.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 53.6 Ų | 53.6 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -19.2 | 177.8 | 78.1 | -27.7 | 0 | 0 | 0 | 115.5 | F83 A86 I183 V184 G186 | F83-H159 WeakPolarHBondContact O-CB 3.37Å; A86-H159 HydrophobicContact CB-CB 4.5Å; H159-I183 HydrophobicContact CB-CG2 3.81Å; H159-V184 PolarHBondContact N-O 3.12Å; H159-G186 PolarHBondContact CE1-N 2.66Å; H159-G186 PolarHBondContact ND1-N 2.87Å |
| 160 | D | 96.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 30 | -165.3 | 54.1 | -48.1 | 0 | 0 | 0 | 111.8 | G186 K187 | D160-G186 WeakPolarHBondContact OD1-CA 3.39Å; D160-G186 PolarHBondContact OD1-N 3.04Å; D160-K187 VanDerWaalsContact O-CD 3.27Å; D160-K187 WeakPolarHBondContact O-CD 3.38Å; D160-K187 WeakPolarHBondContact O-CE 3.44Å; D160-K187 PolarHBondContact O-NZ 2.85Å; D160-K187 PolarHBondContact OD1-N 3.05Å; D160-K187 WeakPolarHBondContact OD2-CG 3.19Å; D160-K187 PolarHBondContact OD2-N 3.05Å; D160-K187 VanDerWaalsContact OD2-N 3.14Å |
| 161 | V | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | trans | -72.2 | 134.3 | 174.3 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | A158 P163 L166 V167 T200 | A158-V161 HydrophobicContact CB-CG2 3.85Å; V161-P163 WeakPolarHBondContact CG1-O 3.44Å; V161-L166 HydrophobicContact CG1-CB 4.32Å; V161-L166 HydrophobicContact CG1-CD1 4.35Å; V161-V167 HydrophobicContact CB-CG1 4.37Å; V161-V167 HydrophobicContact CB-CG2 3.91Å; V161-V167 HydrophobicContact CG1-CG1 4.3Å; V161-V167 HydrophobicContact CG1-CG2 4.42Å; V161-V167 HydrophobicContact CG2-CG1 3.98Å; V161-V167 HydrophobicContact CG2-CG2 4.06Å; V161-T200 HydrophobicContact CG1-CG2 3.67Å; V161-T200 HydrophobicContact CG2-CG2 4.1Å | ||
| 162 | D | 95.1 | Very high | 97.5 | Very high | 94 Ų | 94 | 37.8 Ų | 37.8 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -144.4 | 108.9 | -178.3 | -167 | -8.7 | 0 | 0 | 0 | 102.8 | R67 | R67-D162 IonicContact CZ-OD2 2.71Å; R67-D162 IonicContact NH1-OD2 3.22Å; R67-D162 PolarHBondContact NH1-OD2 3.49Å; R67-D162 IonicContact NH2-OD2 3Å; R67-D162 PolarHBondContact NH2-OD2 3.4Å |
| 163 | P | 96.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 39 Ų | 39 | 47% | 0.468 | 21% | 0.206 | S | C | . | . | S | Bend | cis | -72.5 | 145.5 | 4.7 | -14.2 | 30.7 | 0 | 0 | 0 | 114.6 | V161 E165 | V161-P163 WeakPolarHBondContact CG1-O 3.44Å; P163-E165 WeakPolarHBondContact CB-OE2 3.16Å |
| 164 | I | 96.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 35 Ų | 35 | 16% | 0.159 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.7 | -172.9 | -169.1 | 61.3 | 0 | 0 | 0 | 113.4 | F83 L166 V167 V168 | F83-I164 HydrophobicContact CD2-CD1 4.05Å; F83-I164 HydrophobicContact CE2-CD1 4.36Å; F83-I164 HydrophobicContact CG-CD1 4.22Å; I164-L166 PolarHBondContact O-N 2.84Å; I164-L166 VanDerWaalsContact O-N 3.13Å; I164-V167 HydrophobicContact CD1-CG2 3.86Å; I164-V167 WeakPolarHBondContact O-CG2 3.1Å; I164-V167 PolarHBondContact O-N 2.88Å; I164-V168 PolarHBondContact O-N 3.24Å |
| 165 | E | 96.7 | Very high | 97.5 | Very high | 123 Ų | 123 | 39.3 Ų | 39.3 | 58% | 0.575 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55.7 | -30.9 | 179.9 | -62.1 | 73.2 | -162 | 0 | 0 | 111.4 | P163 V167 | P163-E165 WeakPolarHBondContact CB-OE2 3.16Å; E165-V167 PolarHBondContact O-N 3.3Å |
| 166 | L | 97.1 | Very high | 97.4 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -20 | 176.3 | -61.5 | -179.7 | 0 | 0 | 0 | 114.2 | V140 V161 I164 | V140-L166 WeakPolarHBondContact CG2-O 3.46Å; V161-L166 HydrophobicContact CG1-CB 4.32Å; V161-L166 HydrophobicContact CG1-CD1 4.35Å; I164-L166 PolarHBondContact O-N 2.84Å; I164-L166 VanDerWaalsContact O-N 3.13Å |
| 167 | V | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -131.8 | -12.2 | -176.7 | -62.1 | 0 | 0 | 0 | 0 | 114.4 | F83 I157 V161 I164 E165 F169 L170 P171 | F83-V167 HydrophobicContact CE1-CB 4.36Å; F83-V167 HydrophobicContact CE1-CG2 3.86Å; F83-V167 HydrophobicContact CZ-CB 4.35Å; F83-V167 HydrophobicContact CZ-CG2 3.93Å; F83-V167 WeakPolarHBondContact CZ-O 3.15Å; I157-V167 HydrophobicContact CG2-CB 3.87Å; I157-V167 HydrophobicContact CG2-CG1 3.99Å; I157-V167 HydrophobicContact CG2-CG2 4.39Å; V161-V167 HydrophobicContact CB-CG1 4.37Å; V161-V167 HydrophobicContact CB-CG2 3.91Å; V161-V167 HydrophobicContact CG1-CG1 4.3Å; V161-V167 HydrophobicContact CG1-CG2 4.42Å; V161-V167 HydrophobicContact CG2-CG1 3.98Å; V161-V167 HydrophobicContact CG2-CG2 4.06Å; I164-V167 HydrophobicContact CD1-CG2 3.86Å; I164-V167 WeakPolarHBondContact O-CG2 3.1Å; I164-V167 PolarHBondContact O-N 2.88Å; E165-V167 PolarHBondContact O-N 3.3Å; V167-F169 PolarHBondContact O-N 3.15Å; V167-F169 VanDerWaalsContact O-N 3.09Å; V167-L170 HydrophobicContact CB-CD1 4.05Å; V167-L170 HydrophobicContact CG1-CD1 3.89Å; V167-L170 WeakPolarHBondContact O-CB 3.29Å; V167-L170 PolarHBondContact O-N 2.82Å; V167-P171 WeakPolarHBondContact O-CD 3.49Å |
| 168 | V | 97.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.9 | -32.7 | -175.2 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | A79 I164 | A79-V168 HydrophobicContact CB-CG2 4.17Å; I164-V168 PolarHBondContact O-N 3.24Å |
| 169 | F | 97.8 | Very high | 97.3 | Very high | 89 Ų | 89 | 53.1 Ų | 53.1 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -17.5 | -180 | 70 | -85.8 | 0 | 0 | 0 | 114.1 | V140 T144 V167 A172 L173 | V140-F169 HydrophobicContact CG2-CZ 4.11Å; T144-F169 HydrophobicContact CG2-CE2 3.52Å; T144-F169 HydrophobicContact CG2-CZ 3.7Å; V167-F169 PolarHBondContact O-N 3.15Å; V167-F169 VanDerWaalsContact O-N 3.09Å; F169-A172 PolarHBondContact O-N 2.91Å; F169-L173 HydrophobicContact CD2-CD2 4.45Å; F169-L173 HydrophobicContact CE2-CD2 4.29Å; F169-L173 PolarHBondContact O-N 2.96Å |
| 170 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | -173.6 | -78.8 | 173.4 | 0 | 0 | 0 | 113.6 | V140 T144 I157 V167 A172 L173 C174 | V140-L170 HydrophobicContact CG2-CD1 4.36Å; T144-L170 HydrophobicContact CG2-CD2 3.62Å; I157-L170 HydrophobicContact CD1-CB 3.7Å; I157-L170 HydrophobicContact CD1-CD1 4.41Å; I157-L170 HydrophobicContact CG1-CD1 4.38Å; I157-L170 HydrophobicContact CG2-CD1 4.32Å; V167-L170 HydrophobicContact CB-CD1 4.05Å; V167-L170 HydrophobicContact CG1-CD1 3.89Å; V167-L170 WeakPolarHBondContact O-CB 3.29Å; V167-L170 PolarHBondContact O-N 2.82Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.12Å; L170-L173 PolarHBondContact O-N 3.24Å; L170-C174 WeakPolarHBondContact O-CB 3.32Å; L170-C174 PolarHBondContact O-N 3.03Å; L170-C174 PolarHBondContact O-SG 3.15Å |
| 171 | P | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 176.2 | -29.7 | 39.3 | 0 | 0 | 0 | 113 | Q82 F83 I157 V167 C174 R175 Y181 Y230 | Q82-P171 VanDerWaalsContact OE1-CB 3.25Å; F83-P171 HydrophobicContact CE1-CG 4.43Å; F83-P171 HydrophobicContact CZ-CG 3.93Å; I157-P171 HydrophobicContact CD1-CG 4.04Å; V167-P171 WeakPolarHBondContact O-CD 3.49Å; P171-C174 PolarHBondContact O-N 2.94Å; P171-R175 WeakPolarHBondContact O-CB 3.34Å; P171-R175 PolarHBondContact O-N 2.82Å; P171-Y181 HydrophobicContact CB-CD2 4.15Å; P171-Y181 HydrophobicContact CB-CE1 4.48Å; P171-Y181 HydrophobicContact CB-CE2 3.6Å; P171-Y181 HydrophobicContact CG-CD2 4.36Å; P171-Y181 HydrophobicContact CG-CE2 4.01Å; P171-Y230 HydrophobicContact CB-CE2 4.46Å |
| 172 | A | 97.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F169 L170 R175 K176 Y230 | F169-A172 PolarHBondContact O-N 2.91Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.12Å; A172-R175 PolarHBondContact O-N 2.98Å; A172-K176 WeakPolarHBondContact O-CB 3.38Å; A172-K176 PolarHBondContact O-N 3.1Å; A172-Y230 WeakPolarHBondContact CA-OH 3.34Å; A172-Y230 VanDerWaalsContact CB-OH 3.24Å; A172-Y230 WeakPolarHBondContact CB-OH 3.39Å |
| 173 | L | 98.1 | Very high | 97.6 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.9 | -178.5 | 64.3 | 0 | 0 | 0 | 111.5 | T144 V147 E148 F169 L170 R175 K176 M177 | T144-L173 HydrophobicContact CG2-CD2 4.2Å; V147-L173 HydrophobicContact CB-CD2 4.45Å; V147-L173 HydrophobicContact CG1-CD2 4.28Å; V147-L173 HydrophobicContact CG1-CG 3.84Å; E148-L173 HydrophobicContact CG-CD1 4.22Å; E148-L173 HydrophobicContact CG-CD2 4.41Å; F169-L173 HydrophobicContact CD2-CD2 4.45Å; F169-L173 HydrophobicContact CE2-CD2 4.29Å; F169-L173 PolarHBondContact O-N 2.96Å; L170-L173 PolarHBondContact O-N 3.24Å; L173-R175 PolarHBondContact O-N 3.12Å; L173-K176 PolarHBondContact O-N 2.97Å; L173-M177 HydrophobicContact CD1-CG 4.14Å; L173-M177 WeakPolarHBondContact O-CG 3.38Å; L173-M177 PolarHBondContact O-N 2.99Å |
| 174 | C | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | L170 P171 M177 G178 V179 Y181 | L170-C174 WeakPolarHBondContact O-CB 3.32Å; L170-C174 PolarHBondContact O-N 3.03Å; L170-C174 PolarHBondContact O-SG 3.15Å; P171-C174 PolarHBondContact O-N 2.94Å; C174-M177 PolarHBondContact O-N 3.17Å; C174-G178 PolarHBondContact O-N 2.92Å; C174-G178 VanDerWaalsContact O-N 3.1Å; C174-V179 CarbonylContact C-O 3.58Å; C174-V179 HydrophobicContact CB-CB 4.48Å; C174-V179 PolarHBondContact O-N 3.1Å; C174-Y181 HydrophobicContact CB-CD1 3.91Å; C174-Y181 HydrophobicContact CB-CG 4.05Å |
| 175 | R | 96.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 44.1 Ų | 44.1 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.9 | -166.2 | -129.6 | -174.1 | 168.8 | -0.4 | 112.1 | P171 A172 L173 M177 G178 Y230 E231 | P171-R175 WeakPolarHBondContact O-CB 3.34Å; P171-R175 PolarHBondContact O-N 2.82Å; A172-R175 PolarHBondContact O-N 2.98Å; L173-R175 PolarHBondContact O-N 3.12Å; R175-M177 VanDerWaalsContact C-N 3.31Å; R175-M177 PolarHBondContact O-N 3.49Å; R175-G178 PolarHBondContact O-N 2.86Å; R175-Y230 HydrophobicContact CB-CD2 3.89Å; R175-Y230 HydrophobicContact CB-CE2 4.05Å; R175-Y230 HydrophobicContact CB-CG 4.36Å; R175-Y230 HydrophobicContact CG-CD1 4.37Å; R175-Y230 HydrophobicContact CG-CD2 3.92Å; R175-Y230 HydrophobicContact CG-CE2 4.44Å; R175-Y230 HydrophobicContact CG-CG 3.88Å; R175-Y230 VanDerWaalsContact CZ-CD1 3.4Å; R175-E231 IonicContact CZ-OE1 3.1Å; R175-E231 VanDerWaalsContact CZ-OE1 3.27Å; R175-E231 IonicContact NH1-OE1 2.7Å; R175-E231 PolarHBondContact NH1-OE1 3.29Å; R175-E231 IonicContact NH2-OE1 2.67Å; R175-E231 PolarHBondContact NH2-OE1 2.77Å |
| 176 | K | 97.4 | Very high | 97.6 | Very high | 177 Ų | 177 | 38.9 Ų | 38.9 | 77% | 0.77 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.3 | -37.3 | 179.1 | -174.7 | 177.6 | 179.4 | -177.8 | 0 | 112.5 | A172 L173 G178 | A172-K176 WeakPolarHBondContact O-CB 3.38Å; A172-K176 PolarHBondContact O-N 3.1Å; L173-K176 PolarHBondContact O-N 2.97Å; K176-G178 VanDerWaalsContact C-N 3.34Å |
| 177 | M | 98 | Very high | 97.6 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 23% | 0.232 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -86.5 | -1.9 | 179.9 | -58.7 | -48 | -78 | 0 | 0 | 114 | V147 E148 K150 L173 C174 R175 V179 | V147-M177 HydrophobicContact CG1-CB 3.84Å; V147-M177 HydrophobicContact CG1-CG 3.93Å; V147-M177 WeakPolarHBondContact O-CB 3.46Å; E148-M177 WeakPolarHBondContact O-CE 3.08Å; K150-M177 WeakPolarHBondContact CE-O 3.35Å; K150-M177 HydrophobicContact CG-CE 4.2Å; L173-M177 HydrophobicContact CD1-CG 4.14Å; L173-M177 WeakPolarHBondContact O-CG 3.38Å; L173-M177 PolarHBondContact O-N 2.99Å; C174-M177 PolarHBondContact O-N 3.17Å; R175-M177 VanDerWaalsContact C-N 3.31Å; R175-M177 PolarHBondContact O-N 3.49Å; M177-V179 VanDerWaalsContact C-N 3.33Å; M177-V179 HydrophobicContact CB-CG2 4.26Å |
| 178 | G | 96.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 62% | 0.619 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 15.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C174 R175 K176 | C174-G178 PolarHBondContact O-N 2.92Å; C174-G178 VanDerWaalsContact O-N 3.1Å; R175-G178 PolarHBondContact O-N 2.86Å; K176-G178 VanDerWaalsContact C-N 3.34Å |
| 179 | V | 97.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | trans | -90.2 | 126.9 | -177.5 | 180 | 0 | 0 | 0 | 0 | 110.4 | V147 A152 V155 C174 M177 N227 | V147-V179 HydrophobicContact CG1-CB 4.35Å; V147-V179 HydrophobicContact CG1-CG2 4.1Å; V147-V179 HydrophobicContact CG2-CG1 4.43Å; A152-V179 HydrophobicContact CB-CG1 3.98Å; V155-V179 HydrophobicContact CG2-CG1 3.78Å; C174-V179 CarbonylContact C-O 3.58Å; C174-V179 HydrophobicContact CB-CB 4.48Å; C174-V179 PolarHBondContact O-N 3.1Å; M177-V179 VanDerWaalsContact C-N 3.33Å; M177-V179 HydrophobicContact CB-CG2 4.26Å; V179-N227 PolarHBondContact O-ND2 3.04Å | ||
| 180 | P | 98.3 | Very high | 97.6 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -59 | 133.6 | 171.8 | -24.1 | 34.1 | 0 | 0 | 0 | 112.2 | L154 V155 V219 N227 | L154-P180 HydrophobicContact CD1-CB 4.06Å; V155-P180 PolarHBondContact N-O 2.86Å; P180-V219 HydrophobicContact CB-CG1 4.12Å; P180-V219 HydrophobicContact CG-CG1 3.66Å; P180-N227 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 181 | Y | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.4 | 176.7 | 79.6 | -79.3 | 0 | 0 | 0 | 112.3 | V155 I157 P171 C174 I183 I222 Y226 N227 | V155-Y181 CarbonylContact O-C 3.46Å; V155-Y181 VanDerWaalsContact O-CA 3.3Å; V155-Y181 WeakPolarHBondContact O-CA 3.48Å; I157-Y181 HydrophobicContact CD1-CD2 4.05Å; P171-Y181 HydrophobicContact CB-CD2 4.15Å; P171-Y181 HydrophobicContact CB-CE1 4.48Å; P171-Y181 HydrophobicContact CB-CE2 3.6Å; P171-Y181 HydrophobicContact CG-CD2 4.36Å; P171-Y181 HydrophobicContact CG-CE2 4.01Å; C174-Y181 HydrophobicContact CB-CD1 3.91Å; C174-Y181 HydrophobicContact CB-CG 4.05Å; Y181-I183 HydrophobicContact CE2-CD1 4.48Å; Y181-I183 HydrophobicContact CE2-CG1 4.4Å; Y181-I222 WeakPolarHBondContact O-CG2 3.21Å; Y181-Y226 HydrophobicContact CD2-CD1 4.39Å; Y181-Y226 AromaticContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CG 4.26Å; Y181-Y226 WeakPolarHBondContact O-CB 3.35Å; Y181-Y226 PolarHBondContact OH-O 3.19Å; Y181-N227 VanDerWaalsContact CD1-OD1 3.25Å; Y181-N227 WeakPolarHBondContact CD1-OD1 3.39Å; Y181-N227 PolarHBondContact N-OD1 3.14Å |
| 182 | C | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 153.3 | 169.5 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | L87 V155 I157 I222 Y226 | L87-C182 HydrophobicContact CD2-CB 4.39Å; V155-C182 PolarHBondContact O-N 3.16Å; I157-C182 PolarHBondContact N-O 3.11Å; C182-I222 HydrophobicContact CB-CD1 4Å; C182-I222 HydrophobicContact CB-CG1 4.03Å; C182-I222 HydrophobicContact CB-CG2 3.71Å; C182-Y226 HydrophobicContact CB-CD2 4.13Å; C182-Y226 HydrophobicContact CB-CE2 3.89Å |
| 183 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.7 | 174 | -59.8 | 174.3 | 0 | 0 | 0 | 108.3 | Q82 F83 A86 L87 I157 H159 Y181 Y226 | Q82-I183 HydrophobicContact CB-CD1 4.44Å; Q82-I183 HydrophobicContact CG-CD1 4.4Å; Q82-I183 WeakPolarHBondContact O-CD1 3.46Å; F83-I183 HydrophobicContact CD1-CD1 3.88Å; F83-I183 HydrophobicContact CD1-CG1 4.35Å; F83-I183 HydrophobicContact CD1-CG2 4.07Å; F83-I183 HydrophobicContact CE1-CD1 4.08Å; F83-I183 HydrophobicContact CE1-CG1 4.44Å; F83-I183 HydrophobicContact CG-CD1 4.39Å; A86-I183 CarbonylContact C-O 3.49Å; A86-I183 WeakPolarHBondContact CA-O 3.25Å; A86-I183 HydrophobicContact CB-CG2 4.2Å; L87-I183 WeakPolarHBondContact CB-O 3.3Å; L87-I183 PolarHBondContact N-O 3.16Å; I157-I183 CarbonylContact O-C 2.97Å; I157-I183 WeakPolarHBondContact O-CA 3.42Å; H159-I183 HydrophobicContact CB-CG2 3.81Å; Y181-I183 HydrophobicContact CE2-CD1 4.48Å; Y181-I183 HydrophobicContact CE2-CG1 4.4Å; I183-Y226 HydrophobicContact CB-CE1 3.93Å; I183-Y226 HydrophobicContact CD1-CE1 4.24Å; I183-Y226 HydrophobicContact CG1-CE1 3.97Å; I183-Y226 PolarHBondContact O-OH 3.36Å |
| 184 | V | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.8 | -171.5 | 174 | 0 | 0 | 0 | 0 | 111.3 | L87 F96 V156 I157 A158 H159 G186 L190 | L87-V184 HydrophobicContact CB-CG2 4.32Å; L87-V184 HydrophobicContact CD2-CG2 4.27Å; F96-V184 HydrophobicContact CE2-CG1 3.55Å; F96-V184 HydrophobicContact CZ-CG1 3.81Å; V156-V184 HydrophobicContact CG1-CB 4.1Å; V156-V184 HydrophobicContact CG1-CG2 3.64Å; I157-V184 PolarHBondContact O-N 3.26Å; A158-V184 WeakPolarHBondContact CA-O 3.43Å; H159-V184 PolarHBondContact N-O 3.12Å; V184-G186 PolarHBondContact O-N 3.36Å; V184-L190 HydrophobicContact CG1-CD2 4.39Å |
| 185 | K | 97.1 | Very high | 97.2 | Very high | 118 Ų | 118 | 50.4 Ų | 50.4 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -72.5 | 114.4 | 179.3 | -59.7 | -171.3 | -179.2 | 176.4 | 0 | 111.9 | A86 R189 | A86-K185 HydrophobicContact CB-CD 4.38Å; A86-K185 HydrophobicContact CB-CG 3.57Å; K185-R189 WeakPolarHBondContact O-CD 3.46Å; K185-R189 PolarHBondContact O-NH1 3.3Å |
| 186 | G | 95.5 | Very high | 97.2 | Very high | 13 Ų | 13 | 54 Ų | 54 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | trans | 103.7 | 100.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H159 D160 V184 A188 R189 L190 | H159-G186 PolarHBondContact CE1-N 2.66Å; H159-G186 PolarHBondContact ND1-N 2.87Å; D160-G186 WeakPolarHBondContact OD1-CA 3.39Å; D160-G186 PolarHBondContact OD1-N 3.04Å; V184-G186 PolarHBondContact O-N 3.36Å; G186-A188 PolarHBondContact O-N 2.9Å; G186-A188 VanDerWaalsContact O-N 3.16Å; G186-R189 WeakPolarHBondContact O-CB 3.35Å; G186-R189 PolarHBondContact O-N 3.39Å; G186-L190 PolarHBondContact O-N 3.07Å | ||
| 187 | K | 97.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -25.6 | 172.5 | 71.8 | -172.2 | 165.7 | -163.8 | 0 | 113.2 | A158 D160 G191 T198 C199 | A158-K187 HydrophobicContact CB-CB 3.62Å; D160-K187 VanDerWaalsContact O-CD 3.27Å; D160-K187 WeakPolarHBondContact O-CD 3.38Å; D160-K187 WeakPolarHBondContact O-CE 3.44Å; D160-K187 PolarHBondContact O-NZ 2.85Å; D160-K187 PolarHBondContact OD1-N 3.05Å; D160-K187 WeakPolarHBondContact OD2-CG 3.19Å; D160-K187 PolarHBondContact OD2-N 3.05Å; D160-K187 VanDerWaalsContact OD2-N 3.14Å; K187-G191 PolarHBondContact O-N 2.84Å; K187-T198 HydrophobicContact CD-CG2 4.23Å; K187-T198 HydrophobicContact CG-CG2 3.86Å; K187-T198 WeakPolarHBondContact O-CA 3.47Å; K187-C199 WeakPolarHBondContact CB-O 3.25Å; K187-C199 PolarHBondContact O-N 3.41Å |
| 188 | A | 97.7 | Very high | 97.2 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G186 G191 R192 | G186-A188 PolarHBondContact O-N 2.9Å; G186-A188 VanDerWaalsContact O-N 3.16Å; A188-G191 PolarHBondContact O-N 2.8Å; A188-R192 PolarHBondContact O-N 3.38Å |
| 189 | R | 96.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 176.1 | -65.8 | 176.1 | 67.3 | -155.2 | 7 | 111.1 | F96 K185 G186 G191 R192 L193 | F96-R189 VanDerWaalsContact CD2-NH2 3.25Å; F96-R189 HydrophobicContact CE1-CB 4.19Å; F96-R189 HydrophobicContact CZ-CB 3.8Å; K185-R189 WeakPolarHBondContact O-CD 3.46Å; K185-R189 PolarHBondContact O-NH1 3.3Å; G186-R189 WeakPolarHBondContact O-CB 3.35Å; G186-R189 PolarHBondContact O-N 3.39Å; R189-G191 VanDerWaalsContact C-N 3.29Å; R189-G191 PolarHBondContact O-N 3.23Å; R189-R192 PolarHBondContact O-N 3.25Å; R189-L193 PolarHBondContact O-N 2.87Å |
| 190 | L | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 170.8 | -50.3 | -169.1 | 0 | 0 | 0 | 110.9 | F96 V156 A158 V184 G186 L193 V194 C199 F202 | F96-L190 HydrophobicContact CE1-CD2 3.89Å; F96-L190 HydrophobicContact CZ-CD2 3.63Å; V156-L190 HydrophobicContact CG1-CD2 3.95Å; A158-L190 HydrophobicContact CB-CD1 3.71Å; A158-L190 HydrophobicContact CB-CG 4.45Å; V184-L190 HydrophobicContact CG1-CD2 4.39Å; G186-L190 PolarHBondContact O-N 3.07Å; L190-L193 WeakPolarHBondContact O-CB 3.4Å; L190-L193 PolarHBondContact O-N 3.26Å; L190-V194 PolarHBondContact O-N 3.04Å; L190-C199 HydrophobicContact CB-CB 3.79Å; L190-F202 HydrophobicContact CB-CD1 4.32Å; L190-F202 HydrophobicContact CD1-CD1 4.48Å; L190-F202 HydrophobicContact CD2-CD1 4.01Å; L190-F202 HydrophobicContact CD2-CE1 3.58Å; L190-F202 HydrophobicContact CG-CD1 4.49Å |
| 191 | G | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -51.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K187 A188 R189 L193 V194 H195 R196 T198 | K187-G191 PolarHBondContact O-N 2.84Å; A188-G191 PolarHBondContact O-N 2.8Å; R189-G191 VanDerWaalsContact C-N 3.29Å; R189-G191 PolarHBondContact O-N 3.23Å; G191-L193 PolarHBondContact O-N 2.64Å; G191-V194 CarbonylContact O-C 3.54Å; G191-V194 WeakPolarHBondContact O-CG2 3.38Å; G191-V194 PolarHBondContact O-N 3.26Å; G191-H195 PolarHBondContact O-N 3.14Å; G191-H195 VanDerWaalsContact O-N 3.11Å; G191-R196 CarbonylContact C-O 3.58Å; G191-R196 WeakPolarHBondContact CA-O 3.38Å; G191-R196 PolarHBondContact O-N 3.38Å; G191-T198 VanDerWaalsContact CA-C 3.47Å |
| 192 | R | 96.5 | Very high | 97.2 | Very high | 198 Ų | 198 | 53.8 Ų | 53.8 | 75% | 0.747 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57 | -37.5 | -178.9 | -177.1 | 59.6 | 174.9 | -173.9 | 0.1 | 112.4 | R103 A188 R189 V194 H195 R196 | R103-R192 PolarHBondContact NH2-O 3.29Å; A188-R192 PolarHBondContact O-N 3.38Å; R189-R192 PolarHBondContact O-N 3.25Å; R192-V194 VanDerWaalsContact C-N 3.35Å; R192-V194 PolarHBondContact O-N 3.09Å; R192-H195 PolarHBondContact O-N 3.01Å; R192-R196 PolarHBondContact N-O 3.39Å |
| 193 | L | 95.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 177 | -171.6 | 69.7 | 0 | 0 | 0 | 112.2 | F96 A99 H100 R103 L136 R189 L190 G191 F202 | F96-L193 HydrophobicContact CD1-CD2 4.43Å; A99-L193 HydrophobicContact CB-CD1 4.34Å; A99-L193 HydrophobicContact CB-CD2 3.72Å; H100-L193 HydrophobicContact CB-CD1 4.45Å; R103-L193 HydrophobicContact CG-CD1 3.67Å; R103-L193 HydrophobicContact CG-CG 4.17Å; R103-L193 WeakPolarHBondContact CG-O 3.34Å; R103-L193 PolarHBondContact NE-O 3.05Å; L136-L193 HydrophobicContact CD1-CD2 3.48Å; L136-L193 VanDerWaalsContact CD1-CD2 3.48Å; L136-L193 HydrophobicContact CD1-CG 3.91Å; R189-L193 PolarHBondContact O-N 2.87Å; L190-L193 WeakPolarHBondContact O-CB 3.4Å; L190-L193 PolarHBondContact O-N 3.26Å; G191-L193 PolarHBondContact O-N 2.64Å; L193-F202 HydrophobicContact CD2-CD1 4.17Å; L193-F202 HydrophobicContact CD2-CE1 3.52Å; L193-F202 HydrophobicContact CD2-CZ 3.81Å |
| 194 | V | 96.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 18.9 | -177.7 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | P104 A138 L190 G191 R192 R196 C199 | P104-V194 HydrophobicContact CG-CB 4.06Å; P104-V194 HydrophobicContact CG-CG1 4.31Å; A138-V194 HydrophobicContact CB-CB 4.33Å; A138-V194 HydrophobicContact CB-CG1 3.8Å; A138-V194 HydrophobicContact CB-CG2 4.42Å; L190-V194 PolarHBondContact O-N 3.04Å; G191-V194 CarbonylContact O-C 3.54Å; G191-V194 WeakPolarHBondContact O-CG2 3.38Å; G191-V194 PolarHBondContact O-N 3.26Å; R192-V194 VanDerWaalsContact C-N 3.35Å; R192-V194 PolarHBondContact O-N 3.09Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 HydrophobicContact CG2-CB 4.21Å; V194-R196 HydrophobicContact CG2-CG 4.2Å; V194-R196 PolarHBondContact O-N 3.21Å; V194-C199 HydrophobicContact CG2-CB 3.89Å |
| 195 | H | 96.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 54.9 Ų | 54.9 | 40% | 0.398 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 35.5 | 178.3 | -53.6 | -99.5 | 0 | 0 | 0 | 114.2 | R103 P104 T106 G191 R192 | R103-H195 PolarHBondContact NH2-CE1 2.72Å; R103-H195 PolarHBondContact NH2-NE2 3.11Å; P104-H195 PolarHBondContact O-CD2 3.22Å; P104-H195 PolarHBondContact O-NE2 3.34Å; T106-H195 WeakPolarHBondContact CG2-CE1 3.33Å; T106-H195 WeakPolarHBondContact CG2-ND1 3.47Å; G191-H195 PolarHBondContact O-N 3.14Å; G191-H195 VanDerWaalsContact O-N 3.11Å; R192-H195 PolarHBondContact O-N 3.01Å |
| 196 | R | 96.2 | Very high | 96.9 | Very high | 166 Ų | 166 | 53.5 Ų | 53.5 | 63% | 0.626 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -123.5 | 163.9 | 175.3 | -65 | -177.9 | -179.6 | -164.9 | -0.5 | 111.1 | G191 R192 V194 T198 | G191-R196 CarbonylContact C-O 3.58Å; G191-R196 WeakPolarHBondContact CA-O 3.38Å; G191-R196 PolarHBondContact O-N 3.38Å; R192-R196 PolarHBondContact N-O 3.39Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 HydrophobicContact CG2-CB 4.21Å; V194-R196 HydrophobicContact CG2-CG 4.2Å; V194-R196 PolarHBondContact O-N 3.21Å; R196-T198 VanDerWaalsContact C-N 3.31Å; R196-T198 WeakPolarHBondContact CB-O 3.11Å; R196-T198 PolarHBondContact O-N 2.93Å |
| 197 | K | 97.3 | Very high | 97 | Very high | 197 Ų | 197 | 53.6 Ų | 53.6 | 86% | 0.857 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -62.1 | -40.5 | 173.6 | -67.6 | -176.7 | 178.8 | -179.9 | 0 | 111.6 | ||
| 198 | T | 97.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | trans | -144.6 | 159.3 | 179.6 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | K187 G191 R196 | K187-T198 HydrophobicContact CD-CG2 4.23Å; K187-T198 HydrophobicContact CG-CG2 3.86Å; K187-T198 WeakPolarHBondContact O-CA 3.47Å; G191-T198 VanDerWaalsContact CA-C 3.47Å; R196-T198 VanDerWaalsContact C-N 3.31Å; R196-T198 WeakPolarHBondContact CB-O 3.11Å; R196-T198 PolarHBondContact O-N 2.93Å | ||
| 199 | C | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | trans | -144.3 | 136.4 | 167.2 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | K187 L190 V194 S201 | K187-C199 WeakPolarHBondContact CB-O 3.25Å; K187-C199 PolarHBondContact O-N 3.41Å; L190-C199 HydrophobicContact CB-CB 3.79Å; V194-C199 HydrophobicContact CG2-CB 3.89Å; C199-S201 PolarHBondContact SG-O 3.18Å | ||
| 200 | T | 97.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -81.9 | -45.4 | -177.3 | 51 | 0 | 0 | 0 | 0 | 112 | A158 V161 | A158-T200 WeakPolarHBondContact CB-O 3.08Å; A158-T200 PolarHBondContact N-O 3.26Å; V161-T200 HydrophobicContact CG1-CG2 3.67Å; V161-T200 HydrophobicContact CG2-CG2 4.1Å |
| 201 | S | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.6 | 175.5 | 58.5 | 0 | 0 | 0 | 0 | 112 | G139 V156 C199 | G139-S201 PolarHBondContact N-O 2.59Å; V156-S201 CarbonylContact O-C 3.55Å; V156-S201 WeakPolarHBondContact O-CA 3.41Å; V156-S201 WeakPolarHBondContact O-CB 3.34Å; C199-S201 PolarHBondContact SG-O 3.18Å |
| 202 | F | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162 | 166.2 | 73.4 | -111.1 | 0 | 0 | 0 | 111.2 | L95 A99 L136 R137 A138 V156 L190 L193 F204 | L95-F202 HydrophobicContact CD2-CZ 4.23Å; A99-F202 HydrophobicContact CB-CE2 4.34Å; A99-F202 HydrophobicContact CB-CZ 3.99Å; L136-F202 HydrophobicContact CD1-CD2 4.4Å; L136-F202 HydrophobicContact CD1-CE2 4.35Å; L136-F202 HydrophobicContact CD2-CD2 3.77Å; L136-F202 HydrophobicContact CD2-CE2 3.79Å; R137-F202 CarbonylContact O-C 3.54Å; R137-F202 WeakPolarHBondContact O-CA 3.3Å; R137-F202 WeakPolarHBondContact O-CB 3.49Å; A138-F202 HydrophobicContact CB-CB 4.07Å; V156-F202 HydrophobicContact CB-CD1 4.27Å; V156-F202 HydrophobicContact CB-CD2 4.07Å; V156-F202 HydrophobicContact CB-CE1 4.06Å; V156-F202 HydrophobicContact CB-CE2 3.84Å; V156-F202 HydrophobicContact CB-CG 4.28Å; V156-F202 HydrophobicContact CB-CZ 3.83Å; V156-F202 HydrophobicContact CG1-CE1 4.02Å; V156-F202 HydrophobicContact CG1-CE2 4.5Å; V156-F202 HydrophobicContact CG1-CZ 4Å; V156-F202 HydrophobicContact CG2-CD2 4.02Å; V156-F202 HydrophobicContact CG2-CE1 4.43Å; V156-F202 HydrophobicContact CG2-CE2 3.45Å; V156-F202 VanDerWaalsContact CG2-CE2 3.45Å; V156-F202 HydrophobicContact CG2-CZ 3.7Å; V156-F202 PolarHBondContact N-O 3.09Å; V156-F202 PolarHBondContact O-N 3.16Å; L190-F202 HydrophobicContact CB-CD1 4.32Å; L190-F202 HydrophobicContact CD1-CD1 4.48Å; L190-F202 HydrophobicContact CD2-CD1 4.01Å; L190-F202 HydrophobicContact CD2-CE1 3.58Å; L190-F202 HydrophobicContact CG-CD1 4.49Å; L193-F202 HydrophobicContact CD2-CD1 4.17Å; L193-F202 HydrophobicContact CD2-CE1 3.52Å; L193-F202 HydrophobicContact CD2-CZ 3.81Å; F202-F204 HydrophobicContact CE2-CD2 4.21Å; F202-F204 AromaticContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CZ 4.45Å |
| 203 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R137 V143 A152 L154 V155 | R137-A203 PolarHBondContact N-O 2.9Å; R137-A203 PolarHBondContact O-N 2.82Å; V143-A203 HydrophobicContact CG1-CB 4.39Å; V143-A203 HydrophobicContact CG2-CB 4.2Å; A152-A203 HydrophobicContact CB-CB 4.09Å; L154-A203 CarbonylContact O-C 3.52Å; L154-A203 VanDerWaalsContact O-CA 3.26Å; L154-A203 WeakPolarHBondContact O-CA 3.49Å; V155-A203 HydrophobicContact CG2-CB 4.24Å |
| 204 | F | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.1 | 158.8 | -69.1 | -90.9 | 0 | 0 | 0 | 108.4 | L98 A99 Y102 L136 Q153 L154 F202 V207 L215 | L98-F204 HydrophobicContact CD2-CE1 4.22Å; L98-F204 HydrophobicContact CD2-CZ 4.13Å; L98-F204 HydrophobicContact CG-CE1 4.07Å; L98-F204 HydrophobicContact CG-CZ 4.08Å; A99-F204 HydrophobicContact CB-CE1 4.46Å; A99-F204 HydrophobicContact CB-CE2 4.4Å; A99-F204 HydrophobicContact CB-CZ 3.68Å; Y102-F204 HydrophobicContact CD2-CE1 4.06Å; Y102-F204 HydrophobicContact CG-CE1 4.45Å; L136-F204 HydrophobicContact CD2-CD1 3.67Å; L136-F204 HydrophobicContact CD2-CD2 4.22Å; L136-F204 HydrophobicContact CD2-CE1 3.63Å; L136-F204 HydrophobicContact CD2-CE2 4.18Å; L136-F204 HydrophobicContact CD2-CG 3.99Å; L136-F204 HydrophobicContact CD2-CZ 3.9Å; Q153-F204 PolarHBondContact N-O 2.83Å; L154-F204 HydrophobicContact CB-CB 4.43Å; L154-F204 HydrophobicContact CB-CD2 4.14Å; L154-F204 HydrophobicContact CD2-CD2 4.03Å; L154-F204 HydrophobicContact CD2-CE2 4.18Å; L154-F204 HydrophobicContact CG-CD2 4.31Å; L154-F204 PolarHBondContact O-N 3.15Å; F202-F204 HydrophobicContact CE2-CD2 4.21Å; F202-F204 AromaticContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CE2 3.82Å; F202-F204 HydrophobicContact CE2-CZ 4.45Å; F204-V207 HydrophobicContact CD1-CG1 3.86Å; F204-V207 HydrophobicContact CE1-CG1 4.4Å; F204-L215 HydrophobicContact CD2-CD1 4.28Å; F204-L215 HydrophobicContact CG-CD1 4.27Å |
| 205 | T | 96.2 | Very high | 96.9 | Very high | 24 Ų | 24 | 59.9 Ų | 59.9 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | trans | -111 | -33.9 | 174.2 | 59 | 0 | 0 | 0 | 0 | 112.7 | R137 L146 K151 | R137-T205 HydrophobicContact CB-CG2 4.41Å; R137-T205 HydrophobicContact CG-CG2 3.62Å; L146-T205 HydrophobicContact CD1-CG2 3.7Å; L146-T205 HydrophobicContact CD2-CG2 3.86Å; L146-T205 HydrophobicContact CG-CG2 4.28Å; K151-T205 WeakPolarHBondContact O-CA 3.37Å; K151-T205 WeakPolarHBondContact O-CB 3.46Å; K151-T205 WeakPolarHBondContact O-CG2 3.15Å | ||
| 206 | Q | 93.5 | Very high | 96.9 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | trans | -152.4 | 147.5 | 176.5 | 49 | 171.1 | 37.4 | 0 | 0 | 108.4 | P134 | P134-Q206 HydrophobicContact CB-CB 4.48Å; P134-Q206 HydrophobicContact CB-CG 3.81Å; P134-Q206 VanDerWaalsContact CB-O 3.28Å; P134-Q206 WeakPolarHBondContact CB-O 3.21Å | ||
| 207 | V | 96 | Very high | 97 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | trans | -130.7 | 159.4 | 173.7 | -69 | 0 | 0 | 0 | 0 | 109.8 | Y102 F204 D211 K212 L215 | Y102-V207 HydrophobicContact CD2-CG1 4.39Å; Y102-V207 HydrophobicContact CE1-CB 4.08Å; Y102-V207 HydrophobicContact CE1-CG1 4.09Å; Y102-V207 HydrophobicContact CE2-CB 4.35Å; Y102-V207 HydrophobicContact CE2-CG1 3.98Å; F204-V207 HydrophobicContact CD1-CG1 3.86Å; F204-V207 HydrophobicContact CE1-CG1 4.4Å; V207-D211 HydrophobicContact CB-CB 4.38Å; V207-K212 HydrophobicContact CG2-CG 4.03Å; V207-L215 HydrophobicContact CB-CD2 4.47Å; V207-L215 HydrophobicContact CG1-CD2 3.86Å; V207-L215 HydrophobicContact CG2-CB 4.39Å; V207-L215 HydrophobicContact CG2-CD2 3.74Å | ||
| 208 | N | 96.4 | Very high | 97 | Very high | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | trans | -63.6 | 153 | 173.2 | -67.9 | -28.1 | 0 | 0 | 0 | 110.4 | Y102 P134 E210 D211 K212 | Y102-N208 WeakPolarHBondContact OH-CB 3.35Å; Y102-N208 PolarHBondContact OH-N 3.32Å; P134-N208 WeakPolarHBondContact CG-OD1 3.23Å; N208-E210 VanDerWaalsContact C-N 3.26Å; N208-E210 PolarHBondContact O-N 3.4Å; N208-D211 PolarHBondContact O-N 3.28Å; N208-K212 PolarHBondContact O-N 2.97Å | ||
| 209 | P | 95.6 | Very high | 97 | Very high | 99 Ų | 99 | 47 Ų | 47 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -51.5 | -42.5 | 179.9 | -28.2 | 36.3 | 0 | 0 | 0 | 113.8 | D211 K212 | P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 2.89Å; P209-K212 WeakPolarHBondContact O-CB 3.44Å; P209-K212 PolarHBondContact O-N 2.9Å; P209-K212 VanDerWaalsContact O-N 3.16Å |
| 210 | E | 96.4 | Very high | 96.9 | Very high | 162 Ų | 162 | 53 Ų | 53 | 76% | 0.757 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -54.7 | -37.1 | 178.1 | -62.5 | 153.5 | -125.6 | 0 | 0 | 113.7 | N208 | N208-E210 VanDerWaalsContact C-N 3.26Å; N208-E210 PolarHBondContact O-N 3.4Å |
| 211 | D | 97.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -92.5 | -6.4 | -176.2 | -78.8 | -46.3 | 0 | 0 | 0 | 113.3 | L98 K101 Y102 V207 N208 P209 G213 A214 L215 | L98-D211 HydrophobicContact CD1-CB 3.78Å; K101-D211 VanDerWaalsContact CD-OD2 3.22Å; K101-D211 WeakPolarHBondContact CD-OD2 3.47Å; K101-D211 IonicContact NZ-OD1 3.58Å; K101-D211 PolarHBondContact NZ-OD1 3Å; K101-D211 IonicContact NZ-OD2 3.96Å; K101-D211 PolarHBondContact NZ-OD2 3Å; Y102-D211 HydrophobicContact CE2-CB 4.23Å; Y102-D211 VanDerWaalsContact CE2-OD2 3.3Å; Y102-D211 WeakPolarHBondContact CE2-OD2 3.13Å; Y102-D211 WeakPolarHBondContact OH-CB 3.47Å; Y102-D211 PolarHBondContact OH-OD2 3.4Å; V207-D211 HydrophobicContact CB-CB 4.38Å; N208-D211 PolarHBondContact O-N 3.28Å; P209-D211 VanDerWaalsContact C-N 3.27Å; P209-D211 PolarHBondContact O-N 2.89Å; D211-G213 VanDerWaalsContact C-N 3.29Å; D211-G213 PolarHBondContact O-N 3.3Å; D211-A214 PolarHBondContact O-N 3.1Å; D211-A214 VanDerWaalsContact O-N 3.09Å; D211-L215 PolarHBondContact O-N 3.33Å |
| 212 | K | 96.2 | Very high | 96.9 | Very high | 131 Ų | 131 | 53.4 Ų | 53.4 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -55.9 | -43.2 | -179 | -75 | -177.3 | 177.2 | -177.1 | 0 | 112 | V207 N208 P209 A214 L215 A216 | V207-K212 HydrophobicContact CG2-CG 4.03Å; N208-K212 PolarHBondContact O-N 2.97Å; P209-K212 WeakPolarHBondContact O-CB 3.44Å; P209-K212 PolarHBondContact O-N 2.9Å; P209-K212 VanDerWaalsContact O-N 3.16Å; K212-A214 VanDerWaalsContact C-N 3.35Å; K212-A214 PolarHBondContact O-N 3.43Å; K212-L215 PolarHBondContact O-N 3.02Å; K212-A216 WeakPolarHBondContact O-CB 3.37Å; K212-A216 PolarHBondContact O-N 3.02Å |
| 213 | G | 97.3 | Very high | 96.9 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 46% | 0.464 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.6 | -35 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D211 K217 | D211-G213 VanDerWaalsContact C-N 3.29Å; D211-G213 PolarHBondContact O-N 3.3Å; G213-K217 WeakPolarHBondContact O-CG 3.29Å; G213-K217 PolarHBondContact O-N 3.32Å |
| 214 | A | 96.8 | Very high | 96.8 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D211 K212 L218 | D211-A214 PolarHBondContact O-N 3.1Å; D211-A214 VanDerWaalsContact O-N 3.09Å; K212-A214 VanDerWaalsContact C-N 3.35Å; K212-A214 PolarHBondContact O-N 3.43Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 2.84Å |
| 215 | L | 97.5 | Very high | 96.7 | Very high | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 174.6 | -177 | 63.1 | 0 | 0 | 0 | 111.7 | L98 Q153 L154 F204 V207 D211 K212 L218 V219 | L98-L215 HydrophobicContact CD2-CB 3.99Å; L98-L215 HydrophobicContact CD2-CD1 3.97Å; Q153-L215 HydrophobicContact CB-CD2 4.32Å; L154-L215 HydrophobicContact CB-CD1 4.3Å; L154-L215 HydrophobicContact CD2-CD1 3.91Å; F204-L215 HydrophobicContact CD2-CD1 4.28Å; F204-L215 HydrophobicContact CG-CD1 4.27Å; V207-L215 HydrophobicContact CB-CD2 4.47Å; V207-L215 HydrophobicContact CG1-CD2 3.86Å; V207-L215 HydrophobicContact CG2-CB 4.39Å; V207-L215 HydrophobicContact CG2-CD2 3.74Å; D211-L215 PolarHBondContact O-N 3.33Å; K212-L215 PolarHBondContact O-N 3.02Å; L215-L218 PolarHBondContact O-N 3.39Å; L215-V219 HydrophobicContact CD1-CG2 4.12Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 WeakPolarHBondContact O-CB 3.45Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.9Å |
| 216 | A | 97.5 | Very high | 96.7 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 45% | 0.446 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -49 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K212 L218 V219 E220 | K212-A216 WeakPolarHBondContact O-CB 3.37Å; K212-A216 PolarHBondContact O-N 3.02Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 3.34Å; A216-V219 PolarHBondContact O-N 3.35Å; A216-V219 VanDerWaalsContact O-N 3.15Å; A216-E220 WeakPolarHBondContact O-CB 3.08Å; A216-E220 PolarHBondContact O-N 3.38Å |
| 217 | K | 97.3 | Very high | 96.8 | Very high | 158 Ų | 158 | 61.3 Ų | 61.3 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.5 | -40 | 176.1 | -69.7 | 178.7 | -179.9 | -172.4 | 0 | 112.7 | G213 A221 | G213-K217 WeakPolarHBondContact O-CG 3.29Å; G213-K217 PolarHBondContact O-N 3.32Å; K217-A221 WeakPolarHBondContact O-CB 3.49Å; K217-A221 PolarHBondContact O-N 2.93Å |
| 218 | L | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 174.3 | -77 | 170.3 | 0 | 0 | 0 | 112 | T91 Q94 L95 L98 A214 L215 A216 I222 | T91-L218 HydrophobicContact CG2-CD2 3.74Å; Q94-L218 HydrophobicContact CB-CD2 3.95Å; L95-L218 HydrophobicContact CB-CD1 4.31Å; L95-L218 HydrophobicContact CB-CD2 4.24Å; L98-L218 HydrophobicContact CB-CD1 4.31Å; L98-L218 HydrophobicContact CD2-CD1 3.76Å; A214-L218 WeakPolarHBondContact O-CG 3.35Å; A214-L218 PolarHBondContact O-N 2.84Å; L215-L218 PolarHBondContact O-N 3.39Å; A216-L218 VanDerWaalsContact C-N 3.32Å; A216-L218 PolarHBondContact O-N 3.34Å; L218-I222 WeakPolarHBondContact O-CB 3.27Å; L218-I222 WeakPolarHBondContact O-CD1 3.37Å; L218-I222 WeakPolarHBondContact O-CG1 3.27Å; L218-I222 PolarHBondContact O-N 2.71Å |
| 219 | V | 97.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 178.9 | 159.2 | 0 | 0 | 0 | 0 | 111.2 | L154 P180 L215 A216 I222 K223 | L154-V219 HydrophobicContact CB-CG2 4.01Å; L154-V219 HydrophobicContact CD1-CG2 4.4Å; L154-V219 HydrophobicContact CD2-CG2 4.32Å; L154-V219 HydrophobicContact CG-CG2 4.47Å; P180-V219 HydrophobicContact CB-CG1 4.12Å; P180-V219 HydrophobicContact CG-CG1 3.66Å; L215-V219 HydrophobicContact CD1-CG2 4.12Å; L215-V219 HydrophobicContact CG-CG2 4.16Å; L215-V219 WeakPolarHBondContact O-CB 3.45Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.9Å; A216-V219 PolarHBondContact O-N 3.35Å; A216-V219 VanDerWaalsContact O-N 3.15Å; V219-I222 PolarHBondContact O-N 3.22Å; V219-K223 VanDerWaalsContact O-CB 3.23Å; V219-K223 WeakPolarHBondContact O-CB 3.3Å; V219-K223 PolarHBondContact O-N 3.5Å |
| 220 | E | 97.3 | Very high | 96.8 | Very high | 131 Ų | 131 | 63.3 Ų | 63.3 | 61% | 0.612 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.4 | -57.2 | 176.8 | -176.8 | 176.9 | -164.8 | 0 | 0 | 111.2 | A216 I222 K223 T224 | A216-E220 WeakPolarHBondContact O-CB 3.08Å; A216-E220 PolarHBondContact O-N 3.38Å; E220-I222 PolarHBondContact O-N 3.18Å; E220-K223 PolarHBondContact O-N 3.34Å; E220-K223 VanDerWaalsContact O-N 3.09Å; E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 VanDerWaalsContact O-N 3.16Å; E220-T224 PolarHBondContact O-OG1 3.12Å |
| 221 | A | 97 | Very high | 96.7 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 31% | 0.314 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.6 | -34.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | K217 N225 | K217-A221 WeakPolarHBondContact O-CB 3.49Å; K217-A221 PolarHBondContact O-N 2.93Å; A221-N225 PolarHBondContact O-ND2 2.74Å |
| 222 | I | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.4 | -44.1 | 175.7 | -75.7 | 167.4 | 0 | 0 | 0 | 111.3 | L87 L95 L154 Y181 C182 L218 V219 E220 T224 N225 Y226 | L87-I222 HydrophobicContact CD1-CG1 4.29Å; L95-I222 HydrophobicContact CD1-CD1 3.75Å; L154-I222 HydrophobicContact CD1-CB 4.48Å; L154-I222 HydrophobicContact CD1-CD1 3.84Å; L154-I222 HydrophobicContact CD1-CG2 3.95Å; L154-I222 HydrophobicContact CD2-CD1 3.95Å; Y181-I222 WeakPolarHBondContact O-CG2 3.21Å; C182-I222 HydrophobicContact CB-CD1 4Å; C182-I222 HydrophobicContact CB-CG1 4.03Å; C182-I222 HydrophobicContact CB-CG2 3.71Å; L218-I222 WeakPolarHBondContact O-CB 3.27Å; L218-I222 WeakPolarHBondContact O-CD1 3.37Å; L218-I222 WeakPolarHBondContact O-CG1 3.27Å; L218-I222 PolarHBondContact O-N 2.71Å; V219-I222 PolarHBondContact O-N 3.22Å; E220-I222 PolarHBondContact O-N 3.18Å; I222-T224 PolarHBondContact O-N 2.81Å; I222-N225 PolarHBondContact O-N 3.04Å; I222-N225 VanDerWaalsContact O-N 3.1Å; I222-Y226 HydrophobicContact CG2-CD2 4.23Å; I222-Y226 WeakPolarHBondContact O-CD2 3.4Å; I222-Y226 PolarHBondContact O-N 2.82Å |
| 223 | K | 97.2 | Very high | 96.6 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | -177.3 | -171 | -167.4 | 169.9 | -167.2 | 0 | 111 | V219 E220 N225 Y226 N227 D228 | V219-K223 VanDerWaalsContact O-CB 3.23Å; V219-K223 WeakPolarHBondContact O-CB 3.3Å; V219-K223 PolarHBondContact O-N 3.5Å; E220-K223 PolarHBondContact O-N 3.34Å; E220-K223 VanDerWaalsContact O-N 3.09Å; K223-N225 VanDerWaalsContact C-N 3.27Å; K223-N225 PolarHBondContact O-N 2.67Å; K223-Y226 PolarHBondContact O-N 3.42Å; K223-N227 HydrophobicContact CG-CB 3.84Å; K223-N227 PolarHBondContact O-N 2.94Å; K223-D228 WeakPolarHBondContact CE-OD1 3.43Å; K223-D228 PolarHBondContact O-N 2.77Å |
| 224 | T | 96.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -35.6 | 176.3 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | E220 I222 D228 R229 | E220-T224 PolarHBondContact O-N 3.35Å; E220-T224 VanDerWaalsContact O-N 3.16Å; E220-T224 PolarHBondContact O-OG1 3.12Å; I222-T224 PolarHBondContact O-N 2.81Å; T224-D228 WeakPolarHBondContact CA-OD2 3.39Å; T224-D228 PolarHBondContact N-OD2 3.09Å; T224-R229 WeakPolarHBondContact O-CD 3.35Å; T224-R229 WeakPolarHBondContact O-CG 3.44Å |
| 225 | N | 95.4 | Very high | 96.5 | Very high | 73 Ų | 73 | 68.5 Ų | 68.5 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -79.9 | -25.6 | -178.9 | -81.8 | -59.7 | 0 | 0 | 0 | 114.4 | A221 I222 K223 | A221-N225 PolarHBondContact O-ND2 2.74Å; I222-N225 PolarHBondContact O-N 3.04Å; I222-N225 VanDerWaalsContact O-N 3.1Å; K223-N225 VanDerWaalsContact C-N 3.27Å; K223-N225 PolarHBondContact O-N 2.67Å |
| 226 | Y | 96.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 73.2 Ų | 73.2 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -129.2 | -46.6 | -167.8 | -75.1 | -84.9 | 0 | 0 | 0 | 115.8 | Q85 A86 L87 Y181 C182 I183 I222 K223 | Q85-Y226 PolarHBondContact O-OH 3.18Å; A86-Y226 VanDerWaalsContact C-OH 3.28Å; L87-Y226 WeakPolarHBondContact CA-OH 3.28Å; L87-Y226 HydrophobicContact CD1-CE2 4Å; L87-Y226 PolarHBondContact N-OH 2.92Å; Y181-Y226 HydrophobicContact CD2-CD1 4.39Å; Y181-Y226 AromaticContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CD1 3.73Å; Y181-Y226 HydrophobicContact CE2-CG 4.26Å; Y181-Y226 WeakPolarHBondContact O-CB 3.35Å; Y181-Y226 PolarHBondContact OH-O 3.19Å; C182-Y226 HydrophobicContact CB-CD2 4.13Å; C182-Y226 HydrophobicContact CB-CE2 3.89Å; I183-Y226 HydrophobicContact CB-CE1 3.93Å; I183-Y226 HydrophobicContact CD1-CE1 4.24Å; I183-Y226 HydrophobicContact CG1-CE1 3.97Å; I183-Y226 PolarHBondContact O-OH 3.36Å; I222-Y226 HydrophobicContact CG2-CD2 4.23Å; I222-Y226 WeakPolarHBondContact O-CD2 3.4Å; I222-Y226 PolarHBondContact O-N 2.82Å; K223-Y226 PolarHBondContact O-N 3.42Å |
| 227 | N | 96.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 77.8 Ų | 77.8 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -46.9 | -174.8 | -77.1 | 70.3 | 0 | 0 | 0 | 110.7 | V179 P180 Y181 K223 Y230 | V179-N227 PolarHBondContact O-ND2 3.04Å; P180-N227 WeakPolarHBondContact CA-OD1 3.34Å; Y181-N227 VanDerWaalsContact CD1-OD1 3.25Å; Y181-N227 WeakPolarHBondContact CD1-OD1 3.39Å; Y181-N227 PolarHBondContact N-OD1 3.14Å; K223-N227 HydrophobicContact CG-CB 3.84Å; K223-N227 PolarHBondContact O-N 2.94Å; N227-Y230 VanDerWaalsContact O-CB 3.27Å; N227-Y230 WeakPolarHBondContact O-CB 3.39Å; N227-Y230 PolarHBondContact O-N 3.09Å |
| 228 | D | 95.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -35.8 | -175.7 | -56.8 | -29.1 | 0 | 0 | 0 | 110.5 | K223 T224 Y230 | K223-D228 WeakPolarHBondContact CE-OD1 3.43Å; K223-D228 PolarHBondContact O-N 2.77Å; T224-D228 WeakPolarHBondContact CA-OD2 3.39Å; T224-D228 PolarHBondContact N-OD2 3.09Å; D228-Y230 VanDerWaalsContact C-N 3.28Å; D228-Y230 PolarHBondContact O-N 3.49Å |
| 229 | R | 95.8 | Very high | 96.3 | Very high | 103 Ų | 103 | 71.6 Ų | 71.6 | 39% | 0.389 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 8.9 | 175.6 | -65.2 | -177 | 67.8 | -157.7 | -4.1 | 115 | T224 E231 E232 I233 | T224-R229 WeakPolarHBondContact O-CD 3.35Å; T224-R229 WeakPolarHBondContact O-CG 3.44Å; R229-E231 VanDerWaalsContact C-N 3.3Å; R229-E231 PolarHBondContact O-N 3.12Å; R229-E232 IonicContact CZ-OE2 2.64Å; R229-E232 VanDerWaalsContact CZ-OE2 3.22Å; R229-E232 IonicContact NE-OE1 3.24Å; R229-E232 IonicContact NE-OE2 3.63Å; R229-E232 PolarHBondContact NE-OE2 3.22Å; R229-E232 IonicContact NH2-OE2 3.5Å; R229-E232 PolarHBondContact NH2-OE2 3.01Å; R229-E232 WeakPolarHBondContact O-CB 3.42Å; R229-E232 PolarHBondContact O-N 3.14Å; R229-E232 VanDerWaalsContact O-N 3.12Å; R229-I233 HydrophobicContact CB-CD1 4.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.3Å; R229-I233 PolarHBondContact O-N 3.1Å; R229-I233 VanDerWaalsContact O-N 3.14Å |
| 230 | Y | 95.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 75.1 Ų | 75.1 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -35.4 | -173 | -176.5 | -79 | 0 | 0 | 0 | 113.7 | P171 A172 R175 N227 D228 E232 I233 R234 | P171-Y230 HydrophobicContact CB-CE2 4.46Å; A172-Y230 WeakPolarHBondContact CA-OH 3.34Å; A172-Y230 VanDerWaalsContact CB-OH 3.24Å; A172-Y230 WeakPolarHBondContact CB-OH 3.39Å; R175-Y230 HydrophobicContact CB-CD2 3.89Å; R175-Y230 HydrophobicContact CB-CE2 4.05Å; R175-Y230 HydrophobicContact CB-CG 4.36Å; R175-Y230 HydrophobicContact CG-CD1 4.37Å; R175-Y230 HydrophobicContact CG-CD2 3.92Å; R175-Y230 HydrophobicContact CG-CE2 4.44Å; R175-Y230 HydrophobicContact CG-CG 3.88Å; R175-Y230 VanDerWaalsContact CZ-CD1 3.4Å; N227-Y230 VanDerWaalsContact O-CB 3.27Å; N227-Y230 WeakPolarHBondContact O-CB 3.39Å; N227-Y230 PolarHBondContact O-N 3.09Å; D228-Y230 VanDerWaalsContact C-N 3.28Å; D228-Y230 PolarHBondContact O-N 3.49Å; Y230-E232 PolarHBondContact O-N 2.67Å; Y230-I233 PolarHBondContact O-N 2.7Å; Y230-R234 HydrophobicContact CD1-CB 4.31Å; Y230-R234 HydrophobicContact CE1-CB 4.11Å; Y230-R234 HydrophobicContact CE1-CG 4.4Å; Y230-R234 VanDerWaalsContact O-CB 3.27Å; Y230-R234 WeakPolarHBondContact O-CB 3.34Å; Y230-R234 PolarHBondContact O-N 3.07Å |
| 231 | E | 95.2 | Very high | 96.2 | Very high | 58 Ų | 58 | 73.9 Ų | 73.9 | 27% | 0.271 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 177.9 | -74.7 | -57.5 | 133.9 | 0 | 0 | 112.9 | R175 R229 R235 | R175-E231 IonicContact CZ-OE1 3.1Å; R175-E231 VanDerWaalsContact CZ-OE1 3.27Å; R175-E231 IonicContact NH1-OE1 2.7Å; R175-E231 PolarHBondContact NH1-OE1 3.29Å; R175-E231 IonicContact NH2-OE1 2.67Å; R175-E231 PolarHBondContact NH2-OE1 2.77Å; R229-E231 VanDerWaalsContact C-N 3.3Å; R229-E231 PolarHBondContact O-N 3.12Å; E231-R235 WeakPolarHBondContact O-CD 3.33Å; E231-R235 VanDerWaalsContact O-CG 3.3Å; E231-R235 WeakPolarHBondContact O-CG 3.35Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 IonicContact OE2-CZ 3.97Å; E231-R235 IonicContact OE2-NE 2.74Å; E231-R235 IonicContact OE2-NH2 2.82Å; E231-R235 PolarHBondContact OE2-NH2 2.95Å; E231-R235 VanDerWaalsContact OE2-NH2 3.12Å |
| 232 | E | 95.9 | Very high | 96.1 | Very high | 105 Ų | 105 | 76.3 Ų | 76.3 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -52.3 | 171.9 | -58.4 | 174.3 | -171.7 | 0 | 0 | 109.8 | R229 Y230 R234 R235 H236 | R229-E232 IonicContact CZ-OE2 2.64Å; R229-E232 VanDerWaalsContact CZ-OE2 3.22Å; R229-E232 IonicContact NE-OE1 3.24Å; R229-E232 IonicContact NE-OE2 3.63Å; R229-E232 PolarHBondContact NE-OE2 3.22Å; R229-E232 IonicContact NH2-OE2 3.5Å; R229-E232 PolarHBondContact NH2-OE2 3.01Å; R229-E232 WeakPolarHBondContact O-CB 3.42Å; R229-E232 PolarHBondContact O-N 3.14Å; R229-E232 VanDerWaalsContact O-N 3.12Å; Y230-E232 PolarHBondContact O-N 2.67Å; E232-R234 VanDerWaalsContact C-N 3.29Å; E232-R234 PolarHBondContact O-N 3.42Å; E232-R235 PolarHBondContact O-N 3.46Å; E232-H236 WeakPolarHBondContact O-CB 3.34Å; E232-H236 PolarHBondContact O-N 3.06Å |
| 233 | I | 95.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 76.8 Ų | 76.8 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | -178.3 | -65.1 | 167.5 | 0 | 0 | 0 | 110.8 | P78 Q82 R229 Y230 R235 H236 | P78-I233 WeakPolarHBondContact CB-O 3.48Å; Q82-I233 HydrophobicContact CB-CG2 3.49Å; Q82-I233 VanDerWaalsContact CB-CG2 3.49Å; R229-I233 HydrophobicContact CB-CD1 4.35Å; R229-I233 WeakPolarHBondContact O-CG1 3.3Å; R229-I233 PolarHBondContact O-N 3.1Å; R229-I233 VanDerWaalsContact O-N 3.14Å; Y230-I233 PolarHBondContact O-N 2.7Å; I233-R235 VanDerWaalsContact C-N 3.27Å; I233-R235 PolarHBondContact O-N 3.12Å; I233-H236 PolarHBondContact O-N 3.06Å |
| 234 | R | 95.6 | Very high | 96.1 | Very high | 155 Ų | 155 | 77.1 Ų | 77.1 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.4 | -28.8 | 177.8 | -174.3 | -173.9 | -178.2 | -172.2 | -0.7 | 113.2 | P78 Y230 E232 | P78-R234 WeakPolarHBondContact CB-O 3.35Å; P78-R234 VanDerWaalsContact CG-O 3.3Å; P78-R234 WeakPolarHBondContact CG-O 3.42Å; Y230-R234 HydrophobicContact CD1-CB 4.31Å; Y230-R234 HydrophobicContact CE1-CB 4.11Å; Y230-R234 HydrophobicContact CE1-CG 4.4Å; Y230-R234 VanDerWaalsContact O-CB 3.27Å; Y230-R234 WeakPolarHBondContact O-CB 3.34Å; Y230-R234 PolarHBondContact O-N 3.07Å; E232-R234 VanDerWaalsContact C-N 3.29Å; E232-R234 PolarHBondContact O-N 3.42Å |
| 235 | R | 96.1 | Very high | 96.1 | Very high | 176 Ų | 176 | 81.4 Ų | 81.4 | 66% | 0.664 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -96 | -19.4 | -178.6 | -63.9 | 171.5 | -162.3 | -165.1 | 3.6 | 112.5 | E231 E232 I233 W237 | E231-R235 WeakPolarHBondContact O-CD 3.33Å; E231-R235 VanDerWaalsContact O-CG 3.3Å; E231-R235 WeakPolarHBondContact O-CG 3.35Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 IonicContact OE2-CZ 3.97Å; E231-R235 IonicContact OE2-NE 2.74Å; E231-R235 IonicContact OE2-NH2 2.82Å; E231-R235 PolarHBondContact OE2-NH2 2.95Å; E231-R235 VanDerWaalsContact OE2-NH2 3.12Å; E232-R235 PolarHBondContact O-N 3.46Å; I233-R235 VanDerWaalsContact C-N 3.27Å; I233-R235 PolarHBondContact O-N 3.12Å; R235-W237 PolarHBondContact O-N 3.21Å |
| 236 | H | 96.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 80.5 Ų | 80.5 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | trans | -82.1 | 97 | -172.5 | -168.3 | 73.1 | 0 | 0 | 0 | 113.2 | N81 E232 I233 | N81-H236 PolarHBondContact ND2-CD2 3.4Å; N81-H236 PolarHBondContact ND2-O 3.41Å; E232-H236 WeakPolarHBondContact O-CB 3.34Å; E232-H236 PolarHBondContact O-N 3.06Å; I233-H236 PolarHBondContact O-N 3.06Å | ||
| 237 | W | 97.4 | Very high | 96.2 | Very high | 150 Ų | 150 | 82.7 Ų | 82.7 | 57% | 0.568 | 40% | 0.401 | S | S | * | . | trans | -65.7 | 145.3 | 172.4 | -74.6 | 77.7 | 0 | 0 | 0 | 112.1 | K75 P77 P78 R235 | K75-W237 HydrophobicContact CB-CE3 4.12Å; K75-W237 HydrophobicContact CB-CZ3 4.38Å; P77-W237 HydrophobicContact CB-CZ3 4.31Å; P77-W237 HydrophobicContact CG-CZ3 4.12Å; P78-W237 HydrophobicContact CG-CD2 4.25Å; P78-W237 HydrophobicContact CG-CG 4.03Å; R235-W237 PolarHBondContact O-N 3.21Å | ||
| 238 | G | 96.5 | Very high | 96.3 | Very high | 8 Ų | 8 | 84.8 Ų | 84.8 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K75 V76 N81 | K75-G238 WeakPolarHBondContact CA-O 3.22Å; V76-G238 PolarHBondContact N-O 3.03Å; V76-G238 PolarHBondContact O-N 2.86Å; N81-G238 VanDerWaalsContact ND2-CA 3.35Å; N81-G238 WeakPolarHBondContact ND2-CA 3.22Å; N81-G238 PolarHBondContact ND2-N 2.88Å; N81-G238 VanDerWaalsContact OD1-CA 3.29Å; N81-G238 WeakPolarHBondContact OD1-CA 3.03Å |
| 239 | G | 95.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 89.8 Ų | 89.8 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 69 | -138.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K72 L74 I241 | K72-G239 CarbonylContact O-C 3.54Å; L74-G239 WeakPolarHBondContact O-CA 3.38Å; G239-I241 WeakPolarHBondContact O-CG1 3.08Å; G239-I241 PolarHBondContact O-N 3.38Å; G239-I241 VanDerWaalsContact O-N 3.09Å |
| 240 | N | 96.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 89.4 Ų | 89.4 | 57% | 0.567 | 43% | 0.434 | S | S | * | . | trans | 54.2 | 22.2 | -172.6 | -160.2 | 49.7 | 0 | 0 | 0 | 114.7 | K72 R73 L74 K75 | K72-N240 PolarHBondContact O-N 2.96Å; R73-N240 WeakPolarHBondContact O-CA 3.43Å; L74-N240 PolarHBondContact O-N 2.83Å; K75-N240 HydrophobicContact CG-CB 3.98Å | ||
| 241 | I | 95.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 92 Ų | 92 | 53% | 0.533 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 128.5 | -178.8 | -52.4 | 178.6 | 0 | 0 | 0 | 108.1 | K72 R73 G239 | K72-I241 PolarHBondContact O-N 3.18Å; R73-I241 WeakPolarHBondContact CD-O 3.46Å; R73-I241 PolarHBondContact NH1-O 2.89Å; G239-I241 WeakPolarHBondContact O-CG1 3.08Å; G239-I241 PolarHBondContact O-N 3.38Å; G239-I241 VanDerWaalsContact O-N 3.09Å |
| 242 | L | 96.1 | Very high | 96.7 | Very high | 89 Ų | 89 | 97.3 Ų | 97.3 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 170 | 176.9 | -74 | 174.5 | 0 | 0 | 0 | 113.3 | R73 T247 F250 | R73-L242 PolarHBondContact NH1-O 3.05Å; L242-T247 HydrophobicContact CB-CG2 3.61Å; L242-F250 HydrophobicContact CD1-CD2 3.94Å; L242-F250 HydrophobicContact CD1-CE2 3.81Å |
| 243 | G | 96.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 97 Ų | 97 | 10% | 0.103 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 148.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R73 K245 S246 T247 | R73-G243 VanDerWaalsContact NH2-CA 3.25Å; G243-K245 VanDerWaalsContact C-N 3.25Å; G243-K245 PolarHBondContact O-N 3.46Å; G243-K245 VanDerWaalsContact O-N 3.12Å; G243-S246 WeakPolarHBondContact O-CA 3.42Å; G243-S246 WeakPolarHBondContact O-CB 3.41Å; G243-S246 PolarHBondContact O-N 3.07Å; G243-T247 PolarHBondContact O-N 3.11Å; G243-T247 PolarHBondContact O-OG1 2.94Å |
| 244 | P | 96.8 | Very high | 96.9 | Very high | 106 Ų | 106 | 102 Ų | 102 | 69% | 0.688 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -55.3 | -33.5 | -176.7 | -28.9 | 35.5 | 0 | 0 | 0 | 115.3 | T247 A248 | P244-T247 WeakPolarHBondContact CA-OG1 3.46Å; P244-T247 PolarHBondContact O-OG1 3.01Å; P244-T247 VanDerWaalsContact O-OG1 3.07Å; P244-A248 WeakPolarHBondContact O-CB 3.37Å; P244-A248 PolarHBondContact O-N 3.16Å |
| 245 | K | 97.6 | Very high | 97 | Very high | 171 Ų | 171 | 102.6 Ų | 102.6 | 74% | 0.743 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.8 | -39 | 173.7 | -70.7 | -170.4 | 174.5 | -170.6 | 0 | 112.2 | G243 R249 | G243-K245 VanDerWaalsContact C-N 3.25Å; G243-K245 PolarHBondContact O-N 3.46Å; G243-K245 VanDerWaalsContact O-N 3.12Å; K245-R249 PolarHBondContact O-N 2.84Å; K245-R249 VanDerWaalsContact O-N 3.1Å |
| 246 | S | 96.8 | Very high | 97 | Very high | 54 Ų | 54 | 97 Ų | 97 | 38% | 0.378 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.6 | -46.3 | 179.4 | -50.5 | 0 | 0 | 0 | 0 | 110.7 | G243 R249 F250 | G243-S246 WeakPolarHBondContact O-CA 3.42Å; G243-S246 WeakPolarHBondContact O-CB 3.41Å; G243-S246 PolarHBondContact O-N 3.07Å; S246-R249 WeakPolarHBondContact O-CB 3.02Å; S246-R249 PolarHBondContact O-N 3.26Å; S246-F250 WeakPolarHBondContact O-CD2 3.33Å; S246-F250 PolarHBondContact O-N 3.06Å |
| 247 | T | 97.1 | Very high | 97.1 | Very high | 59 Ų | 59 | 97.9 Ų | 97.9 | 36% | 0.362 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 175.2 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | L242 G243 P244 R249 F250 T251 | L242-T247 HydrophobicContact CB-CG2 3.61Å; G243-T247 PolarHBondContact O-N 3.11Å; G243-T247 PolarHBondContact O-OG1 2.94Å; P244-T247 WeakPolarHBondContact CA-OG1 3.46Å; P244-T247 PolarHBondContact O-OG1 3.01Å; P244-T247 VanDerWaalsContact O-OG1 3.07Å; T247-R249 VanDerWaalsContact C-N 3.27Å; T247-R249 PolarHBondContact O-N 2.97Å; T247-F250 PolarHBondContact O-N 3.19Å; T247-T251 PolarHBondContact O-N 2.97Å; T247-T251 PolarHBondContact O-OG1 3.05Å; T247-T251 VanDerWaalsContact O-OG1 3.06Å |
| 248 | A | 97.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -34.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P244 K252 | P244-A248 WeakPolarHBondContact O-CB 3.37Å; P244-A248 PolarHBondContact O-N 3.16Å; A248-K252 WeakPolarHBondContact O-CB 3.39Å; A248-K252 PolarHBondContact O-N 3.17Å |
| 249 | R | 98.1 | Very high | 97.1 | Very high | 195 Ų | 195 | 100.7 Ų | 100.7 | 74% | 0.736 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 172.4 | -179.8 | -174.5 | 173 | -162.2 | -2 | 111.4 | K245 S246 T247 K252 L253 | K245-R249 PolarHBondContact O-N 2.84Å; K245-R249 VanDerWaalsContact O-N 3.1Å; S246-R249 WeakPolarHBondContact O-CB 3.02Å; S246-R249 PolarHBondContact O-N 3.26Å; T247-R249 VanDerWaalsContact C-N 3.27Å; T247-R249 PolarHBondContact O-N 2.97Å; R249-K252 PolarHBondContact O-N 3.48Å; R249-L253 PolarHBondContact O-N 2.97Å; R249-L253 VanDerWaalsContact O-N 3.16Å |
| 250 | F | 97.1 | Very high | 97.2 | Very high | 95 Ų | 95 | 106.1 Ų | 106.1 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -49.7 | 177.9 | -70.8 | -62.2 | 0 | 0 | 0 | 111.4 | L242 S246 T247 K252 L253 E254 | L242-F250 HydrophobicContact CD1-CD2 3.94Å; L242-F250 HydrophobicContact CD1-CE2 3.81Å; S246-F250 WeakPolarHBondContact O-CD2 3.33Å; S246-F250 PolarHBondContact O-N 3.06Å; T247-F250 PolarHBondContact O-N 3.19Å; F250-K252 VanDerWaalsContact C-N 3.29Å; F250-K252 PolarHBondContact O-N 2.83Å; F250-L253 CarbonylContact O-C 3.59Å; F250-L253 WeakPolarHBondContact O-CA 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.47Å; F250-L253 PolarHBondContact O-N 2.88Å; F250-E254 WeakPolarHBondContact O-CG 3.48Å; F250-E254 PolarHBondContact O-N 3.38Å |
| 251 | T | 97.4 | Very high | 97.2 | Very high | 83 Ų | 83 | 106.2 Ų | 106.2 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 177.9 | -52.1 | 0 | 0 | 0 | 0 | 112.8 | T247 E254 K255 | T247-T251 PolarHBondContact O-N 2.97Å; T247-T251 PolarHBondContact O-OG1 3.05Å; T247-T251 VanDerWaalsContact O-OG1 3.06Å; T251-E254 WeakPolarHBondContact CA-OE2 3.37Å; T251-K255 VanDerWaalsContact O-CB 3.28Å; T251-K255 WeakPolarHBondContact O-CB 3.45Å; T251-K255 PolarHBondContact O-N 3.32Å |
| 252 | K | 98.1 | Very high | 97.2 | Very high | 171 Ų | 171 | 104.3 Ų | 104.3 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 173.2 | -174.5 | 179.2 | 178.6 | -176.4 | 0 | 111.8 | A248 R249 F250 A256 | A248-K252 WeakPolarHBondContact O-CB 3.39Å; A248-K252 PolarHBondContact O-N 3.17Å; R249-K252 PolarHBondContact O-N 3.48Å; F250-K252 VanDerWaalsContact C-N 3.29Å; F250-K252 PolarHBondContact O-N 2.83Å; K252-A256 PolarHBondContact O-N 3.26Å |
| 253 | L | 97.8 | Very high | 97.1 | Very high | 97 Ų | 97 | 104.9 Ų | 104.9 | 51% | 0.508 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.3 | -46 | 177.7 | -173.1 | 74.5 | 0 | 0 | 0 | 111.6 | R249 F250 K255 A256 K257 | R249-L253 PolarHBondContact O-N 2.97Å; R249-L253 VanDerWaalsContact O-N 3.16Å; F250-L253 CarbonylContact O-C 3.59Å; F250-L253 WeakPolarHBondContact O-CA 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.47Å; F250-L253 PolarHBondContact O-N 2.88Å; L253-K255 VanDerWaalsContact C-N 3.35Å; L253-K255 PolarHBondContact O-N 2.98Å; L253-A256 WeakPolarHBondContact O-CB 3.4Å; L253-A256 PolarHBondContact O-N 3.19Å; L253-A256 VanDerWaalsContact O-N 3.17Å; L253-K257 PolarHBondContact O-N 3.43Å |
| 254 | E | 97.4 | Very high | 96.8 | Very high | 118 Ų | 118 | 113 Ų | 113 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.8 | -45.3 | 176.5 | -71.4 | 165.7 | 164.8 | 0 | 0 | 111.2 | F250 T251 A256 K257 A258 | F250-E254 WeakPolarHBondContact O-CG 3.48Å; F250-E254 PolarHBondContact O-N 3.38Å; T251-E254 WeakPolarHBondContact CA-OE2 3.37Å; E254-A256 VanDerWaalsContact C-N 3.3Å; E254-A256 PolarHBondContact O-N 3Å; E254-K257 PolarHBondContact O-N 3.15Å; E254-A258 WeakPolarHBondContact O-CB 3.33Å; E254-A258 PolarHBondContact O-N 2.85Å |
| 255 | K | 97.7 | Very high | 96.3 | Very high | 166 Ų | 166 | 114.7 Ų | 114.7 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.4 | -35.4 | 175.9 | -174.9 | 170.8 | -178.4 | 173.7 | 0 | 112.8 | T251 L253 K259 | T251-K255 VanDerWaalsContact O-CB 3.28Å; T251-K255 WeakPolarHBondContact O-CB 3.45Å; T251-K255 PolarHBondContact O-N 3.32Å; L253-K255 VanDerWaalsContact C-N 3.35Å; L253-K255 PolarHBondContact O-N 2.98Å; K255-K259 PolarHBondContact O-N 2.91Å; K255-K259 VanDerWaalsContact O-N 3.15Å |
| 256 | A | 97.5 | Very high | 94.9 | Very high | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.8 | -48.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K252 L253 E254 A258 K259 E260 | K252-A256 PolarHBondContact O-N 3.26Å; L253-A256 WeakPolarHBondContact O-CB 3.4Å; L253-A256 PolarHBondContact O-N 3.19Å; L253-A256 VanDerWaalsContact O-N 3.17Å; E254-A256 VanDerWaalsContact C-N 3.3Å; E254-A256 PolarHBondContact O-N 3Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3Å; A256-K259 PolarHBondContact O-N 3.34Å; A256-E260 PolarHBondContact O-N 3Å |
| 257 | K | 97.6 | Very high | 94.8 | Very high | 128 Ų | 128 | 114.9 Ų | 114.9 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -59.5 | -41.7 | 175.7 | -71.2 | -175.6 | 172.9 | -166.6 | 0 | 112.8 | L253 E254 K259 E260 L261 | L253-K257 PolarHBondContact O-N 3.43Å; E254-K257 PolarHBondContact O-N 3.15Å; K257-K259 VanDerWaalsContact C-N 3.33Å; K257-K259 PolarHBondContact O-N 3.48Å; K257-E260 PolarHBondContact O-N 3.3Å; K257-L261 WeakPolarHBondContact O-CB 3.35Å; K257-L261 PolarHBondContact O-N 3.36Å |
| 258 | A | 96.9 | Very high | 94.7 | Very high | 61 Ų | 61 | 117.8 Ų | 117.8 | 50% | 0.504 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.4 | -37.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E254 A256 A262 | E254-A258 WeakPolarHBondContact O-CB 3.33Å; E254-A258 PolarHBondContact O-N 2.85Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3Å; A258-A262 WeakPolarHBondContact O-CB 3.34Å; A258-A262 PolarHBondContact O-N 3.3Å |
| 259 | K | 97.1 | Very high | 94.5 | Very high | 155 Ų | 155 | 121.1 Ų | 121.1 | 67% | 0.674 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.2 | -47.8 | 173.2 | -174.6 | -177.1 | 176.2 | -173.1 | 0 | 111.3 | K255 A256 K257 L261 A262 T263 | K255-K259 PolarHBondContact O-N 2.91Å; K255-K259 VanDerWaalsContact O-N 3.15Å; A256-K259 PolarHBondContact O-N 3.34Å; K257-K259 VanDerWaalsContact C-N 3.33Å; K257-K259 PolarHBondContact O-N 3.48Å; K259-L261 PolarHBondContact O-N 3.17Å; K259-A262 PolarHBondContact O-N 3.48Å; K259-T263 PolarHBondContact O-N 3.02Å; K259-T263 PolarHBondContact O-OG1 3.04Å |
| 260 | E | 96.8 | Very high | 94.3 | Very high | 142 Ų | 142 | 116.7 Ų | 116.7 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.4 | -46.4 | 178.3 | -173.6 | -172.3 | 159.7 | 0 | 0 | 111.8 | A256 K257 T263 K264 | A256-E260 PolarHBondContact O-N 3Å; K257-E260 PolarHBondContact O-N 3.3Å; E260-T263 PolarHBondContact O-N 2.9Å; E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 PolarHBondContact O-N 2.98Å |
| 261 | L | 96.8 | Very high | 94.2 | Very high | 109 Ų | 109 | 118.1 Ų | 118.1 | 57% | 0.571 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.6 | -39 | 177.8 | -176.3 | 129.9 | 0 | 0 | 0 | 112.4 | K257 K259 K264 L265 | K257-L261 WeakPolarHBondContact O-CB 3.35Å; K257-L261 PolarHBondContact O-N 3.36Å; K259-L261 PolarHBondContact O-N 3.17Å; L261-K264 PolarHBondContact O-N 3.42Å; L261-K264 VanDerWaalsContact O-N 3.16Å; L261-L265 HydrophobicContact CD2-CD1 3.57Å; L261-L265 HydrophobicContact CG-CD1 3.95Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.38Å; L261-L265 VanDerWaalsContact O-N 3.17Å |
| 262 | A | 95.4 | Very high | 94 | Very high | 64 Ų | 64 | 120.4 Ų | 120.4 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -63.5 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A258 K259 K264 L265 G266 | A258-A262 WeakPolarHBondContact O-CB 3.34Å; A258-A262 PolarHBondContact O-N 3.3Å; K259-A262 PolarHBondContact O-N 3.48Å; A262-K264 PolarHBondContact O-N 3.17Å; A262-L265 PolarHBondContact O-N 3.4Å; A262-G266 PolarHBondContact O-N 3.16Å |
| 263 | T | 95 | Very high | 93.7 | Very high | 101 Ų | 101 | 116.8 Ų | 116.8 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.6 | -10.5 | 174.4 | -57 | 0 | 0 | 0 | 0 | 113.6 | K259 E260 | K259-T263 PolarHBondContact O-N 3.02Å; K259-T263 PolarHBondContact O-OG1 3.04Å; E260-T263 PolarHBondContact O-N 2.9Å |
| 264 | K | 91.1 | Very high | 93.3 | Very high | 180 Ų | 180 | 118.3 Ų | 118.3 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -95.7 | -18.8 | 175.3 | -170.1 | 174.9 | -179.5 | 179.9 | 0 | 113.2 | E260 L261 A262 | E260-K264 WeakPolarHBondContact O-CB 3.49Å; E260-K264 PolarHBondContact O-N 2.98Å; L261-K264 PolarHBondContact O-N 3.42Å; L261-K264 VanDerWaalsContact O-N 3.16Å; A262-K264 PolarHBondContact O-N 3.17Å |
| 265 | L | 86.4 | Confident | 93 | Very high | 141 Ų | 141 | 118.3 Ų | 118.3 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -102.2 | -13.4 | -176.2 | -74.5 | 169.8 | 0 | 0 | 0 | 114 | L261 A262 | L261-L265 HydrophobicContact CD2-CD1 3.57Å; L261-L265 HydrophobicContact CG-CD1 3.95Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.38Å; L261-L265 VanDerWaalsContact O-N 3.17Å; A262-L265 PolarHBondContact O-N 3.4Å |
| 266 | G | 67.9 | Low | 92.6 | Very high | 115 Ų | 115 | 114 Ų | 114 | 100% | 1.186 | 66% | 0.664 | S | S | * | * | trans | -121.7 | 0 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A262 | A262-G266 PolarHBondContact O-N 3.16Š|
Retrieved 266 of 266 residues in 341.1 ms
(Link to these results)