| 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 | 40.6 | Very low | 37.5 | Very low | 234 Ų | 234 | 158.5 Ų | 158.5 | 100% | 1.153 | 83% | 0.829 | S | S | * | * | 0 | 108.6 | 0 | -54.4 | -62.2 | -168.7 | 0 | 0 | 106.2 | |||||
| 2 | L | 39.4 | Very low | 37.1 | Very low | 168 Ų | 168 | 157.3 Ų | 157.3 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | cis | -136.2 | 148.9 | 6.7 | -137.5 | 70.2 | 0 | 0 | 0 | 108.7 | ||||
| 3 | K | 31.7 | Very low | 37 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -103.8 | 150.6 | 169.2 | -71.8 | 177.4 | 173.4 | -180 | 0 | 108.9 | ||||
| 4 | A | 42.2 | Very low | 36.7 | Very low | 85 Ų | 85 | 152.6 Ų | 152.6 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | trans | 167.7 | 112.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 5 | L | 38.9 | Very low | 36.8 | Very low | 148 Ų | 148 | 152 Ų | 152 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | 78.6 | 116.5 | 83.1 | -91 | 140.3 | 0 | 0 | 0 | 113.5 | |||||
| 6 | F | 40.5 | Very low | 36.7 | Very low | 211 Ų | 211 | 154.3 Ų | 154.3 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | -151.6 | 151.5 | 114.1 | -109.4 | -77.5 | 0 | 0 | 0 | 110.1 | |||||
| 7 | L | 34.3 | Very low | 36.4 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | -142.6 | 171.4 | -165.2 | -157.9 | 93.5 | 0 | 0 | 0 | 109.2 | ||||
| 8 | T | 37.2 | Very low | 36.3 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | trans | 78.8 | 149 | 171.5 | 80.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 9 | M | 38.4 | Very low | 36.1 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | cis | -132.3 | 156.3 | 8.1 | -91.7 | -58.6 | 176.4 | 0 | 0 | 112.9 | ||||
| 10 | L | 30 | Very low | 35.9 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -116.1 | 126.9 | 167.2 | -177 | 85.4 | 0 | 0 | 0 | 108.4 | L12 | L10-L12 HydrophobicContact CD2-CD1 4.48Š| ||
| 11 | T | 39.6 | Very low | 35.8 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -139.5 | 122 | 171.3 | 45.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 12 | L | 31.9 | Very low | 35.3 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 146 | 173.6 | -79 | 68 | 0 | 0 | 0 | 111.2 | L10 | L10-L12 HydrophobicContact CD2-CD1 4.48Š| ||
| 13 | A | 36.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -138.4 | 117.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 14 | L | 32.2 | Very low | 34.9 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -81.3 | 130.3 | 169.4 | -78.9 | 87.9 | 0 | 0 | 0 | 109.5 | ||||
| 15 | V | 39.5 | Very low | 34.5 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -128.6 | 138 | 155.3 | 179.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 16 | K | 34.4 | Very low | 34.5 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -91.9 | 141.3 | -173.7 | -77.4 | 176.9 | 168.4 | 179.1 | 0 | 111.7 | ||||
| 17 | S | 32.5 | Very low | 35 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 50.2 | 110.3 | 134.8 | 168.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 18 | Q | 33 | Very low | 36.4 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | -163.9 | 154.1 | 110.2 | -109 | 167.7 | -28.8 | 0 | 0 | 111.8 | |||||
| 19 | D | 33.7 | Very low | 37.8 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -69.1 | 142.1 | -169.7 | -47.4 | -92.1 | 0 | 0 | 0 | 114.3 | ||||
| 20 | T | 31.3 | Very low | 39.4 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -172.3 | 127 | 132.4 | 23.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 21 | E | 33.4 | Very low | 41.4 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | 49.5 | 106.7 | 156.2 | -63.2 | -179.6 | 136.3 | 0 | 0 | 120.5 | T23 | E21-T23 PolarHBondContact O-N 2.91Š| ||
| 22 | E | 30.6 | Very low | 42.9 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | trans | -74.7 | 92.7 | 162.6 | -68.8 | -176.6 | 135.3 | 0 | 0 | 111.5 | I24 | E22-I24 HydrophobicContact CB-CG1 4.41Å; E22-I24 PolarHBondContact O-N 3.07Å | ||
| 23 | T | 30.8 | Very low | 45.2 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -91.1 | 85.6 | 168 | -43.2 | 0 | 0 | 0 | 0 | 110.2 | E21 T25 | E21-T23 PolarHBondContact O-N 2.91Å; T23-T25 PolarHBondContact O-N 3.38Å | ||
| 24 | I | 31.9 | Very low | 47.3 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | trans | -82 | 103.2 | 179.2 | -56.6 | 172.5 | 0 | 0 | 0 | 110.5 | E22 | E22-I24 HydrophobicContact CB-CG1 4.41Å; E22-I24 PolarHBondContact O-N 3.07Å | ||
| 25 | T | 33.3 | Very low | 49.7 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | trans | -154.8 | 100.5 | 157 | 36.4 | 0 | 0 | 0 | 0 | 110 | T23 | T23-T25 PolarHBondContact O-N 3.38Š| ||
| 26 | Y | 39.8 | Very low | 51.7 | Low | 213 Ų | 213 | 120.8 Ų | 120.8 | 84% | 0.835 | 62% | 0.618 | S | S | * | * | trans | -117.1 | 86.4 | 166.6 | -152 | -87.3 | 0 | 0 | 0 | 107.8 | Q28 | Y26-Q28 HydrophobicContact CD1-CG 4.22Å; Y26-Q28 PolarHBondContact O-N 3.41Å; Y26-Q28 VanDerWaalsContact O-N 3.14Å | ||
| 27 | T | 51 | Low | 53.4 | Low | 63 Ų | 63 | 116 Ų | 116 | 39% | 0.387 | 61% | 0.606 | S | S | . | * | trans | -72.4 | 100.9 | 179.6 | 27 | 0 | 0 | 0 | 0 | 110 | C29 W35 | T27-C29 PolarHBondContact O-N 3.02Å; T27-W35 HydrophobicContact CG2-CE3 4.34Å; T27-W35 HydrophobicContact CG2-CH2 3.82Å; T27-W35 HydrophobicContact CG2-CZ2 4.45Å; T27-W35 HydrophobicContact CG2-CZ3 3.76Å; T27-W35 WeakPolarHBondContact OG1-CZ2 3.49Å | ||
| 28 | Q | 63.2 | Low | 55.5 | Low | 173 Ų | 173 | 117.5 Ų | 117.5 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | trans | -78.6 | 107.1 | 167.9 | -69.6 | -172.7 | -40.1 | 0 | 0 | 109 | Y26 | Y26-Q28 HydrophobicContact CD1-CG 4.22Å; Y26-Q28 PolarHBondContact O-N 3.41Å; Y26-Q28 VanDerWaalsContact O-N 3.14Å | ||
| 29 | C | 67.3 | Low | 57.6 | Low | 28 Ų | 28 | 116.7 Ų | 116.7 | 19% | 0.189 | 60% | 0.599 | C | S | . | * | P | Polyproline II helix | trans | -64.8 | 152.8 | 162.2 | -65 | 0 | 0 | 0 | 0 | 110 | T27 Y33 C42 | T27-C29 PolarHBondContact O-N 3.02Å; C29-Y33 WeakPolarHBondContact CB-O 3.25Å; C29-C42 WeakPolarHBondContact CA-SG 3.42Å; C29-C42 HydrophobicContact CB-CB 3.92Å; C29-C42 WeakPolarHBondContact CB-SG 3.14Å; C29-C42 VanDerWaalsContact SG-CA 3.5Å; C29-C42 WeakPolarHBondContact SG-CB 3.46Å; C29-C42 CovalentContact SG-SG 2.04Å; C29-C42 PolarHBondContact SG-SG 2.63Å |
| 30 | T | 71.6 | Confident | 59.7 | Low | 96 Ų | 96 | 116 Ų | 116 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 159.2 | 172.7 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | G32 Y33 | T30-G32 PolarHBondContact O-N 3.39Å; T30-Y33 PolarHBondContact O-N 2.95Å |
| 31 | D | 72.7 | Confident | 61.9 | Low | 161 Ų | 161 | 114 Ų | 114 | 86% | 0.861 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | 138.9 | 172.4 | -63.1 | -28.3 | 0 | 0 | 0 | 110.7 | ||
| 32 | G | 70.9 | Confident | 64.1 | Low | 14 Ų | 14 | 108.1 Ų | 108.1 | 14% | 0.144 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 87.2 | -2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T30 I45 | T30-G32 PolarHBondContact O-N 3.39Å; G32-I45 WeakPolarHBondContact O-CB 3.4Å; G32-I45 PolarHBondContact O-N 3.21Å; G32-I45 VanDerWaalsContact O-N 3.14Å |
| 33 | Y | 79.9 | Confident | 66.5 | Low | 50 Ų | 50 | 104.9 Ų | 104.9 | 20% | 0.196 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.7 | -179.6 | -64.6 | -98.7 | 0 | 0 | 0 | 113.3 | C29 T30 C42 K43 D44 G66 | C29-Y33 WeakPolarHBondContact CB-O 3.25Å; T30-Y33 PolarHBondContact O-N 2.95Å; Y33-C42 HydrophobicContact CD1-CB 4.32Å; Y33-C42 HydrophobicContact CG-CB 4.48Å; Y33-K43 CarbonylContact C-O 3.55Å; Y33-K43 WeakPolarHBondContact CA-O 3.41Å; Y33-D44 HydrophobicContact CE1-CB 4.43Å; Y33-G66 PolarHBondContact OH-N 3.49Å |
| 34 | E | 81.1 | Confident | 68.9 | Low | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 144 | 173.8 | -176.4 | 176.5 | 179.8 | 0 | 0 | 110.2 | D36 K43 I45 | E34-D36 PolarHBondContact O-N 2.97Å; E34-K43 PolarHBondContact N-O 3.11Å; E34-K43 PolarHBondContact O-N 3.34Å; E34-I45 HydrophobicContact CB-CD1 4.12Å; E34-I45 HydrophobicContact CB-CG1 3.86Å |
| 35 | W | 82 | Confident | 71.3 | Confident | 80 Ų | 80 | 95.4 Ų | 95.4 | 30% | 0.303 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 117.3 | 175.3 | 179.3 | -102 | 0 | 0 | 0 | 111.1 | T27 P37 Q40 | T27-W35 HydrophobicContact CG2-CE3 4.34Å; T27-W35 HydrophobicContact CG2-CH2 3.82Å; T27-W35 HydrophobicContact CG2-CZ2 4.45Å; T27-W35 HydrophobicContact CG2-CZ3 3.76Å; T27-W35 WeakPolarHBondContact OG1-CZ2 3.49Å; W35-P37 WeakPolarHBondContact O-CD 3.36Å; W35-Q40 VanDerWaalsContact CH2-C 3.42Å; W35-Q40 HydrophobicContact CH2-CB 4.46Å; W35-Q40 VanDerWaalsContact CH2-O 3.32Å; W35-Q40 WeakPolarHBondContact CH2-O 2.99Å; W35-Q40 HydrophobicContact CZ2-CB 4.28Å |
| 36 | D | 80.5 | Confident | 73.7 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 16% | 0.16 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 105.9 | 171.7 | -178 | -26 | 0 | 0 | 0 | 109.5 | E34 V38 R39 Q40 Q41 K43 | E34-D36 PolarHBondContact O-N 2.97Å; D36-V38 PolarHBondContact O-N 2.91Å; D36-V38 WeakPolarHBondContact OD1-CA 3.44Å; D36-V38 WeakPolarHBondContact OD1-CB 3.29Å; D36-V38 PolarHBondContact OD1-N 2.8Å; D36-R39 HydrophobicContact CB-CB 4.21Å; D36-R39 PolarHBondContact O-N 2.03Å; D36-R39 PolarHBondContact OD1-N 2.85Å; D36-R39 VanDerWaalsContact OD2-CD 3.27Å; D36-R39 WeakPolarHBondContact OD2-CD 3.48Å; D36-R39 WeakPolarHBondContact OD2-CG 3.42Å; D36-R39 IonicContact OD2-NE 2.71Å; D36-Q40 WeakPolarHBondContact O-CA 3.03Å; D36-Q40 PolarHBondContact O-N 2.94Å; D36-Q41 PolarHBondContact N-O 2.6Å; D36-Q41 PolarHBondContact O-N 3.07Å; D36-K43 HydrophobicContact CB-CB 4.16Å |
| 37 | P | 71 | Confident | 75.9 | Confident | 88 Ų | 88 | 83.8 Ų | 83.8 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -16.1 | -177.7 | 31.6 | -36.9 | 0 | 0 | 0 | 113.3 | W35 Q40 | W35-P37 WeakPolarHBondContact O-CD 3.36Å; P37-Q40 PolarHBondContact O-NE2 3.47Å |
| 38 | V | 76.7 | Confident | 77.4 | Confident | 134 Ų | 134 | 82.5 Ų | 82.5 | 81% | 0.812 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -38.6 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | D36 | D36-V38 PolarHBondContact O-N 2.91Å; D36-V38 WeakPolarHBondContact OD1-CA 3.44Å; D36-V38 WeakPolarHBondContact OD1-CB 3.29Å; D36-V38 PolarHBondContact OD1-N 2.8Å |
| 39 | R | 78 | Confident | 78.4 | Confident | 168 Ų | 168 | 81.2 Ų | 81.2 | 63% | 0.634 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -10.5 | 179.1 | -63.9 | -176.4 | -179.2 | -171.9 | -0.6 | 114.4 | D36 Q41 | D36-R39 HydrophobicContact CB-CB 4.21Å; D36-R39 PolarHBondContact O-N 2.03Å; D36-R39 PolarHBondContact OD1-N 2.85Å; D36-R39 VanDerWaalsContact OD2-CD 3.27Å; D36-R39 WeakPolarHBondContact OD2-CD 3.48Å; D36-R39 WeakPolarHBondContact OD2-CG 3.42Å; D36-R39 IonicContact OD2-NE 2.71Å; R39-Q41 HydrophobicContact CB-CG 3.72Å; R39-Q41 PolarHBondContact O-N 2.99Å |
| 40 | Q | 77 | Confident | 79 | Confident | 130 Ų | 130 | 85.3 Ų | 85.3 | 61% | 0.607 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 39.1 | -176.7 | -62.3 | -72.7 | -54.3 | 0 | 0 | 112.5 | W35 D36 P37 | W35-Q40 VanDerWaalsContact CH2-C 3.42Å; W35-Q40 HydrophobicContact CH2-CB 4.46Å; W35-Q40 VanDerWaalsContact CH2-O 3.32Å; W35-Q40 WeakPolarHBondContact CH2-O 2.99Å; W35-Q40 HydrophobicContact CZ2-CB 4.28Å; D36-Q40 WeakPolarHBondContact O-CA 3.03Å; D36-Q40 PolarHBondContact O-N 2.94Å; P37-Q40 PolarHBondContact O-NE2 3.47Å |
| 41 | Q | 78.4 | Confident | 79.3 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 43% | 0.425 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156.7 | -178 | 72.5 | -176.7 | 35.3 | 0 | 0 | 110.5 | D36 R39 K43 | D36-Q41 PolarHBondContact N-O 2.6Å; D36-Q41 PolarHBondContact O-N 3.07Å; R39-Q41 HydrophobicContact CB-CG 3.72Å; R39-Q41 PolarHBondContact O-N 2.99Å; Q41-K43 PolarHBondContact O-N 2.84Å |
| 42 | C | 77.9 | Confident | 79.1 | Confident | 53 Ų | 53 | 81.5 Ų | 81.5 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.9 | 164.6 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | C29 Y33 | C29-C42 WeakPolarHBondContact CA-SG 3.42Å; C29-C42 HydrophobicContact CB-CB 3.92Å; C29-C42 WeakPolarHBondContact CB-SG 3.14Å; C29-C42 VanDerWaalsContact SG-CA 3.5Å; C29-C42 WeakPolarHBondContact SG-CB 3.46Å; C29-C42 CovalentContact SG-SG 2.04Å; C29-C42 PolarHBondContact SG-SG 2.63Å; Y33-C42 HydrophobicContact CD1-CB 4.32Å; Y33-C42 HydrophobicContact CG-CB 4.48Å |
| 43 | K | 82.1 | Confident | 79.3 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.5 | 176.5 | -174.3 | -155.4 | 162.7 | -151.1 | 0 | 108.3 | Y33 E34 D36 Q41 | Y33-K43 CarbonylContact C-O 3.55Å; Y33-K43 WeakPolarHBondContact CA-O 3.41Å; E34-K43 PolarHBondContact N-O 3.11Å; E34-K43 PolarHBondContact O-N 3.34Å; D36-K43 HydrophobicContact CB-CB 4.16Å; Q41-K43 PolarHBondContact O-N 2.84Å |
| 44 | D | 80.7 | Confident | 79.1 | Confident | 27 Ų | 27 | 86.6 Ų | 86.6 | 14% | 0.144 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 136 | 170.7 | -168.9 | 54 | 0 | 0 | 0 | 112.5 | Y33 N63 H64 Y65 G66 | Y33-D44 HydrophobicContact CE1-CB 4.43Å; D44-N63 PolarHBondContact OD2-ND2 3.23Å; D44-H64 VanDerWaalsContact OD1-O 3.06Å; D44-Y65 HydrophobicContact CB-CD1 4.2Å; D44-Y65 HydrophobicContact CB-CE1 4.5Å; D44-Y65 VanDerWaalsContact OD1-CA 3.25Å; D44-Y65 WeakPolarHBondContact OD1-CA 3.5Å; D44-G66 PolarHBondContact OD1-N 2.79Å |
| 45 | I | 83.2 | Confident | 78.8 | Confident | 41 Ų | 41 | 80.9 Ų | 80.9 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | trans | -91.7 | 128.5 | 175.2 | -65.2 | 176.6 | 0 | 0 | 0 | 108.2 | G32 E34 E47 I50 N63 | G32-I45 WeakPolarHBondContact O-CB 3.4Å; G32-I45 PolarHBondContact O-N 3.21Å; G32-I45 VanDerWaalsContact O-N 3.14Å; E34-I45 HydrophobicContact CB-CD1 4.12Å; E34-I45 HydrophobicContact CB-CG1 3.86Å; I45-E47 HydrophobicContact CG2-CG 4.03Å; I45-E47 PolarHBondContact O-N 3.38Å; I45-E47 VanDerWaalsContact O-N 3.14Å; I45-I50 HydrophobicContact CG2-CD1 3.4Å; I45-N63 PolarHBondContact O-OD1 3.13Å | ||
| 46 | D | 84 | Confident | 78.5 | Confident | 58 Ų | 58 | 86 Ų | 86 | 31% | 0.31 | 45% | 0.45 | S | S | . | . | trans | -82 | 90.4 | 170.8 | -163.8 | -44.7 | 0 | 0 | 0 | 110.4 | C48 D49 I50 N63 | D46-C48 PolarHBondContact O-N 3.27Å; D46-C48 WeakPolarHBondContact OD1-CA 3.5Å; D46-C48 VanDerWaalsContact OD1-CB 3.32Å; D46-C48 WeakPolarHBondContact OD1-CB 3.42Å; D46-C48 PolarHBondContact OD1-N 3.11Å; D46-D49 HydrophobicContact CB-CB 4.4Å; D46-D49 PolarHBondContact O-N 3.48Å; D46-D49 PolarHBondContact OD1-N 2.87Å; D46-D49 VanDerWaalsContact OD1-N 3.11Å; D46-I50 WeakPolarHBondContact O-CD1 3.32Å; D46-I50 WeakPolarHBondContact O-CG1 3.15Å; D46-I50 PolarHBondContact O-N 3.44Å; D46-N63 WeakPolarHBondContact CA-OD1 3.34Å; D46-N63 HydrophobicContact CB-CB 4.44Å; D46-N63 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 47 | E | 84.2 | Confident | 77.9 | Confident | 29 Ų | 29 | 88.6 Ų | 88.6 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -71.9 | -16.2 | 179.3 | -56.8 | 95.4 | 173 | 0 | 0 | 113.4 | I45 D49 I50 V51 G67 Y68 | I45-E47 HydrophobicContact CG2-CG 4.03Å; I45-E47 PolarHBondContact O-N 3.38Å; I45-E47 VanDerWaalsContact O-N 3.14Å; E47-D49 VanDerWaalsContact C-N 3.29Å; E47-D49 PolarHBondContact O-N 3.28Å; E47-I50 PolarHBondContact O-N 2.7Å; E47-V51 HydrophobicContact CB-CG2 4.26Å; E47-V51 WeakPolarHBondContact O-CB 3.37Å; E47-V51 PolarHBondContact O-N 3.42Å; E47-G67 WeakPolarHBondContact OE2-CA 3.01Å; E47-Y68 HydrophobicContact CB-CD1 3.65Å; E47-Y68 HydrophobicContact CB-CE1 4.28Å; E47-Y68 HydrophobicContact CB-CG 4.41Å; E47-Y68 HydrophobicContact CG-CD1 4.28Å; E47-Y68 PolarHBondContact OE2-N 3.29Å |
| 48 | C | 83.8 | Confident | 77.9 | Confident | 35 Ų | 35 | 86.7 Ų | 86.7 | 24% | 0.236 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68.5 | -30.8 | 174.1 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | D46 C61 V62 N63 | D46-C48 PolarHBondContact O-N 3.27Å; D46-C48 WeakPolarHBondContact OD1-CA 3.5Å; D46-C48 VanDerWaalsContact OD1-CB 3.32Å; D46-C48 WeakPolarHBondContact OD1-CB 3.42Å; D46-C48 PolarHBondContact OD1-N 3.11Å; C48-C61 WeakPolarHBondContact CA-SG 3.24Å; C48-C61 HydrophobicContact CB-CB 3.86Å; C48-C61 WeakPolarHBondContact CB-SG 3.33Å; C48-C61 WeakPolarHBondContact SG-CB 3.33Å; C48-C61 CovalentContact SG-SG 2.04Å; C48-C61 PolarHBondContact SG-SG 3.46Å; C48-V62 PolarHBondContact SG-N 3.25Å; C48-N63 PolarHBondContact SG-N 2.83Å; C48-N63 VanDerWaalsContact SG-N 3.43Å |
| 49 | D | 83.8 | Confident | 77.8 | Confident | 146 Ų | 146 | 84.8 Ų | 84.8 | 78% | 0.781 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -78.9 | -26.6 | 172.1 | -85.9 | -7.7 | 0 | 0 | 0 | 113 | D46 E47 | D46-D49 HydrophobicContact CB-CB 4.4Å; D46-D49 PolarHBondContact O-N 3.48Å; D46-D49 PolarHBondContact OD1-N 2.87Å; D46-D49 VanDerWaalsContact OD1-N 3.11Å; E47-D49 VanDerWaalsContact C-N 3.29Å; E47-D49 PolarHBondContact O-N 3.28Å |
| 50 | I | 80.1 | Confident | 77.9 | Confident | 114 Ų | 114 | 82.9 Ų | 82.9 | 59% | 0.585 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -95.5 | -28.8 | -172.8 | -61.7 | 166.2 | 0 | 0 | 0 | 113 | I45 D46 E47 P52 | I45-I50 HydrophobicContact CG2-CD1 3.4Å; D46-I50 WeakPolarHBondContact O-CD1 3.32Å; D46-I50 WeakPolarHBondContact O-CG1 3.15Å; D46-I50 PolarHBondContact O-N 3.44Å; E47-I50 PolarHBondContact O-N 2.7Å; I50-P52 WeakPolarHBondContact O-CD 3.23Å |
| 51 | V | 76.6 | Confident | 78.2 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 35% | 0.352 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -111 | 100.2 | -175.5 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | E47 D53 A54 | E47-V51 HydrophobicContact CB-CG2 4.26Å; E47-V51 WeakPolarHBondContact O-CB 3.37Å; E47-V51 PolarHBondContact O-N 3.42Å; V51-D53 PolarHBondContact O-N 3.25Å; V51-A54 HydrophobicContact CB-CB 4.01Å; V51-A54 HydrophobicContact CG1-CB 3.97Å; V51-A54 WeakPolarHBondContact O-CB 3.42Å; V51-A54 PolarHBondContact O-N 2.91Å; V51-A54 VanDerWaalsContact O-N 3.16Å |
| 52 | P | 70 | Confident | 78.5 | Confident | 119 Ų | 119 | 75.6 Ų | 75.6 | 77% | 0.773 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 133.2 | 173.1 | -20.4 | 32.2 | 0 | 0 | 0 | 110.8 | I50 A54 | I50-P52 WeakPolarHBondContact O-CD 3.23Å; P52-A54 PolarHBondContact O-N 2.76Å |
| 53 | D | 75.3 | Confident | 78.6 | Confident | 156 Ų | 156 | 75.3 Ų | 75.3 | 83% | 0.834 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36.6 | -175 | -64.5 | -37 | 0 | 0 | 0 | 114.4 | V51 C55 | V51-D53 PolarHBondContact O-N 3.25Å; D53-C55 PolarHBondContact O-N 3.26Å |
| 54 | A | 74.5 | Confident | 78.4 | Confident | 16 Ų | 16 | 72 Ų | 72 | 13% | 0.132 | 41% | 0.413 | C | S | . | . | trans | -43.5 | -37.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V51 P52 Y68 | V51-A54 HydrophobicContact CB-CB 4.01Å; V51-A54 HydrophobicContact CG1-CB 3.97Å; V51-A54 WeakPolarHBondContact O-CB 3.42Å; V51-A54 PolarHBondContact O-N 2.91Å; V51-A54 VanDerWaalsContact O-N 3.16Å; P52-A54 PolarHBondContact O-N 2.76Å; A54-Y68 HydrophobicContact CB-CD2 3.96Å; A54-Y68 HydrophobicContact CB-CE2 3.67Å | ||
| 55 | C | 75 | Confident | 78.3 | Confident | 13 Ų | 13 | 78.8 Ų | 78.8 | 9% | 0.088 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -106.7 | 110.7 | 179.8 | -63.1 | 0 | 0 | 0 | 0 | 113 | D53 M59 C61 C70 | D53-C55 PolarHBondContact O-N 3.26Å; C55-M59 HydrophobicContact CB-CB 4.01Å; C55-C61 VanDerWaalsContact SG-CA 3.54Å; C55-C70 WeakPolarHBondContact CA-SG 3.38Å; C55-C70 HydrophobicContact CB-CB 3.72Å; C55-C70 WeakPolarHBondContact CB-SG 3.45Å; C55-C70 WeakPolarHBondContact SG-CA 3.22Å; C55-C70 WeakPolarHBondContact SG-CB 3.32Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.94Å |
| 56 | K | 75.9 | Confident | 77.7 | Confident | 186 Ų | 186 | 78.3 Ų | 78.3 | 81% | 0.809 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -70.1 | 154.8 | 175.5 | -66.1 | -179.5 | -178.2 | 173.2 | 0 | 111.9 | ||
| 57 | G | 68.7 | Low | 77.5 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 88% | 0.876 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | 78.9 | 14.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | M59 | G57-M59 VanDerWaalsContact C-N 3.34Š|
| 58 | G | 70 | Confident | 77.3 | Confident | 48 Ų | 48 | 79.5 Ų | 79.5 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | 78.9 | 16.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K73 | G58-K73 WeakPolarHBondContact O-CE 3.33Š|
| 59 | M | 74.6 | Confident | 77 | Confident | 95 Ų | 95 | 79.2 Ų | 79.2 | 47% | 0.468 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 152.6 | 165.8 | -67 | 173.5 | -177 | 0 | 0 | 110.6 | C55 G57 C70 L71 | C55-M59 HydrophobicContact CB-CB 4.01Å; G57-M59 VanDerWaalsContact C-N 3.34Å; M59-C70 HydrophobicContact CB-CB 4.19Å; M59-C70 HydrophobicContact SD-CB 4.03Å; M59-L71 CarbonylContact C-O 3.52Å; M59-L71 WeakPolarHBondContact CA-O 3.06Å; M59-L71 WeakPolarHBondContact CB-O 3.31Å |
| 60 | K | 81 | Confident | 76.9 | Confident | 127 Ų | 127 | 74.5 Ų | 74.5 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.6 | 175.4 | -176.4 | -171 | 174.3 | -167.5 | 0 | 109 | V62 L71 | K60-V62 HydrophobicContact CD-CG2 4.2Å; K60-V62 HydrophobicContact CG-CG2 4.32Å; K60-L71 PolarHBondContact N-O 2.91Å; K60-L71 PolarHBondContact O-N 2.95Å |
| 61 | C | 82.4 | Confident | 76.6 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.1 | 167.2 | -162.7 | 0 | 0 | 0 | 0 | 109.9 | C48 C55 | C48-C61 WeakPolarHBondContact CA-SG 3.24Å; C48-C61 HydrophobicContact CB-CB 3.86Å; C48-C61 WeakPolarHBondContact CB-SG 3.33Å; C48-C61 WeakPolarHBondContact SG-CB 3.33Å; C48-C61 CovalentContact SG-SG 2.04Å; C48-C61 PolarHBondContact SG-SG 3.46Å; C55-C61 VanDerWaalsContact SG-CA 3.54Å |
| 62 | V | 84.3 | Confident | 76.2 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 128.3 | 168 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | C48 K60 L69 L71 I77 | C48-V62 PolarHBondContact SG-N 3.25Å; K60-V62 HydrophobicContact CD-CG2 4.2Å; K60-V62 HydrophobicContact CG-CG2 4.32Å; V62-L69 PolarHBondContact N-O 3.48Å; V62-L69 PolarHBondContact O-N 3.28Å; V62-L71 HydrophobicContact CG2-CD1 4.22Å; V62-I77 HydrophobicContact CB-CD1 3.98Å; V62-I77 HydrophobicContact CG1-CD1 3.58Å; V62-I77 HydrophobicContact CG2-CD1 3.86Å |
| 63 | N | 80 | Confident | 76 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 147.2 | 177.9 | -172 | 43.3 | 0 | 0 | 0 | 111.9 | D44 I45 D46 C48 | D44-N63 PolarHBondContact OD2-ND2 3.23Å; I45-N63 PolarHBondContact O-OD1 3.13Å; D46-N63 WeakPolarHBondContact CA-OD1 3.34Å; D46-N63 HydrophobicContact CB-CB 4.44Å; D46-N63 WeakPolarHBondContact OD2-CB 3.38Å; C48-N63 PolarHBondContact SG-N 2.83Å; C48-N63 VanDerWaalsContact SG-N 3.43Å |
| 64 | H | 79.1 | Confident | 75.3 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.5 | -178.1 | -165.7 | -83.5 | 0 | 0 | 0 | 110.7 | D44 G66 G67 L69 L272 | D44-H64 VanDerWaalsContact OD1-O 3.06Å; H64-G66 PolarHBondContact O-N 2.89Å; H64-G67 CarbonylContact C-O 3.58Å; H64-G67 VanDerWaalsContact C-O 3.26Å; H64-G67 VanDerWaalsContact CA-O 3.25Å; H64-G67 WeakPolarHBondContact CA-O 3.4Å; H64-G67 VanDerWaalsContact CB-O 3.27Å; H64-G67 WeakPolarHBondContact CB-O 3.38Å; H64-G67 PolarHBondContact N-O 2.79Å; H64-G67 PolarHBondContact O-N 2.03Å; H64-G67 VanDerWaalsContact O-N 3.07Å; H64-L69 HydrophobicContact CB-CD1 4.05Å; H64-L69 HydrophobicContact CB-CG 4.3Å; H64-L272 WeakPolarHBondContact CE1-CB 3.42Å; H64-L272 PolarHBondContact NE2-O 2.72Å |
| 65 | Y | 77.5 | Confident | 74.2 | Confident | 168 Ų | 168 | 70.4 Ų | 70.4 | 66% | 0.659 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 112.6 | 175.6 | -72.1 | -74.4 | 0 | 0 | 0 | 112 | D44 | D44-Y65 HydrophobicContact CB-CD1 4.2Å; D44-Y65 HydrophobicContact CB-CE1 4.5Å; D44-Y65 VanDerWaalsContact OD1-CA 3.25Å; D44-Y65 WeakPolarHBondContact OD1-CA 3.5Å |
| 66 | G | 70.5 | Confident | 72.9 | Confident | 31 Ų | 31 | 77 Ų | 77 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 19.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y33 D44 H64 | Y33-G66 PolarHBondContact OH-N 3.49Å; D44-G66 PolarHBondContact OD1-N 2.79Å; H64-G66 PolarHBondContact O-N 2.89Å |
| 67 | G | 79.7 | Confident | 71.6 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.6 | -170.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E47 H64 | E47-G67 WeakPolarHBondContact OE2-CA 3.01Å; H64-G67 CarbonylContact C-O 3.58Å; H64-G67 VanDerWaalsContact C-O 3.26Å; H64-G67 VanDerWaalsContact CA-O 3.25Å; H64-G67 WeakPolarHBondContact CA-O 3.4Å; H64-G67 VanDerWaalsContact CB-O 3.27Å; H64-G67 WeakPolarHBondContact CB-O 3.38Å; H64-G67 PolarHBondContact N-O 2.79Å; H64-G67 PolarHBondContact O-N 2.03Å; H64-G67 VanDerWaalsContact O-N 3.07Å |
| 68 | Y | 81.6 | Confident | 70.3 | Confident | 98 Ų | 98 | 71.9 Ų | 71.9 | 38% | 0.384 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.5 | 178 | 63 | -80.8 | 0 | 0 | 0 | 112.9 | E47 A54 | E47-Y68 HydrophobicContact CB-CD1 3.65Å; E47-Y68 HydrophobicContact CB-CE1 4.28Å; E47-Y68 HydrophobicContact CB-CG 4.41Å; E47-Y68 HydrophobicContact CG-CD1 4.28Å; E47-Y68 PolarHBondContact OE2-N 3.29Å; A54-Y68 HydrophobicContact CB-CD2 3.96Å; A54-Y68 HydrophobicContact CB-CE2 3.67Å |
| 69 | L | 77.3 | Confident | 68.8 | Low | 28 Ų | 28 | 74.9 Ų | 74.9 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.5 | 175.1 | -77.2 | 161.9 | 0 | 0 | 0 | 110.8 | V62 H64 L71 I271 | V62-L69 PolarHBondContact N-O 3.48Å; V62-L69 PolarHBondContact O-N 3.28Å; H64-L69 HydrophobicContact CB-CD1 4.05Å; H64-L69 HydrophobicContact CB-CG 4.3Å; L69-L71 HydrophobicContact CB-CG 4.44Å; L69-I271 HydrophobicContact CD1-CB 4.32Å; L69-I271 HydrophobicContact CD2-CB 3.94Å; L69-I271 HydrophobicContact CD2-CG2 3.98Å |
| 70 | C | 81.2 | Confident | 66.8 | Low | 48 Ų | 48 | 76.7 Ų | 76.7 | 32% | 0.324 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 103.2 | 173.8 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | C55 M59 | C55-C70 WeakPolarHBondContact CA-SG 3.38Å; C55-C70 HydrophobicContact CB-CB 3.72Å; C55-C70 WeakPolarHBondContact CB-SG 3.45Å; C55-C70 WeakPolarHBondContact SG-CA 3.22Å; C55-C70 WeakPolarHBondContact SG-CB 3.32Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.94Å; M59-C70 HydrophobicContact CB-CB 4.19Å; M59-C70 HydrophobicContact SD-CB 4.03Å |
| 71 | L | 73.7 | Confident | 64.3 | Low | 8 Ų | 8 | 76.8 Ų | 76.8 | 4% | 0.042 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 147.3 | -174.3 | -62 | -177.3 | 0 | 0 | 0 | 112.7 | M59 K60 V62 L69 A75 I77 I271 I276 | M59-L71 CarbonylContact C-O 3.52Å; M59-L71 WeakPolarHBondContact CA-O 3.06Å; M59-L71 WeakPolarHBondContact CB-O 3.31Å; K60-L71 PolarHBondContact N-O 2.91Å; K60-L71 PolarHBondContact O-N 2.95Å; V62-L71 HydrophobicContact CG2-CD1 4.22Å; L69-L71 HydrophobicContact CB-CG 4.44Å; L71-A75 HydrophobicContact CB-CB 4.16Å; L71-A75 HydrophobicContact CD1-CB 4.42Å; L71-I77 HydrophobicContact CD1-CD1 3.53Å; L71-I77 HydrophobicContact CD1-CG1 3.42Å; L71-I77 VanDerWaalsContact CD1-CG1 3.42Å; L71-I271 HydrophobicContact CD2-CG2 4.24Å; L71-I276 HydrophobicContact CD2-CD1 4.12Å |
| 72 | P | 68.4 | Low | 61.8 | Low | 37 Ų | 37 | 83.9 Ų | 83.9 | 24% | 0.24 | 44% | 0.438 | C | S | . | . | trans | -54.8 | 143.8 | 163.9 | -22 | 33.1 | 0 | 0 | 0 | 110.5 | T74 A75 | P72-T74 PolarHBondContact O-N 3.02Å; P72-A75 WeakPolarHBondContact O-CB 3.46Å; P72-A75 PolarHBondContact O-N 2.85Å | ||
| 73 | K | 65.3 | Low | 59 | Low | 175 Ų | 175 | 90.9 Ų | 90.9 | 76% | 0.761 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.6 | 179.8 | -73.3 | -178.6 | 172.4 | 172.2 | 0 | 114.4 | G58 | G58-K73 WeakPolarHBondContact O-CE 3.33Š|
| 74 | T | 60.1 | Low | 56.3 | Low | 123 Ų | 123 | 94.4 Ų | 94.4 | 76% | 0.755 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.9 | 176.9 | 44.8 | 0 | 0 | 0 | 0 | 114.1 | P72 | P72-T74 PolarHBondContact O-N 3.02Š|
| 75 | A | 51.9 | Low | 53.8 | Low | 34 Ų | 34 | 100.9 Ų | 100.9 | 28% | 0.281 | 53% | 0.525 | S | S | . | . | trans | -77.2 | 128.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L71 P72 I276 | L71-A75 HydrophobicContact CB-CB 4.16Å; L71-A75 HydrophobicContact CD1-CB 4.42Å; P72-A75 WeakPolarHBondContact O-CB 3.46Å; P72-A75 PolarHBondContact O-N 2.85Å; A75-I276 HydrophobicContact CB-CD1 4.18Å | ||
| 76 | Q | 47.6 | Very low | 51.4 | Low | 150 Ų | 150 | 101.6 Ų | 101.6 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | trans | -104.8 | 111.9 | 168.3 | -69.2 | -171.5 | -4 | 0 | 0 | 109.9 | I78 R289 | Q76-I78 PolarHBondContact O-N 3.14Å; Q76-R289 PolarHBondContact O-NH1 2.86Å | ||
| 77 | I | 48 | Very low | 49.3 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 37% | 0.374 | 56% | 0.561 | S | S | . | * | trans | -67.8 | 121.7 | 173 | -57 | 163.6 | 0 | 0 | 0 | 108.6 | V62 L71 V79 | V62-I77 HydrophobicContact CB-CD1 3.98Å; V62-I77 HydrophobicContact CG1-CD1 3.58Å; V62-I77 HydrophobicContact CG2-CD1 3.86Å; L71-I77 HydrophobicContact CD1-CD1 3.53Å; L71-I77 HydrophobicContact CD1-CG1 3.42Å; L71-I77 VanDerWaalsContact CD1-CG1 3.42Å; I77-V79 HydrophobicContact CG2-CG2 3.89Å | ||
| 78 | I | 43.1 | Very low | 46.9 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 47% | 0.472 | 59% | 0.589 | S | S | . | * | trans | -89.2 | 116.8 | 152 | -68 | 173.5 | 0 | 0 | 0 | 105.7 | Q76 N80 | Q76-I78 PolarHBondContact O-N 3.14Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.4Å; I78-N80 PolarHBondContact O-N 2.87Å | ||
| 79 | V | 36.8 | Very low | 44.6 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 67% | 0.667 | 61% | 0.605 | S | S | * | * | trans | -77.3 | 110.4 | 164.7 | -175.3 | 0 | 0 | 0 | 0 | 105.9 | I77 N81 | I77-V79 HydrophobicContact CG2-CG2 3.89Å; V79-N81 HydrophobicContact CG1-CB 3.86Å; V79-N81 PolarHBondContact O-N 2.72Å | ||
| 80 | N | 32.4 | Very low | 42.4 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 72% | 0.717 | 64% | 0.638 | S | S | * | * | trans | -73.9 | 59.7 | 174.1 | -81.2 | -25.3 | 0 | 0 | 0 | 110.5 | I78 | I78-N80 WeakPolarHBondContact CG2-OD1 3.4Å; I78-N80 PolarHBondContact O-N 2.87Å | ||
| 81 | N | 30 | Very low | 40 | Very low | 129 Ų | 129 | 122 Ų | 122 | 69% | 0.69 | 66% | 0.661 | S | S | * | * | trans | -154 | 64.1 | -179 | -142 | 15.3 | 0 | 0 | 0 | 111.9 | V79 | V79-N81 HydrophobicContact CG1-CB 3.86Å; V79-N81 PolarHBondContact O-N 2.72Å | ||
| 82 | E | 29.2 | Very low | 38.1 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | trans | -166.4 | 124.2 | 147.4 | -109.1 | 165 | 164.9 | 0 | 0 | 109.5 | ||||
| 83 | Q | 24.9 | Very low | 36.3 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -65 | 134.2 | 165.8 | -66 | 176.4 | -81.1 | 0 | 0 | 107.8 | Q85 | Q83-Q85 PolarHBondContact O-N 2.85Š| ||
| 84 | P | 24.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -60.2 | 112.7 | 169.7 | -18.4 | 30.5 | 0 | 0 | 0 | 108.4 | Q86 | P84-Q86 PolarHBondContact O-N 2.95Š| ||
| 85 | Q | 26.7 | Very low | 33.5 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -60.7 | 121.7 | 170.2 | -68.8 | -174.5 | 3.2 | 0 | 0 | 107.5 | Q83 E87 | Q83-Q85 PolarHBondContact O-N 2.85Å; Q85-E87 PolarHBondContact O-N 2.82Å | ||
| 86 | Q | 25.8 | Very low | 32.6 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -69.4 | 96.3 | 179.7 | -70 | 177.2 | -80.6 | 0 | 0 | 109.7 | P84 T88 | P84-Q86 PolarHBondContact O-N 2.95Å; Q86-T88 PolarHBondContact O-N 3.11Å | ||
| 87 | E | 27.5 | Very low | 32 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -69.9 | 99 | 159.4 | -73.7 | -165.3 | 127.1 | 0 | 0 | 108.9 | Q85 P89 | Q85-E87 PolarHBondContact O-N 2.82Å; E87-P89 VanDerWaalsContact O-CD 3.31Å; E87-P89 WeakPolarHBondContact O-CD 3.45Å | ||
| 88 | T | 28.2 | Very low | 31.4 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72 | 120.4 | 171.1 | 46.9 | 0 | 0 | 0 | 0 | 111 | Q86 | Q86-T88 PolarHBondContact O-N 3.11Š|
| 89 | P | 34.5 | Very low | 31.1 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 137.2 | 161.1 | 32.6 | -30.3 | 0 | 0 | 0 | 110 | E87 | E87-P89 VanDerWaalsContact O-CD 3.31Å; E87-P89 WeakPolarHBondContact O-CD 3.45Å |
| 90 | P | 31.3 | Very low | 31.1 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 159.9 | 173.7 | 30.9 | -34 | 0 | 0 | 0 | 111.9 | ||
| 91 | A | 29.5 | Very low | 31.3 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 146.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 92 | E | 34.1 | Very low | 31.6 | Very low | 203 Ų | 203 | 132.5 Ų | 132.5 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -179.5 | 141.5 | 145.5 | -102.4 | 169.9 | -160.7 | 0 | 0 | 107 | ||||
| 93 | G | 31 | Very low | 32 | Very low | 62 Ų | 62 | 128.3 Ų | 128.3 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | -179.7 | 141.9 | -9.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 94 | T | 32.7 | Very low | 32.4 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 60.5 | 118 | 158.9 | 42.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 95 | S | 34.2 | Very low | 33 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 63.4 | 138.8 | 137.2 | 65.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 96 | G | 32.6 | Very low | 33.5 | Very low | 70 Ų | 70 | 120.8 Ų | 120.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | cis | 158.2 | 165.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 97 | A | 35 | Very low | 33.9 | Very low | 97 Ų | 97 | 121 Ų | 121 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 67.6 | 145.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 98 | T | 36.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | cis | -166.9 | 143.1 | -7.8 | 17.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 99 | T | 36.7 | Very low | 34.6 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 58 | 137.8 | 141.2 | 59.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 100 | G | 35.2 | Very low | 34.6 | Very low | 65 Ų | 65 | 117.2 Ų | 117.2 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 139.8 | 94.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 101 | V | 36.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 114.4 Ų | 114.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | 51 | 120.7 | 60.5 | -163.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 102 | V | 37.8 | Very low | 34.9 | Very low | 141 Ų | 141 | 116.3 Ų | 116.3 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | cis | -140.4 | -179.5 | 41.3 | -131.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 103 | A | 35.6 | Very low | 35 | Very low | 94 Ų | 94 | 114.7 Ų | 114.7 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | cis | -154.8 | -168.6 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 104 | A | 33.8 | Very low | 35.2 | Very low | 93 Ų | 93 | 117.5 Ų | 117.5 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -140.8 | 155.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 105 | S | 37.9 | Very low | 35.2 | Very low | 122 Ų | 122 | 114.8 Ų | 114.8 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 173.5 | 150.8 | 162.8 | -81 | 0 | 0 | 0 | 0 | 109 | ||||
| 106 | S | 37.4 | Very low | 35.1 | Very low | 112 Ų | 112 | 113 Ų | 113 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | cis | -166.8 | 148.2 | -5.9 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 107 | M | 34 | Very low | 35 | Very low | 186 Ų | 186 | 112.7 Ų | 112.7 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -18.7 | 143.8 | 163.8 | -64 | 170.1 | 164.9 | 0 | 0 | 122.8 | ||||
| 108 | A | 36.6 | Very low | 34.7 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | 178.8 | 118.5 | 126 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 109 | T | 32.9 | Very low | 34.3 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | 65 | 105.3 | 54.6 | 66.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 110 | S | 34.5 | Very low | 33.8 | Very low | 128 Ų | 128 | 117 Ų | 117 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | 130.7 | 139.3 | 130.4 | -64.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 111 | G | 34.9 | Very low | 33.6 | Very low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 117.5 | 85.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 112 | V | 33.5 | Very low | 33.2 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | 63.3 | 105.4 | 63.3 | -174 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 113 | L | 35.1 | Very low | 33 | Very low | 169 Ų | 169 | 115.9 Ų | 115.9 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -172.3 | 132.6 | 134.5 | -101.6 | 163.5 | 0 | 0 | 0 | 110.3 | ||||
| 114 | P | 35.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -111.4 | 164.2 | -178 | 39.8 | -32.5 | 0 | 0 | 0 | 114.2 | ||||
| 115 | G | 33.2 | Very low | 32.7 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 167.5 | 119.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 116 | G | 31.8 | Very low | 32.6 | Very low | 85 Ų | 85 | 117.6 Ų | 117.6 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | 79.3 | 119.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 117 | G | 30 | Very low | 32.3 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | cis | 109.2 | 84.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 118 | F | 29 | Very low | 32.3 | Very low | 217 Ų | 217 | 112.7 Ų | 112.7 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -148.2 | 147 | 150.9 | -81.4 | -66.2 | 0 | 0 | 0 | 110 | ||||
| 119 | V | 28.5 | Very low | 32 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -136.3 | 143.5 | -173.4 | -158.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 120 | A | 26.9 | Very low | 31.8 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | 56.6 | 127.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 121 | S | 30.3 | Very low | 31.7 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | -161.3 | 135.8 | 116.2 | -81.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 122 | A | 28.6 | Very low | 31.7 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -76.4 | 142.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 123 | A | 32.7 | Very low | 31.7 | Very low | 88 Ų | 88 | 119 Ų | 119 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -135.2 | 98 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 124 | A | 28.8 | Very low | 31.8 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -70.7 | 125.2 | 161 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 125 | V | 34.5 | Very low | 31.8 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -112.2 | 111.5 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 126 | A | 36 | Very low | 32 | Very low | 103 Ų | 103 | 126 Ų | 126 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -102.7 | 116.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 127 | G | 32.4 | Very low | 32.2 | Very low | 65 Ų | 65 | 130.8 Ų | 130.8 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | 69.3 | 179.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 128 | P | 34 | Very low | 32.4 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | cis | -114 | -178.3 | 5.2 | 39.5 | -28 | 0 | 0 | 0 | 114.7 | ||||
| 129 | E | 28.6 | Very low | 32.6 | Very low | 179 Ų | 179 | 128.8 Ų | 128.8 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -64.7 | 173.8 | -179.7 | -60.6 | 155.8 | 90.6 | 0 | 0 | 115.4 | ||||
| 130 | V | 30.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | 128.8 | 92.5 | 137.3 | 178.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 131 | Q | 30.6 | Very low | 33.2 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | 178 | 92.4 | 127.3 | -98 | 161.3 | 28.5 | 0 | 0 | 112.2 | |||||
| 132 | A | 35.1 | Very low | 33.4 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -118.7 | 113.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | R134 | A132-R134 PolarHBondContact O-N 2.74Š| ||
| 133 | G | 33.9 | Very low | 34 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -81.1 | 115.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 134 | R | 37.1 | Very low | 34.3 | Very low | 227 Ų | 227 | 142.3 Ų | 142.3 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | 53 | 131.1 | 135.5 | -96.7 | -173.5 | 162.6 | 153.9 | -2.3 | 121.1 | A132 | A132-R134 PolarHBondContact O-N 2.74Š| ||
| 135 | N | 36.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | trans | 84.4 | 89.3 | 143.2 | -55 | -12.8 | 0 | 0 | 0 | 118.7 | ||||
| 136 | N | 37.4 | Very low | 35.3 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | -156.4 | 110.5 | 101.8 | -100.6 | -25.8 | 0 | 0 | 0 | 111.9 | V138 | N136-V138 PolarHBondContact O-N 3.34Š| |||
| 137 | F | 34.3 | Very low | 35.3 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -95.5 | 95.6 | -175.2 | -153.6 | -123.4 | 0 | 0 | 0 | 109.7 | I139 | F137-I139 HydrophobicContact CD1-CD1 3.79Å; F137-I139 HydrophobicContact CD1-CG1 3.48Å; F137-I139 VanDerWaalsContact CD1-CG1 3.48Å; F137-I139 HydrophobicContact CE1-CD1 3.44Å; F137-I139 VanDerWaalsContact CE1-CD1 3.44Å; F137-I139 HydrophobicContact CE1-CG1 3.39Å; F137-I139 HydrophobicContact CG-CG1 4.34Å; F137-I139 HydrophobicContact CZ-CD1 4.42Å; F137-I139 HydrophobicContact CZ-CG1 4.17Å | ||
| 138 | V | 35.9 | Very low | 35.5 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -101.9 | 88.4 | 168.7 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | N136 R140 | N136-V138 PolarHBondContact O-N 3.34Å; V138-R140 PolarHBondContact O-N 3.38Å | ||
| 139 | I | 32.2 | Very low | 35.7 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 61% | 0.61 | 80% | 0.799 | S | S | * | * | trans | -67.2 | 102.1 | 169.4 | -45.7 | 174.3 | 0 | 0 | 0 | 108.2 | F137 | F137-I139 HydrophobicContact CD1-CD1 3.79Å; F137-I139 HydrophobicContact CD1-CG1 3.48Å; F137-I139 VanDerWaalsContact CD1-CG1 3.48Å; F137-I139 HydrophobicContact CE1-CD1 3.44Å; F137-I139 VanDerWaalsContact CE1-CD1 3.44Å; F137-I139 HydrophobicContact CE1-CG1 3.39Å; F137-I139 HydrophobicContact CG-CG1 4.34Å; F137-I139 HydrophobicContact CZ-CD1 4.42Å; F137-I139 HydrophobicContact CZ-CG1 4.17Å | ||
| 140 | R | 33.9 | Very low | 36.2 | Very low | 227 Ų | 227 | 151.2 Ų | 151.2 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 117.4 | 153.1 | -71.4 | -164.5 | -174 | -102.4 | 3.5 | 107.6 | V138 N142 | V138-R140 PolarHBondContact O-N 3.38Å; R140-N142 PolarHBondContact O-N 2.89Å |
| 141 | R | 34.8 | Very low | 36.6 | Very low | 225 Ų | 225 | 150.5 Ų | 150.5 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.8 | -176.9 | -61.7 | 174.6 | 178.1 | 179.5 | -2.6 | 109.8 | P143 | R141-P143 WeakPolarHBondContact O-CD 3.38Š|
| 142 | N | 34.3 | Very low | 37.3 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.5 | 150.5 | -90.4 | 2.2 | 0 | 0 | 0 | 107.7 | R140 A144 | R140-N142 PolarHBondContact O-N 2.89Å; N142-A144 PolarHBondContact O-N 3.28Å |
| 143 | P | 41.2 | Very low | 37.9 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 112.5 | 159.3 | -1.4 | 20.2 | 0 | 0 | 0 | 107.1 | R141 | R141-P143 WeakPolarHBondContact O-CD 3.38Š| ||
| 144 | A | 38.7 | Very low | 38.9 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 141.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N142 | N142-A144 PolarHBondContact O-N 3.28Š| ||
| 145 | D | 37.7 | Very low | 39.7 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -0.2 | 118 | 155.5 | -176.2 | 20.5 | 0 | 0 | 0 | 117.9 | Q147 | D145-Q147 PolarHBondContact OD1-N 2.84Š| ||
| 146 | P | 46.2 | Very low | 40.9 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -110.9 | 103.4 | 145.9 | 32.7 | -21.9 | 0 | 0 | 0 | 110.6 | R148 | P146-R148 PolarHBondContact O-N 2.75Š| ||
| 147 | Q | 36.4 | Very low | 42.5 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -52 | 125.1 | 174.6 | -66.4 | -167.1 | -9.5 | 0 | 0 | 112.3 | D145 | D145-Q147 PolarHBondContact OD1-N 2.84Š| ||
| 148 | R | 35.9 | Very low | 44.6 | Very low | 236 Ų | 236 | 145.8 Ų | 145.8 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -150.5 | 96 | 155.2 | -117.4 | 177.2 | -157.3 | -106.6 | 0.8 | 111.7 | P146 P150 | P146-R148 PolarHBondContact O-N 2.75Å; R148-P150 WeakPolarHBondContact O-CD 3.46Å | ||
| 149 | I | 38.3 | Very low | 46.9 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 82% | 0.821 | 73% | 0.727 | S | S | * | * | trans | -65.7 | 124.4 | 159.7 | -60.7 | 161.5 | 0 | 0 | 0 | 107 | ||||
| 150 | P | 39.7 | Very low | 49.4 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | -141.5 | 120.9 | 118.7 | 27.1 | -8.2 | 0 | 0 | 0 | 114.1 | R148 | R148-P150 WeakPolarHBondContact O-CD 3.46Š| |||
| 151 | S | 38.5 | Very low | 51.8 | Low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | 36.5 | 89.1 | 138.2 | 62.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 152 | N | 45.2 | Very low | 54.1 | Low | 121 Ų | 121 | 123 Ų | 123 | 65% | 0.647 | 69% | 0.689 | S | S | * | * | -164.2 | 100.7 | 128.8 | -165.5 | -4.6 | 0 | 0 | 0 | 112.4 | S154 | N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 2.97Å; N152-S154 VanDerWaalsContact O-N 3.08Å | |||
| 153 | P | 47.9 | Very low | 56.8 | Low | 129 Ų | 129 | 119 Ų | 119 | 84% | 0.838 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 66.8 | 179.4 | 36.4 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 154 | S | 54.6 | Low | 58.9 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.4 | -5.2 | 178.4 | -74.4 | 0 | 0 | 0 | 0 | 116.7 | N152 R156 | N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 2.97Å; N152-S154 VanDerWaalsContact O-N 3.08Å; S154-R156 PolarHBondContact O-N 2.66Å |
| 155 | H | 55.2 | Low | 61.1 | Low | 153 Ų | 153 | 116.8 Ų | 116.8 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | trans | -96 | 95.9 | -174.5 | -147.5 | -88.7 | 0 | 0 | 0 | 112.3 | I157 | H155-I157 PolarHBondContact O-N 3.4Š| ||
| 156 | R | 60.3 | Low | 63.2 | Low | 212 Ų | 212 | 112.5 Ų | 112.5 | 80% | 0.8 | 61% | 0.605 | S | S | * | * | trans | -60.5 | 120.9 | 168.6 | -167.1 | -175.5 | -166.6 | -155.3 | 3.6 | 108.9 | S154 | S154-R156 PolarHBondContact O-N 2.66Š| ||
| 157 | I | 70.9 | Confident | 64.7 | Low | 69 Ų | 69 | 115.6 Ų | 115.6 | 35% | 0.354 | 61% | 0.609 | S | S | . | * | trans | -79.8 | 134.2 | 178.3 | -62.4 | 176.7 | 0 | 0 | 0 | 108.3 | H155 C159 N169 | H155-I157 PolarHBondContact O-N 3.4Å; I157-C159 PolarHBondContact O-N 2.79Å; I157-N169 HydrophobicContact CD1-CB 3.94Å; I157-N169 VanDerWaalsContact CD1-O 3.22Å; I157-N169 WeakPolarHBondContact CD1-O 3.43Å | ||
| 158 | Q | 79.9 | Confident | 66.7 | Low | 195 Ų | 195 | 115.3 Ų | 115.3 | 91% | 0.911 | 61% | 0.608 | S | S | * | * | trans | -82.1 | 98.2 | 169.5 | -69.3 | -178 | -4.6 | 0 | 0 | 108.3 | ||||
| 159 | C | 83.1 | Confident | 68.8 | Low | 33 Ų | 33 | 108.8 Ų | 108.8 | 22% | 0.223 | 59% | 0.59 | C | S | . | * | P | Polyproline II helix | trans | -71.4 | 154.1 | 170.7 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | I157 Y163 C171 | I157-C159 PolarHBondContact O-N 2.79Å; C159-Y163 WeakPolarHBondContact CB-O 3.49Å; C159-C171 WeakPolarHBondContact CA-SG 3.33Å; C159-C171 HydrophobicContact CB-CB 3.79Å; C159-C171 WeakPolarHBondContact CB-SG 3.48Å; C159-C171 WeakPolarHBondContact SG-CA 3.45Å; C159-C171 WeakPolarHBondContact SG-CB 3.46Å; C159-C171 CovalentContact SG-SG 2.04Å; C159-C171 PolarHBondContact SG-SG 2.74Å |
| 160 | A | 84.1 | Confident | 71 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 56% | 0.562 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 162.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G162 Y163 | A160-G162 PolarHBondContact O-N 2.84Å; A160-Y163 HydrophobicContact CB-CD2 4.09Å; A160-Y163 PolarHBondContact O-N 2.84Å; A160-Y163 VanDerWaalsContact O-N 3.07Å |
| 161 | A | 85.4 | Confident | 73.3 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 80% | 0.802 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 138.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 162 | G | 83.3 | Confident | 75.7 | Confident | 15 Ų | 15 | 102.8 Ų | 102.8 | 16% | 0.155 | 55% | 0.548 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 4.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A160 I174 | A160-G162 PolarHBondContact O-N 2.84Å; G162-I174 PolarHBondContact O-N 2.9Å |
| 163 | Y | 89.6 | Confident | 77.9 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 29% | 0.29 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.1 | 179.2 | -65.1 | -100.6 | 0 | 0 | 0 | 112.6 | C159 A160 C171 Q172 D173 R194 G195 | C159-Y163 WeakPolarHBondContact CB-O 3.49Å; A160-Y163 HydrophobicContact CB-CD2 4.09Å; A160-Y163 PolarHBondContact O-N 2.84Å; A160-Y163 VanDerWaalsContact O-N 3.07Å; Y163-C171 HydrophobicContact CD1-CB 4.48Å; Y163-Q172 CarbonylContact C-O 3.59Å; Y163-Q172 WeakPolarHBondContact CA-O 3.35Å; Y163-Q172 WeakPolarHBondContact CB-O 3.24Å; Y163-D173 HydrophobicContact CE1-CB 4.45Å; Y163-R194 PolarHBondContact OH-O 2.94Å; Y163-G195 PolarHBondContact OH-N 3.25Å |
| 164 | E | 86.8 | Confident | 79.9 | Confident | 110 Ų | 110 | 94.7 Ų | 94.7 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 158.6 | 174.5 | 64.5 | 172.2 | -164 | 0 | 0 | 112.7 | C171 Q172 I174 | E164-C171 CarbonylContact O-C 3.59Å; E164-C171 VanDerWaalsContact O-CA 3.31Å; E164-C171 WeakPolarHBondContact O-CA 3.27Å; E164-Q172 PolarHBondContact N-O 2.98Å; E164-Q172 PolarHBondContact O-N 2.85Å; E164-I174 HydrophobicContact CB-CD1 4.22Å; E164-I174 HydrophobicContact CB-CG1 3.82Å; E164-I174 HydrophobicContact CG-CG1 3.87Å |
| 165 | Q | 83.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 92.3 Ų | 92.3 | 29% | 0.285 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 111 | -178.5 | -175.9 | 177.9 | 7.2 | 0 | 0 | 110.1 | N169 | Q165-N169 PolarHBondContact NE2-OD1 2.04Å |
| 166 | S | 81.6 | Confident | 83.5 | Confident | 29 Ų | 29 | 86 Ų | 86 | 20% | 0.203 | 45% | 0.447 | C | S | . | . | trans | -69.8 | 166.9 | 174.8 | 75.5 | 0 | 0 | 0 | 0 | 112.5 | H168 N169 V170 | S166-H168 PolarHBondContact O-N 2.82Å; S166-H168 PolarHBondContact OG-N 3.04Å; S166-N169 PolarHBondContact O-N 3.4Å; S166-V170 PolarHBondContact N-O 2.77Å; S166-V170 PolarHBondContact OG-N 2.85Å; S166-V170 PolarHBondContact OG-O 3.41Å | ||
| 167 | E | 78.5 | Confident | 85 | Confident | 190 Ų | 190 | 77.6 Ų | 77.6 | 89% | 0.888 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.1 | 176.3 | -61.2 | -167.8 | 153.9 | 0 | 0 | 114.1 | ||
| 168 | H | 78.8 | Confident | 86 | Confident | 154 Ų | 154 | 79.9 Ų | 79.9 | 71% | 0.713 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 13.3 | 178.9 | -60.8 | -28.6 | 0 | 0 | 0 | 114 | S166 V170 | S166-H168 PolarHBondContact O-N 2.82Å; S166-H168 PolarHBondContact OG-N 3.04Å; H168-V170 VanDerWaalsContact C-N 3.27Å; H168-V170 HydrophobicContact CB-CG2 4.27Å; H168-V170 PolarHBondContact O-N 3.09Å |
| 169 | N | 79.9 | Confident | 86.5 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 56.8 | 39.4 | -173 | -60.4 | -51.2 | 0 | 0 | 0 | 112.6 | I157 Q165 S166 | I157-N169 HydrophobicContact CD1-CB 3.94Å; I157-N169 VanDerWaalsContact CD1-O 3.22Å; I157-N169 WeakPolarHBondContact CD1-O 3.43Å; Q165-N169 PolarHBondContact NE2-OD1 2.04Å; S166-N169 PolarHBondContact O-N 3.4Å |
| 170 | V | 84.9 | Confident | 86.7 | Confident | 86 Ų | 86 | 74.6 Ų | 74.6 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | trans | -112.1 | 133.7 | 173.5 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | S166 H168 Q172 | S166-V170 PolarHBondContact N-O 2.77Å; S166-V170 PolarHBondContact OG-N 2.85Å; S166-V170 PolarHBondContact OG-O 3.41Å; H168-V170 VanDerWaalsContact C-N 3.27Å; H168-V170 HydrophobicContact CB-CG2 4.27Å; H168-V170 PolarHBondContact O-N 3.09Å; V170-Q172 PolarHBondContact O-N 3.32Å; V170-Q172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | C | 86.9 | Confident | 87 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 104.7 | 171.4 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | C159 Y163 E164 | C159-C171 WeakPolarHBondContact CA-SG 3.33Å; C159-C171 HydrophobicContact CB-CB 3.79Å; C159-C171 WeakPolarHBondContact CB-SG 3.48Å; C159-C171 WeakPolarHBondContact SG-CA 3.45Å; C159-C171 WeakPolarHBondContact SG-CB 3.46Å; C159-C171 CovalentContact SG-SG 2.04Å; C159-C171 PolarHBondContact SG-SG 2.74Å; Y163-C171 HydrophobicContact CD1-CB 4.48Å; E164-C171 CarbonylContact O-C 3.59Å; E164-C171 VanDerWaalsContact O-CA 3.31Å; E164-C171 WeakPolarHBondContact O-CA 3.27Å |
| 172 | Q | 89.7 | Confident | 87.2 | Confident | 115 Ų | 115 | 74.1 Ų | 74.1 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 147.7 | 174.4 | -178.5 | 168.9 | -29.5 | 0 | 0 | 109.4 | Y163 E164 V170 | Y163-Q172 CarbonylContact C-O 3.59Å; Y163-Q172 WeakPolarHBondContact CA-O 3.35Å; Y163-Q172 WeakPolarHBondContact CB-O 3.24Å; E164-Q172 PolarHBondContact N-O 2.98Å; E164-Q172 PolarHBondContact O-N 2.85Å; V170-Q172 PolarHBondContact O-N 3.32Å; V170-Q172 VanDerWaalsContact O-N 3.14Å |
| 173 | D | 91.1 | Very high | 87.5 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 19% | 0.187 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 129.8 | 171.4 | -168.7 | 44.3 | 0 | 0 | 0 | 111.2 | Y163 D175 N192 R194 G195 | Y163-D173 HydrophobicContact CE1-CB 4.45Å; D173-D175 PolarHBondContact O-N 2.83Å; D173-N192 PolarHBondContact OD2-ND2 3.18Å; D173-R194 VanDerWaalsContact OD1-CA 3.3Å; D173-R194 WeakPolarHBondContact OD1-CA 3.41Å; D173-G195 PolarHBondContact OD1-N 2.03Å |
| 174 | I | 89.7 | Confident | 87.5 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 23% | 0.226 | 43% | 0.43 | C | S | . | . | trans | -79 | 113.7 | 171.5 | -61.3 | 170.6 | 0 | 0 | 0 | 106.7 | G162 E164 E176 N192 | G162-I174 PolarHBondContact O-N 2.9Å; E164-I174 HydrophobicContact CB-CD1 4.22Å; E164-I174 HydrophobicContact CB-CG1 3.82Å; E164-I174 HydrophobicContact CG-CG1 3.87Å; I174-E176 VanDerWaalsContact C-N 3.34Å; I174-E176 HydrophobicContact CG2-CG 4.03Å; I174-E176 PolarHBondContact O-N 2.91Å; I174-N192 PolarHBondContact O-OD1 2.81Å | ||
| 175 | D | 91.7 | Very high | 87.6 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 28% | 0.283 | 43% | 0.425 | S | S | . | . | trans | -74.8 | 89.9 | 169.9 | 178.2 | -0.1 | 0 | 0 | 0 | 109.5 | D173 C177 T178 A179 N192 | D173-D175 PolarHBondContact O-N 2.83Å; D175-C177 PolarHBondContact O-N 3.5Å; D175-C177 VanDerWaalsContact O-N 3.13Å; D175-C177 WeakPolarHBondContact OD1-CA 3.33Å; D175-C177 VanDerWaalsContact OD1-CB 3.28Å; D175-C177 WeakPolarHBondContact OD1-CB 3.03Å; D175-C177 PolarHBondContact OD1-N 2.8Å; D175-T178 WeakPolarHBondContact CB-OG1 3.36Å; D175-T178 PolarHBondContact O-N 2.83Å; D175-T178 PolarHBondContact O-OG1 2.93Å; D175-T178 PolarHBondContact OD1-N 2.9Å; D175-T178 VanDerWaalsContact OD1-N 3.1Å; D175-T178 WeakPolarHBondContact OD2-CB 3.39Å; D175-T178 VanDerWaalsContact OD2-CG2 3.23Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.27Å; D175-T178 PolarHBondContact OD2-OG1 2.85Å; D175-A179 VanDerWaalsContact O-CB 3.28Å; D175-A179 WeakPolarHBondContact O-CB 3.02Å; D175-A179 PolarHBondContact O-N 2.94Å; D175-N192 WeakPolarHBondContact OD1-CB 3.28Å | ||
| 176 | E | 93 | Very high | 87.8 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 10% | 0.098 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64 | -18.4 | -178.5 | -61.8 | 108.5 | 156.8 | 0 | 0 | 112.8 | I174 G180 T181 H182 F197 | I174-E176 VanDerWaalsContact C-N 3.34Å; I174-E176 HydrophobicContact CG2-CG 4.03Å; I174-E176 PolarHBondContact O-N 2.91Å; E176-G180 PolarHBondContact O-N 2.78Å; E176-T181 WeakPolarHBondContact CA-OG1 3.47Å; E176-T181 VanDerWaalsContact CB-OG1 3.29Å; E176-T181 WeakPolarHBondContact CB-OG1 3.4Å; E176-T181 WeakPolarHBondContact CG-OG1 3.38Å; E176-T181 PolarHBondContact O-N 2.68Å; E176-T181 VanDerWaalsContact O-N 3.07Å; E176-H182 HydrophobicContact CB-CB 4.43Å; E176-H182 PolarHBondContact O-CD2 3.38Å; E176-H182 PolarHBondContact O-N 2.79Å; E176-F197 HydrophobicContact CB-CB 4.18Å; E176-F197 HydrophobicContact CB-CD1 3.76Å; E176-F197 HydrophobicContact CB-CG 4.13Å; E176-F197 HydrophobicContact CG-CD1 3.83Å; E176-F197 HydrophobicContact CG-CE1 4.47Å; E176-F197 WeakPolarHBondContact OE2-CB 3.5Å; E176-F197 PolarHBondContact OE2-N 2.96Å |
| 177 | C | 93.1 | Very high | 88.2 | Confident | 36 Ų | 36 | 81 Ų | 81 | 24% | 0.243 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -77.2 | -38.4 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | D175 C190 I191 N192 | D175-C177 PolarHBondContact O-N 3.5Å; D175-C177 VanDerWaalsContact O-N 3.13Å; D175-C177 WeakPolarHBondContact OD1-CA 3.33Å; D175-C177 VanDerWaalsContact OD1-CB 3.28Å; D175-C177 WeakPolarHBondContact OD1-CB 3.03Å; D175-C177 PolarHBondContact OD1-N 2.8Å; C177-C190 WeakPolarHBondContact CA-SG 3.36Å; C177-C190 HydrophobicContact CB-CB 3.75Å; C177-C190 WeakPolarHBondContact CB-SG 3.29Å; C177-C190 WeakPolarHBondContact SG-CB 3.05Å; C177-C190 CovalentContact SG-SG 2.04Å; C177-C190 PolarHBondContact SG-SG 3.38Å; C177-I191 VanDerWaalsContact SG-C 3.51Å; C177-I191 PolarHBondContact SG-N 3.47Å; C177-I191 VanDerWaalsContact SG-N 3.43Å; C177-N192 PolarHBondContact SG-N 2.88Å |
| 178 | T | 92.2 | Very high | 88.8 | Confident | 117 Ų | 117 | 73.6 Ų | 73.6 | 72% | 0.718 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -83.9 | -29 | 170.8 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | D175 G180 | D175-T178 WeakPolarHBondContact CB-OG1 3.36Å; D175-T178 PolarHBondContact O-N 2.83Å; D175-T178 PolarHBondContact O-OG1 2.93Å; D175-T178 PolarHBondContact OD1-N 2.9Å; D175-T178 VanDerWaalsContact OD1-N 3.1Å; D175-T178 WeakPolarHBondContact OD2-CB 3.39Å; D175-T178 VanDerWaalsContact OD2-CG2 3.23Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.27Å; D175-T178 PolarHBondContact OD2-OG1 2.85Å; T178-G180 VanDerWaalsContact C-N 3.28Å; T178-G180 PolarHBondContact O-N 2.81Å |
| 179 | A | 89.4 | Confident | 89.5 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.6 | -16.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D175 T181 | D175-A179 VanDerWaalsContact O-CB 3.28Å; D175-A179 WeakPolarHBondContact O-CB 3.02Å; D175-A179 PolarHBondContact O-N 2.94Å; A179-T181 VanDerWaalsContact C-N 3.25Å; A179-T181 HydrophobicContact CB-CG2 4.12Å; A179-T181 PolarHBondContact O-N 3Å |
| 180 | G | 87.8 | Confident | 90.2 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 57% | 0.567 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 22.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E176 T178 | E176-G180 PolarHBondContact O-N 2.78Å; T178-G180 VanDerWaalsContact C-N 3.28Å; T178-G180 PolarHBondContact O-N 2.81Å |
| 181 | T | 89.3 | Confident | 90.6 | Very high | 90 Ų | 90 | 65 Ų | 65 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | trans | -95 | -2.4 | -177.8 | 51 | 0 | 0 | 0 | 0 | 113.2 | E176 A179 | E176-T181 WeakPolarHBondContact CA-OG1 3.47Å; E176-T181 VanDerWaalsContact CB-OG1 3.29Å; E176-T181 WeakPolarHBondContact CB-OG1 3.4Å; E176-T181 WeakPolarHBondContact CG-OG1 3.38Å; E176-T181 PolarHBondContact O-N 2.68Å; E176-T181 VanDerWaalsContact O-N 3.07Å; A179-T181 VanDerWaalsContact C-N 3.25Å; A179-T181 HydrophobicContact CB-CG2 4.12Å; A179-T181 PolarHBondContact O-N 3Å | ||
| 182 | H | 89.6 | Confident | 90.9 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | trans | -66.1 | 154.5 | 173.9 | 65.3 | 77.6 | 0 | 0 | 0 | 113 | E176 C184 F197 | E176-H182 HydrophobicContact CB-CB 4.43Å; E176-H182 PolarHBondContact O-CD2 3.38Å; E176-H182 PolarHBondContact O-N 2.79Å; H182-C184 PolarHBondContact ND1-N 2.7Å; H182-F197 HydrophobicContact CB-CD1 4.47Å; H182-F197 HydrophobicContact CB-CD2 3.62Å; H182-F197 HydrophobicContact CB-CE2 3.7Å; H182-F197 HydrophobicContact CB-CG 4.04Å; H182-F197 HydrophobicContact CB-CZ 4.18Å | ||
| 183 | N | 90.5 | Very high | 91 | Very high | 135 Ų | 135 | 63.8 Ų | 63.8 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | trans | -103.9 | 17.8 | 173.5 | 69.9 | -1 | 0 | 0 | 0 | 113.9 | F197 | N183-F197 HydrophobicContact CB-CZ 4.48Å; N183-F197 WeakPolarHBondContact OD1-CE2 3.36Å; N183-F197 VanDerWaalsContact OD1-CZ 3.29Å; N183-F197 WeakPolarHBondContact OD1-CZ 3.43Å | ||
| 184 | C | 89.9 | Confident | 91 | Very high | 19 Ų | 19 | 72.8 Ų | 72.8 | 13% | 0.128 | 41% | 0.412 | C | S | . | . | trans | -57.1 | 141.9 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | H182 Q188 C199 | H182-C184 PolarHBondContact ND1-N 2.7Å; C184-Q188 HydrophobicContact CB-CB 4.26Å; C184-C199 WeakPolarHBondContact CA-SG 3.35Å; C184-C199 HydrophobicContact CB-CB 3.64Å; C184-C199 WeakPolarHBondContact CB-SG 3.43Å; C184-C199 PolarHBondContact N-SG 3.43Å; C184-C199 VanDerWaalsContact SG-CA 3.56Å; C184-C199 WeakPolarHBondContact SG-CB 3.41Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.18Å | ||
| 185 | R | 88.6 | Confident | 90.9 | Very high | 110 Ų | 110 | 71.7 Ų | 71.7 | 42% | 0.415 | 41% | 0.412 | S | S | . | . | trans | -71.5 | 162 | 174.1 | -67 | 172.1 | 156.3 | -95.8 | 1.8 | 110.7 | D187 Q188 E210 | R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 PolarHBondContact O-N 3.33Å; R185-Q188 HydrophobicContact CB-CG 4.29Å; R185-Q188 VanDerWaalsContact N-OE1 3.11Å; R185-Q188 WeakPolarHBondContact O-CB 3.06Å; R185-Q188 PolarHBondContact O-N 2.92Å; R185-E210 WeakPolarHBondContact CD-O 3.46Å; R185-E210 IonicContact CZ-OE2 3.78Å; R185-E210 PolarHBondContact NE-O 3.04Å; R185-E210 IonicContact NE-OE2 3.42Å; R185-E210 IonicContact NH2-OE2 3.2Å; R185-E210 PolarHBondContact NH2-OE2 3.02Å | ||
| 186 | A | 88 | Confident | 90.9 | Very high | 117 Ų | 117 | 72.1 Ų | 72.1 | 97% | 0.967 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 187 | D | 89.4 | Confident | 90.8 | Very high | 54 Ų | 54 | 73.5 Ų | 73.5 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 9.3 | 174.3 | 61.4 | -40.7 | 0 | 0 | 0 | 113.4 | R185 P202 Q211 C212 | R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 PolarHBondContact O-N 3.33Å; D187-P202 VanDerWaalsContact O-CD 3.3Å; D187-P202 WeakPolarHBondContact O-CD 3.17Å; D187-Q211 WeakPolarHBondContact OD2-CA 3.05Å; D187-C212 HydrophobicContact CB-CB 4.33Å; D187-C212 WeakPolarHBondContact O-CB 3.26Å; D187-C212 PolarHBondContact O-SG 2.95Å; D187-C212 VanDerWaalsContact O-SG 3.39Å; D187-C212 PolarHBondContact OD2-N 3.24Å |
| 188 | Q | 92.3 | Very high | 90.8 | Very high | 33 Ų | 33 | 73 Ų | 73 | 15% | 0.154 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -123.1 | 145.7 | -175.5 | -67.5 | 166.8 | 0.5 | 0 | 0 | 112.1 | C184 R185 C199 Q200 E210 | C184-Q188 HydrophobicContact CB-CB 4.26Å; R185-Q188 HydrophobicContact CB-CG 4.29Å; R185-Q188 VanDerWaalsContact N-OE1 3.11Å; R185-Q188 WeakPolarHBondContact O-CB 3.06Å; R185-Q188 PolarHBondContact O-N 2.92Å; Q188-C199 HydrophobicContact CB-CB 4.25Å; Q188-C199 VanDerWaalsContact OE1-CB 3.31Å; Q188-Q200 CarbonylContact C-O 3.45Å; Q188-Q200 WeakPolarHBondContact CA-O 3.39Å; Q188-E210 PolarHBondContact NE2-O 3.04Å |
| 189 | V | 92.3 | Very high | 90.8 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 42% | 0.418 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.5 | 171.5 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | Q200 P202 | V189-Q200 PolarHBondContact N-O 2.78Å; V189-Q200 PolarHBondContact O-N 2.66Å; V189-P202 HydrophobicContact CG2-CB 4.25Å; V189-P202 HydrophobicContact CG2-CG 4.02Å |
| 190 | C | 94.1 | Very high | 91 | Very high | 28 Ų | 28 | 71.3 Ų | 71.3 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.4 | 171.1 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | C177 | C177-C190 WeakPolarHBondContact CA-SG 3.36Å; C177-C190 HydrophobicContact CB-CB 3.75Å; C177-C190 WeakPolarHBondContact CB-SG 3.29Å; C177-C190 WeakPolarHBondContact SG-CB 3.05Å; C177-C190 CovalentContact SG-SG 2.04Å; C177-C190 PolarHBondContact SG-SG 3.38Å |
| 191 | I | 93.3 | Very high | 91.2 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.1 | 174.1 | -59.3 | 175.6 | 0 | 0 | 0 | 107.8 | C177 L193 A198 Q200 | C177-I191 VanDerWaalsContact SG-C 3.51Å; C177-I191 PolarHBondContact SG-N 3.47Å; C177-I191 VanDerWaalsContact SG-N 3.43Å; I191-L193 HydrophobicContact CG2-CD2 4.34Å; I191-A198 PolarHBondContact N-O 3.35Å; I191-A198 PolarHBondContact O-N 2.71Å; I191-Q200 HydrophobicContact CD1-CB 4.12Å; I191-Q200 VanDerWaalsContact CD1-CD 3.48Å; I191-Q200 HydrophobicContact CD1-CG 3.93Å |
| 192 | N | 93.4 | Very high | 91.3 | Very high | 50 Ų | 50 | 67.3 Ų | 67.3 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 137.6 | 177 | -175.2 | 39.9 | 0 | 0 | 0 | 111.3 | D173 I174 D175 C177 | D173-N192 PolarHBondContact OD2-ND2 3.18Å; I174-N192 PolarHBondContact O-OD1 2.81Å; D175-N192 WeakPolarHBondContact OD1-CB 3.28Å; C177-N192 PolarHBondContact SG-N 2.88Å |
| 193 | L | 92.4 | Very high | 91.4 | Very high | 85 Ų | 85 | 70 Ų | 70 | 45% | 0.445 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.2 | 177 | -54.1 | 173.2 | 0 | 0 | 0 | 109.1 | I191 G195 S196 A198 | I191-L193 HydrophobicContact CG2-CD2 4.34Å; L193-G195 PolarHBondContact O-N 2.85Å; L193-S196 CarbonylContact C-O 3.45Å; L193-S196 WeakPolarHBondContact CA-O 3.35Å; L193-S196 WeakPolarHBondContact CB-O 3.43Å; L193-S196 PolarHBondContact N-O 2.81Å; L193-S196 PolarHBondContact O-N 2.86Å; L193-S196 VanDerWaalsContact O-N 3.12Å; L193-A198 HydrophobicContact CD1-CB 3.73Å; L193-A198 HydrophobicContact CG-CB 4.4Å |
| 194 | R | 90.5 | Very high | 91.4 | Very high | 225 Ų | 225 | 64.3 Ų | 64.3 | 85% | 0.849 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 104 | -178 | -73.3 | -175.9 | 178.6 | 167.2 | 0.1 | 112.6 | Y163 D173 | Y163-R194 PolarHBondContact OH-O 2.94Å; D173-R194 VanDerWaalsContact OD1-CA 3.3Å; D173-R194 WeakPolarHBondContact OD1-CA 3.41Å |
| 195 | G | 87.5 | Confident | 91.6 | Very high | 21 Ų | 21 | 66.8 Ų | 66.8 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 13.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y163 D173 L193 | Y163-G195 PolarHBondContact OH-N 3.25Å; D173-G195 PolarHBondContact OD1-N 2.03Å; L193-G195 PolarHBondContact O-N 2.85Å |
| 196 | S | 91.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 170.3 | 180 | -153.6 | 0 | 0 | 0 | 0 | 112 | L193 | L193-S196 CarbonylContact C-O 3.45Å; L193-S196 WeakPolarHBondContact CA-O 3.35Å; L193-S196 WeakPolarHBondContact CB-O 3.43Å; L193-S196 PolarHBondContact N-O 2.81Å; L193-S196 PolarHBondContact O-N 2.86Å; L193-S196 VanDerWaalsContact O-N 3.12Å |
| 197 | F | 92.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 157.3 | 169.2 | 61.9 | -79.8 | 0 | 0 | 0 | 111.4 | E176 H182 N183 | E176-F197 HydrophobicContact CB-CB 4.18Å; E176-F197 HydrophobicContact CB-CD1 3.76Å; E176-F197 HydrophobicContact CB-CG 4.13Å; E176-F197 HydrophobicContact CG-CD1 3.83Å; E176-F197 HydrophobicContact CG-CE1 4.47Å; E176-F197 WeakPolarHBondContact OE2-CB 3.5Å; E176-F197 PolarHBondContact OE2-N 2.96Å; H182-F197 HydrophobicContact CB-CD1 4.47Å; H182-F197 HydrophobicContact CB-CD2 3.62Å; H182-F197 HydrophobicContact CB-CE2 3.7Å; H182-F197 HydrophobicContact CB-CG 4.04Å; H182-F197 HydrophobicContact CB-CZ 4.18Å; N183-F197 HydrophobicContact CB-CZ 4.48Å; N183-F197 WeakPolarHBondContact OD1-CE2 3.36Å; N183-F197 VanDerWaalsContact OD1-CZ 3.29Å; N183-F197 WeakPolarHBondContact OD1-CZ 3.43Å |
| 198 | A | 91.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 21% | 0.207 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I191 L193 | I191-A198 PolarHBondContact N-O 3.35Å; I191-A198 PolarHBondContact O-N 2.71Å; L193-A198 HydrophobicContact CD1-CB 3.73Å; L193-A198 HydrophobicContact CG-CB 4.4Å |
| 199 | C | 92.2 | Very high | 91.5 | Very high | 37 Ų | 37 | 74 Ų | 74 | 25% | 0.25 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.4 | 172.7 | -49.5 | 0 | 0 | 0 | 0 | 108.9 | C184 Q188 | C184-C199 WeakPolarHBondContact CA-SG 3.35Å; C184-C199 HydrophobicContact CB-CB 3.64Å; C184-C199 WeakPolarHBondContact CB-SG 3.43Å; C184-C199 PolarHBondContact N-SG 3.43Å; C184-C199 VanDerWaalsContact SG-CA 3.56Å; C184-C199 WeakPolarHBondContact SG-CB 3.41Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.18Å; Q188-C199 HydrophobicContact CB-CB 4.25Å; Q188-C199 VanDerWaalsContact OE1-CB 3.31Å |
| 200 | Q | 93.1 | Very high | 91.2 | Very high | 106 Ų | 106 | 76.7 Ų | 76.7 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 158.3 | 180 | -62.7 | -171 | 14.6 | 0 | 0 | 110.4 | Q188 V189 I191 | Q188-Q200 CarbonylContact C-O 3.45Å; Q188-Q200 WeakPolarHBondContact CA-O 3.39Å; V189-Q200 PolarHBondContact N-O 2.78Å; V189-Q200 PolarHBondContact O-N 2.66Å; I191-Q200 HydrophobicContact CD1-CB 4.12Å; I191-Q200 VanDerWaalsContact CD1-CD 3.48Å; I191-Q200 HydrophobicContact CD1-CG 3.93Å |
| 201 | C | 93.2 | Very high | 90.9 | Very high | 25 Ų | 25 | 81.1 Ų | 81.1 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 150.2 | 171.4 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | Y205 C212 | C201-Y205 WeakPolarHBondContact CB-O 3.46Å; C201-C212 WeakPolarHBondContact CA-SG 3.35Å; C201-C212 HydrophobicContact CB-CB 3.7Å; C201-C212 WeakPolarHBondContact CB-SG 3.42Å; C201-C212 WeakPolarHBondContact SG-CA 3.25Å; C201-C212 WeakPolarHBondContact SG-CB 3.37Å; C201-C212 CovalentContact SG-SG 2.04Å; C201-C212 PolarHBondContact SG-SG 3.39Å |
| 202 | P | 91.8 | Very high | 90.9 | Very high | 37 Ų | 37 | 79 Ų | 79 | 24% | 0.24 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -56 | 157 | 170.8 | -20.9 | 30.4 | 0 | 0 | 0 | 111.7 | D187 V189 G204 Y205 | D187-P202 VanDerWaalsContact O-CD 3.3Å; D187-P202 WeakPolarHBondContact O-CD 3.17Å; V189-P202 HydrophobicContact CG2-CB 4.25Å; V189-P202 HydrophobicContact CG2-CG 4.02Å; P202-G204 PolarHBondContact O-N 2.84Å; P202-Y205 HydrophobicContact CB-CD2 3.92Å; P202-Y205 HydrophobicContact CB-CE2 4.46Å; P202-Y205 HydrophobicContact CG-CD2 4.31Å; P202-Y205 WeakPolarHBondContact O-CB 3.48Å; P202-Y205 PolarHBondContact O-N 3.18Å |
| 203 | P | 90.7 | Very high | 90.9 | Very high | 120 Ų | 120 | 78.3 Ų | 78.3 | 78% | 0.779 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 138 | 168.7 | -24.6 | 34.8 | 0 | 0 | 0 | 111.3 | Y205 | P203-Y205 VanDerWaalsContact C-N 3.34Š|
| 204 | G | 90.7 | Very high | 91 | Very high | 16 Ų | 16 | 76.5 Ų | 76.5 | 17% | 0.165 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -3.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115 | P202 I215 | P202-G204 PolarHBondContact O-N 2.84Å; G204-I215 WeakPolarHBondContact O-CB 3.49Å; G204-I215 WeakPolarHBondContact O-CG1 3.26Å; G204-I215 PolarHBondContact O-N 3.07Å |
| 205 | Y | 94.2 | Very high | 91.1 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.9 | 179.8 | -66.4 | -101 | 0 | 0 | 0 | 112.4 | C201 P202 P203 V213 D214 P232 G233 | C201-Y205 WeakPolarHBondContact CB-O 3.46Å; P202-Y205 HydrophobicContact CB-CD2 3.92Å; P202-Y205 HydrophobicContact CB-CE2 4.46Å; P202-Y205 HydrophobicContact CG-CD2 4.31Å; P202-Y205 WeakPolarHBondContact O-CB 3.48Å; P202-Y205 PolarHBondContact O-N 3.18Å; P203-Y205 VanDerWaalsContact C-N 3.34Å; Y205-V213 CarbonylContact C-O 3.58Å; Y205-V213 WeakPolarHBondContact CA-O 3.24Å; Y205-D214 HydrophobicContact CD1-CB 4.46Å; Y205-D214 HydrophobicContact CE1-CB 4.24Å; Y205-P232 WeakPolarHBondContact OH-CB 3.38Å; Y205-G233 VanDerWaalsContact CE2-CA 3.45Å; Y205-G233 PolarHBondContact OH-N 3.2Å |
| 206 | Q | 91.6 | Very high | 91.3 | Very high | 85 Ų | 85 | 70 Ų | 70 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 150.3 | 174.4 | 61.3 | 177.7 | -16.8 | 0 | 0 | 111.7 | R208 V213 I215 | Q206-R208 PolarHBondContact O-N 3.27Å; Q206-V213 HydrophobicContact CG-CG2 3.79Å; Q206-V213 PolarHBondContact N-O 3.23Å; Q206-V213 PolarHBondContact O-N 3.39Å; Q206-I215 HydrophobicContact CB-CD1 4.2Å; Q206-I215 HydrophobicContact CB-CG1 3.78Å; Q206-I215 HydrophobicContact CG-CG1 3.82Å |
| 207 | K | 90.3 | Very high | 91.3 | Very high | 141 Ų | 141 | 68.6 Ų | 68.6 | 61% | 0.613 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 109.3 | 178.6 | -174 | 173.5 | -179 | 174.6 | 0 | 110.8 | G209 | K207-G209 WeakPolarHBondContact CE-O 3.48Å; K207-G209 WeakPolarHBondContact CG-O 3.35Å |
| 208 | R | 88.5 | Confident | 91.3 | Very high | 178 Ų | 178 | 68 Ų | 68 | 67% | 0.672 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 99.9 | 171.6 | -177.8 | 174.4 | -85 | 178.1 | -4.9 | 109 | Q206 E210 Q211 V213 | Q206-R208 PolarHBondContact O-N 3.27Å; R208-E210 PolarHBondContact O-N 3.11Å; R208-Q211 PolarHBondContact N-O 2.84Å; R208-Q211 PolarHBondContact O-N 2.93Å; R208-V213 HydrophobicContact CB-CB 4.43Å; R208-V213 HydrophobicContact CB-CG1 4.02Å; R208-V213 HydrophobicContact CB-CG2 3.51Å; R208-V213 HydrophobicContact CG-CG2 4.5Å |
| 209 | G | 86.6 | Confident | 91.2 | Very high | 62 Ų | 62 | 71 Ų | 71 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | -118.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111 | K207 | K207-G209 WeakPolarHBondContact CE-O 3.48Å; K207-G209 WeakPolarHBondContact CG-O 3.35Å |
| 210 | E | 84.6 | Confident | 90.9 | Very high | 126 Ų | 126 | 73.1 Ų | 73.1 | 59% | 0.589 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -5.2 | 175.7 | -63 | -162.7 | 162.7 | 0 | 0 | 114.3 | R185 Q188 R208 | R185-E210 WeakPolarHBondContact CD-O 3.46Å; R185-E210 IonicContact CZ-OE2 3.78Å; R185-E210 PolarHBondContact NE-O 3.04Å; R185-E210 IonicContact NE-OE2 3.42Å; R185-E210 IonicContact NH2-OE2 3.2Å; R185-E210 PolarHBondContact NH2-OE2 3.02Å; Q188-E210 PolarHBondContact NE2-O 3.04Å; R208-E210 PolarHBondContact O-N 3.11Å |
| 211 | Q | 89.2 | Confident | 90.6 | Very high | 121 Ų | 121 | 72.3 Ų | 72.3 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 146.2 | -177.7 | -70.1 | 174.8 | -21.6 | 0 | 0 | 111.3 | D187 R208 | D187-Q211 WeakPolarHBondContact OD2-CA 3.05Å; R208-Q211 PolarHBondContact N-O 2.84Å; R208-Q211 PolarHBondContact O-N 2.93Å |
| 212 | C | 92.2 | Very high | 90.1 | Very high | 16 Ų | 16 | 74.6 Ų | 74.6 | 11% | 0.108 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110 | 165.8 | -66.7 | 0 | 0 | 0 | 0 | 108.8 | D187 C201 | D187-C212 HydrophobicContact CB-CB 4.33Å; D187-C212 WeakPolarHBondContact O-CB 3.26Å; D187-C212 PolarHBondContact O-SG 2.95Å; D187-C212 VanDerWaalsContact O-SG 3.39Å; D187-C212 PolarHBondContact OD2-N 3.24Å; C201-C212 WeakPolarHBondContact CA-SG 3.35Å; C201-C212 HydrophobicContact CB-CB 3.7Å; C201-C212 WeakPolarHBondContact CB-SG 3.42Å; C201-C212 WeakPolarHBondContact SG-CA 3.25Å; C201-C212 WeakPolarHBondContact SG-CB 3.37Å; C201-C212 CovalentContact SG-SG 2.04Å; C201-C212 PolarHBondContact SG-SG 3.39Å |
| 213 | V | 92.9 | Very high | 89.8 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 146.4 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | Y205 Q206 R208 | Y205-V213 CarbonylContact C-O 3.58Å; Y205-V213 WeakPolarHBondContact CA-O 3.24Å; Q206-V213 HydrophobicContact CG-CG2 3.79Å; Q206-V213 PolarHBondContact N-O 3.23Å; Q206-V213 PolarHBondContact O-N 3.39Å; R208-V213 HydrophobicContact CB-CB 4.43Å; R208-V213 HydrophobicContact CB-CG1 4.02Å; R208-V213 HydrophobicContact CB-CG2 3.51Å; R208-V213 HydrophobicContact CG-CG2 4.5Å |
| 214 | D | 94.2 | Very high | 89.8 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 140 | 175 | -156.3 | 41.5 | 0 | 0 | 0 | 110.9 | Y205 N230 P232 G233 | Y205-D214 HydrophobicContact CD1-CB 4.46Å; Y205-D214 HydrophobicContact CE1-CB 4.24Å; D214-N230 PolarHBondContact OD2-ND2 2.99Å; D214-P232 WeakPolarHBondContact OD1-CA 3.14Å; D214-G233 PolarHBondContact OD1-N 2.86Å |
| 215 | I | 93 | Very high | 89.7 | Confident | 39 Ų | 39 | 78.3 Ų | 78.3 | 20% | 0.2 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 120 | 169.3 | -61.3 | 171.9 | 0 | 0 | 0 | 106.4 | G204 Q206 E217 I220 N230 | G204-I215 WeakPolarHBondContact O-CB 3.49Å; G204-I215 WeakPolarHBondContact O-CG1 3.26Å; G204-I215 PolarHBondContact O-N 3.07Å; Q206-I215 HydrophobicContact CB-CD1 4.2Å; Q206-I215 HydrophobicContact CB-CG1 3.78Å; Q206-I215 HydrophobicContact CG-CG1 3.82Å; I215-E217 VanDerWaalsContact C-N 3.27Å; I215-E217 HydrophobicContact CB-CG 4.41Å; I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 2.94Å; I215-I220 HydrophobicContact CG2-CD1 3.68Å; I215-N230 PolarHBondContact O-OD1 2.86Å |
| 216 | D | 92.3 | Very high | 89.4 | Confident | 71 Ų | 71 | 77.9 Ų | 77.9 | 38% | 0.38 | 40% | 0.402 | S | S | . | . | trans | -76.8 | 84.7 | 172.3 | -170.7 | -11.1 | 0 | 0 | 0 | 109.2 | C218 T219 N230 | D216-C218 PolarHBondContact O-N 3.4Å; D216-C218 VanDerWaalsContact OD1-CB 3.31Å; D216-C218 WeakPolarHBondContact OD1-CB 3.41Å; D216-C218 PolarHBondContact OD1-N 2.8Å; D216-T219 HydrophobicContact CB-CG2 4.23Å; D216-T219 PolarHBondContact O-N 2.83Å; D216-T219 PolarHBondContact O-OG1 3.33Å; D216-N230 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 217 | E | 92 | Very high | 89.5 | Confident | 31 Ų | 31 | 81 Ų | 81 | 15% | 0.145 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -63.9 | -18.7 | -177.5 | -71.3 | 126.6 | 175.2 | 0 | 0 | 112 | I215 T219 I220 N230 S234 F235 | I215-E217 VanDerWaalsContact C-N 3.27Å; I215-E217 HydrophobicContact CB-CG 4.41Å; I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 2.94Å; E217-T219 PolarHBondContact O-N 2.84Å; E217-I220 PolarHBondContact O-N 3.41Å; E217-N230 PolarHBondContact N-OD1 2.86Å; E217-N230 VanDerWaalsContact N-OD1 3.09Å; E217-S234 VanDerWaalsContact OE2-CA 3.28Å; E217-S234 WeakPolarHBondContact OE2-CA 3.47Å; E217-F235 HydrophobicContact CB-CB 3.98Å; E217-F235 HydrophobicContact CB-CD1 3.25Å; E217-F235 HydrophobicContact CB-CD2 4.21Å; E217-F235 HydrophobicContact CB-CE1 3.62Å; E217-F235 HydrophobicContact CB-CE2 4.49Å; E217-F235 HydrophobicContact CB-CG 3.56Å; E217-F235 HydrophobicContact CB-CZ 4.2Å; E217-F235 HydrophobicContact CG-CD1 3.72Å; E217-F235 HydrophobicContact CG-CE1 3.99Å; E217-F235 HydrophobicContact CG-CG 4.46Å; E217-F235 VanDerWaalsContact OE2-CD1 3.26Å; E217-F235 WeakPolarHBondContact OE2-CD1 3.39Å; E217-F235 PolarHBondContact OE2-N 2.95Å |
| 218 | C | 91.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 76 Ų | 76 | 25% | 0.25 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -67.2 | -14.2 | 171.2 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | D216 C228 N230 | D216-C218 PolarHBondContact O-N 3.4Å; D216-C218 VanDerWaalsContact OD1-CB 3.31Å; D216-C218 WeakPolarHBondContact OD1-CB 3.41Å; D216-C218 PolarHBondContact OD1-N 2.8Å; C218-C228 WeakPolarHBondContact CA-SG 3.47Å; C218-C228 HydrophobicContact CB-CB 3.62Å; C218-C228 WeakPolarHBondContact CB-SG 3.45Å; C218-C228 VanDerWaalsContact SG-C 3.56Å; C218-C228 WeakPolarHBondContact SG-CB 3.43Å; C218-C228 CovalentContact SG-SG 2.03Å; C218-C228 PolarHBondContact SG-SG 2.8Å; C218-N230 PolarHBondContact SG-N 3.28Å; C218-N230 VanDerWaalsContact SG-N 3.37Å |
| 219 | T | 90 | Very high | 89.9 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -96.8 | -4.6 | 176.1 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | D216 E217 | D216-T219 HydrophobicContact CB-CG2 4.23Å; D216-T219 PolarHBondContact O-N 2.83Å; D216-T219 PolarHBondContact O-OG1 3.33Å; E217-T219 PolarHBondContact O-N 2.84Å |
| 220 | I | 87.1 | Confident | 90.2 | Very high | 81 Ų | 81 | 68.4 Ų | 68.4 | 42% | 0.415 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -125.1 | 140.2 | -170.2 | -52.1 | -179.8 | 0 | 0 | 0 | 109.8 | I215 E217 | I215-I220 HydrophobicContact CG2-CD1 3.68Å; E217-I220 PolarHBondContact O-N 3.41Å |
| 221 | P | 85.8 | Confident | 90.6 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 57% | 0.571 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -62.5 | 146.2 | 174.4 | -21 | 31.8 | 0 | 0 | 0 | 112.6 | Y223 | P221-Y223 HydrophobicContact CB-CE2 4.32Å; P221-Y223 HydrophobicContact CG-CE2 3.79Å |
| 222 | P | 82.7 | Confident | 90.8 | Very high | 73 Ų | 73 | 64 Ų | 64 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | S | Bend | cis | -80.4 | 130.6 | 2 | 30.5 | -34.6 | 0 | 0 | 0 | 113.9 | Y250 | P222-Y250 HydrophobicContact CB-CD1 4.21Å; P222-Y250 HydrophobicContact CB-CE1 4.09Å; P222-Y250 HydrophobicContact CG-CD1 4.11Å; P222-Y250 HydrophobicContact CG-CE1 3.51Å; P222-Y250 HydrophobicContact CG-CE2 4Å; P222-Y250 VanDerWaalsContact CG-CZ 3.47Å; P222-Y250 WeakPolarHBondContact O-CE1 3.48Å |
| 223 | Y | 86.5 | Confident | 90.7 | Very high | 138 Ų | 138 | 64.3 Ų | 64.3 | 54% | 0.541 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 145.6 | 176.6 | -55.2 | -64.7 | 0 | 0 | 0 | 112 | P221 | P221-Y223 HydrophobicContact CB-CE2 4.32Å; P221-Y223 HydrophobicContact CG-CE2 3.79Å |
| 224 | C | 89.4 | Confident | 90.7 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 12% | 0.122 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 143.4 | 167.1 | -61.1 | 0 | 0 | 0 | 0 | 111 | Q226 C228 C237 | C224-Q226 VanDerWaalsContact C-N 3.3Å; C224-Q226 PolarHBondContact O-N 2.84Å; C224-C228 HydrophobicContact CB-CB 4.01Å; C224-C228 WeakPolarHBondContact SG-CB 3.32Å; C224-C228 VanDerWaalsContact SG-SG 3.69Å; C224-C237 WeakPolarHBondContact CA-SG 3.5Å; C224-C237 HydrophobicContact CB-CB 3.64Å; C224-C237 WeakPolarHBondContact CB-SG 3.29Å; C224-C237 WeakPolarHBondContact SG-CA 3.43Å; C224-C237 WeakPolarHBondContact SG-CB 3.46Å; C224-C237 CovalentContact SG-SG 2.03Å; C224-C237 PolarHBondContact SG-SG 2.78Å |
| 225 | H | 88.6 | Confident | 90.6 | Very high | 95 Ų | 95 | 65.5 Ų | 65.5 | 44% | 0.44 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -61.4 | -36.6 | 178 | 178.9 | -159 | 0 | 0 | 0 | 112.8 | Y250 C252 | H225-Y250 WeakPolarHBondContact CB-O 3.41Å; H225-Y250 PolarHBondContact N-O 2.71Å; H225-C252 HydrophobicContact CB-CB 4.45Å; H225-C252 PolarHBondContact CE1-O 3.12Å; H225-C252 PolarHBondContact ND1-O 2.85Å |
| 226 | Q | 89.2 | Confident | 90.6 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 29% | 0.29 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -121.7 | -85.3 | -176.1 | -64.1 | -177.3 | 4.6 | 0 | 0 | 111.8 | C224 S240 C252 | C224-Q226 VanDerWaalsContact C-N 3.3Å; C224-Q226 PolarHBondContact O-N 2.84Å; Q226-S240 VanDerWaalsContact OE1-CB 3.27Å; Q226-S240 PolarHBondContact OE1-OG 2.89Å; Q226-S240 VanDerWaalsContact OE1-OG 3.1Å; Q226-C252 HydrophobicContact CG-CB 3.98Å |
| 227 | R | 92.2 | Very high | 90.7 | Very high | 152 Ų | 152 | 66.6 Ų | 66.6 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.3 | -180 | -177.5 | 176.8 | -178.4 | 172.6 | 2.6 | 110.7 | V229 C237 Q238 | R227-V229 HydrophobicContact CG-CG2 4.39Å; R227-C237 CarbonylContact O-C 3.55Å; R227-C237 WeakPolarHBondContact O-CA 3.38Å; R227-Q238 HydrophobicContact CB-CB 4.24Å; R227-Q238 WeakPolarHBondContact CB-O 3.24Å; R227-Q238 HydrophobicContact CG-CB 4.48Å; R227-Q238 PolarHBondContact N-O 2.96Å; R227-Q238 VanDerWaalsContact N-O 3.11Å; R227-Q238 PolarHBondContact O-N 2.97Å |
| 228 | C | 93.9 | Very high | 90.8 | Very high | 36 Ų | 36 | 69 Ų | 69 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 143.8 | 166.7 | -173 | 0 | 0 | 0 | 0 | 110.1 | C218 C224 | C218-C228 WeakPolarHBondContact CA-SG 3.47Å; C218-C228 HydrophobicContact CB-CB 3.62Å; C218-C228 WeakPolarHBondContact CB-SG 3.45Å; C218-C228 VanDerWaalsContact SG-C 3.56Å; C218-C228 WeakPolarHBondContact SG-CB 3.43Å; C218-C228 CovalentContact SG-SG 2.03Å; C218-C228 PolarHBondContact SG-SG 2.8Å; C224-C228 HydrophobicContact CB-CB 4.01Å; C224-C228 WeakPolarHBondContact SG-CB 3.32Å; C224-C228 VanDerWaalsContact SG-SG 3.69Å |
| 229 | V | 93.9 | Very high | 90.9 | Very high | 33 Ų | 33 | 68.4 Ų | 68.4 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 112.5 | 170.4 | -176 | 0 | 0 | 0 | 0 | 108.7 | R227 F235 Y236 | R227-V229 HydrophobicContact CG-CG2 4.39Å; V229-F235 WeakPolarHBondContact O-CA 3.08Å; V229-Y236 HydrophobicContact CB-CD1 4.26Å; V229-Y236 HydrophobicContact CB-CD2 4.37Å; V229-Y236 HydrophobicContact CB-CE1 3.79Å; V229-Y236 HydrophobicContact CB-CE2 3.91Å; V229-Y236 HydrophobicContact CG1-CE1 3.75Å; V229-Y236 HydrophobicContact CG1-CE2 4.49Å; V229-Y236 HydrophobicContact CG2-CE2 3.99Å; V229-Y236 PolarHBondContact N-O 2.93Å; V229-Y236 PolarHBondContact O-N 3.5Å |
| 230 | N | 93.4 | Very high | 91 | Very high | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 140.6 | 175.6 | -163.6 | 68.7 | 0 | 0 | 0 | 110.6 | D214 I215 D216 E217 C218 | D214-N230 PolarHBondContact OD2-ND2 2.99Å; I215-N230 PolarHBondContact O-OD1 2.86Å; D216-N230 WeakPolarHBondContact CA-OD1 3.35Å; E217-N230 PolarHBondContact N-OD1 2.86Å; E217-N230 VanDerWaalsContact N-OD1 3.09Å; C218-N230 PolarHBondContact SG-N 3.28Å; C218-N230 VanDerWaalsContact SG-N 3.37Å |
| 231 | T | 92.7 | Very high | 91.1 | Very high | 46 Ų | 46 | 68.9 Ų | 68.9 | 28% | 0.282 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 156.4 | 180 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | G233 S234 Y236 | T231-G233 PolarHBondContact O-N 3.3Å; T231-S234 CarbonylContact C-O 3.53Å; T231-S234 VanDerWaalsContact C-O 3.3Å; T231-S234 VanDerWaalsContact CA-O 3.28Å; T231-S234 WeakPolarHBondContact CA-O 3.48Å; T231-S234 WeakPolarHBondContact CB-O 3.32Å; T231-S234 PolarHBondContact N-O 3.25Å; T231-S234 CarbonylContact O-C 3.52Å; T231-S234 PolarHBondContact O-N 2.8Å; T231-S234 VanDerWaalsContact OG1-C 3.28Å; T231-S234 PolarHBondContact OG1-O 3.08Å; T231-Y236 HydrophobicContact CG2-CD1 3.98Å; T231-Y236 HydrophobicContact CG2-CE1 3.71Å |
| 232 | P | 92.5 | Very high | 91.2 | Very high | 107 Ų | 107 | 65.5 Ų | 65.5 | 70% | 0.695 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 108.7 | -179.4 | -26.2 | 36.2 | 0 | 0 | 0 | 112.9 | Y205 D214 | Y205-P232 WeakPolarHBondContact OH-CB 3.38Å; D214-P232 WeakPolarHBondContact OD1-CA 3.14Å |
| 233 | G | 90.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 7.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y205 D214 T231 | Y205-G233 VanDerWaalsContact CE2-CA 3.45Å; Y205-G233 PolarHBondContact OH-N 3.2Å; D214-G233 PolarHBondContact OD1-N 2.86Å; T231-G233 PolarHBondContact O-N 3.3Å |
| 234 | S | 92.8 | Very high | 92 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 178.5 | 178.1 | -151.4 | 0 | 0 | 0 | 0 | 113.1 | E217 T231 | E217-S234 VanDerWaalsContact OE2-CA 3.28Å; E217-S234 WeakPolarHBondContact OE2-CA 3.47Å; T231-S234 CarbonylContact C-O 3.53Å; T231-S234 VanDerWaalsContact C-O 3.3Å; T231-S234 VanDerWaalsContact CA-O 3.28Å; T231-S234 WeakPolarHBondContact CA-O 3.48Å; T231-S234 WeakPolarHBondContact CB-O 3.32Å; T231-S234 PolarHBondContact N-O 3.25Å; T231-S234 CarbonylContact O-C 3.52Å; T231-S234 PolarHBondContact O-N 2.8Å; T231-S234 VanDerWaalsContact OG1-C 3.28Å; T231-S234 PolarHBondContact OG1-O 3.08Å |
| 235 | F | 93.3 | Very high | 92.1 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 20% | 0.202 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 164.2 | 172.8 | 71.8 | -68.6 | 0 | 0 | 0 | 111.1 | E217 V229 Y250 | E217-F235 HydrophobicContact CB-CB 3.98Å; E217-F235 HydrophobicContact CB-CD1 3.25Å; E217-F235 HydrophobicContact CB-CD2 4.21Å; E217-F235 HydrophobicContact CB-CE1 3.62Å; E217-F235 HydrophobicContact CB-CE2 4.49Å; E217-F235 HydrophobicContact CB-CG 3.56Å; E217-F235 HydrophobicContact CB-CZ 4.2Å; E217-F235 HydrophobicContact CG-CD1 3.72Å; E217-F235 HydrophobicContact CG-CE1 3.99Å; E217-F235 HydrophobicContact CG-CG 4.46Å; E217-F235 VanDerWaalsContact OE2-CD1 3.26Å; E217-F235 WeakPolarHBondContact OE2-CD1 3.39Å; E217-F235 PolarHBondContact OE2-N 2.95Å; V229-F235 WeakPolarHBondContact O-CA 3.08Å; F235-Y250 HydrophobicContact CE2-CD1 4.49Å; F235-Y250 AromaticContact CE2-CE1 3.63Å; F235-Y250 HydrophobicContact CE2-CE1 3.63Å; F235-Y250 AromaticContact CZ-CE1 3.55Å; F235-Y250 HydrophobicContact CZ-CE1 3.55Å; F235-Y250 AromaticContact CZ-CZ 3.91Å; F235-Y250 WeakPolarHBondContact CZ-OH 3.14Å |
| 236 | Y | 93.2 | Very high | 92.3 | Very high | 122 Ų | 122 | 61.4 Ų | 61.4 | 48% | 0.478 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.6 | 170.3 | 66.2 | -88.2 | 0 | 0 | 0 | 111.8 | V229 T231 | V229-Y236 HydrophobicContact CB-CD1 4.26Å; V229-Y236 HydrophobicContact CB-CD2 4.37Å; V229-Y236 HydrophobicContact CB-CE1 3.79Å; V229-Y236 HydrophobicContact CB-CE2 3.91Å; V229-Y236 HydrophobicContact CG1-CE1 3.75Å; V229-Y236 HydrophobicContact CG1-CE2 4.49Å; V229-Y236 HydrophobicContact CG2-CE2 3.99Å; V229-Y236 PolarHBondContact N-O 2.93Å; V229-Y236 PolarHBondContact O-N 3.5Å; T231-Y236 HydrophobicContact CG2-CD1 3.98Å; T231-Y236 HydrophobicContact CG2-CE1 3.71Å |
| 237 | C | 94.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137.2 | 172 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | C224 R227 L245 N249 | C224-C237 WeakPolarHBondContact CA-SG 3.5Å; C224-C237 HydrophobicContact CB-CB 3.64Å; C224-C237 WeakPolarHBondContact CB-SG 3.29Å; C224-C237 WeakPolarHBondContact SG-CA 3.43Å; C224-C237 WeakPolarHBondContact SG-CB 3.46Å; C224-C237 CovalentContact SG-SG 2.03Å; C224-C237 PolarHBondContact SG-SG 2.78Å; R227-C237 CarbonylContact O-C 3.55Å; R227-C237 WeakPolarHBondContact O-CA 3.38Å; C237-L245 HydrophobicContact CB-CD1 3.88Å; C237-N249 VanDerWaalsContact CB-O 3.29Å; C237-N249 WeakPolarHBondContact CB-O 3.44Å; C237-N249 PolarHBondContact SG-O 3.16Å |
| 238 | Q | 93.2 | Very high | 92.4 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.9 | 174.8 | -177.3 | 176.3 | 19.2 | 0 | 0 | 109.3 | R227 | R227-Q238 HydrophobicContact CB-CB 4.24Å; R227-Q238 WeakPolarHBondContact CB-O 3.24Å; R227-Q238 HydrophobicContact CG-CB 4.48Å; R227-Q238 PolarHBondContact N-O 2.96Å; R227-Q238 VanDerWaalsContact N-O 3.11Å; R227-Q238 PolarHBondContact O-N 2.97Å |
| 239 | C | 93.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 63.5 Ų | 63.5 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 148.7 | 173.7 | -56 | 0 | 0 | 0 | 0 | 111.1 | F243 C252 | C239-F243 HydrophobicContact CB-CB 3.86Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; C239-C252 WeakPolarHBondContact CA-SG 3.24Å; C239-C252 HydrophobicContact CB-CB 3.77Å; C239-C252 WeakPolarHBondContact CB-SG 3.24Å; C239-C252 WeakPolarHBondContact SG-CA 3.33Å; C239-C252 WeakPolarHBondContact SG-CB 3.44Å; C239-C252 CovalentContact SG-SG 2.04Å; C239-C252 PolarHBondContact SG-SG 3.36Å |
| 240 | S | 92.5 | Very high | 92 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 160 | 169.6 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | Q226 F243 | Q226-S240 VanDerWaalsContact OE1-CB 3.27Å; Q226-S240 PolarHBondContact OE1-OG 2.89Å; Q226-S240 VanDerWaalsContact OE1-OG 3.1Å; S240-F243 PolarHBondContact O-N 2.93Å; S240-F243 VanDerWaalsContact O-N 3.12Å |
| 241 | P | 89.1 | Confident | 91.9 | Very high | 120 Ų | 120 | 65.7 Ų | 65.7 | 78% | 0.779 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 142.8 | 169.8 | -24.7 | 35.1 | 0 | 0 | 0 | 111.6 | F243 | P241-F243 VanDerWaalsContact C-N 3.31Å; P241-F243 WeakPolarHBondContact O-CD2 3.41Å |
| 242 | G | 88.6 | Confident | 91.9 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -6.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | I255 | G242-I255 WeakPolarHBondContact O-CB 3.19Å; G242-I255 WeakPolarHBondContact O-CG1 3.43Å; G242-I255 PolarHBondContact O-N 2.84Å |
| 243 | F | 92.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.1 | 179.7 | -61 | -93.5 | 0 | 0 | 0 | 112.4 | C239 S240 P241 C252 V253 D254 L272 G273 | C239-F243 HydrophobicContact CB-CB 3.86Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; S240-F243 PolarHBondContact O-N 2.93Å; S240-F243 VanDerWaalsContact O-N 3.12Å; P241-F243 VanDerWaalsContact C-N 3.31Å; P241-F243 WeakPolarHBondContact O-CD2 3.41Å; F243-C252 HydrophobicContact CB-CB 4.11Å; F243-V253 CarbonylContact C-O 3.6Å; F243-V253 WeakPolarHBondContact CA-O 3.35Å; F243-D254 HydrophobicContact CD1-CB 4.34Å; F243-D254 HydrophobicContact CE1-CB 4.25Å; F243-L272 HydrophobicContact CZ-CB 4.49Å; F243-G273 VanDerWaalsContact CE2-CA 3.44Å |
| 244 | Q | 92 | Very high | 91.9 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 147.6 | 174.5 | 62.2 | -179.4 | 0.2 | 0 | 0 | 111.3 | A246 C252 V253 I255 | Q244-A246 PolarHBondContact O-N 2.71Å; Q244-C252 WeakPolarHBondContact O-CA 3.46Å; Q244-V253 HydrophobicContact CG-CG2 3.64Å; Q244-V253 PolarHBondContact N-O 3.41Å; Q244-V253 PolarHBondContact O-N 2.8Å; Q244-I255 HydrophobicContact CB-CD1 4.09Å; Q244-I255 HydrophobicContact CB-CG1 3.81Å; Q244-I255 HydrophobicContact CG-CG1 3.86Å |
| 245 | L | 93.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.5 | 178.4 | -166.4 | 67.8 | 0 | 0 | 0 | 110 | C237 N249 | C237-L245 HydrophobicContact CB-CD1 3.88Å; L245-N249 HydrophobicContact CD2-CB 4.28Å |
| 246 | A | 92.5 | Very high | 91.7 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | trans | -70.8 | 165.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q244 N248 N249 T251 V253 | Q244-A246 PolarHBondContact O-N 2.71Å; A246-N248 PolarHBondContact O-N 2.81Å; A246-N249 PolarHBondContact O-N 2.93Å; A246-T251 VanDerWaalsContact CB-O 3.24Å; A246-T251 WeakPolarHBondContact CB-O 3.29Å; A246-T251 WeakPolarHBondContact CB-OG1 3.22Å; A246-T251 PolarHBondContact N-O 3.2Å; A246-V253 HydrophobicContact CB-CG1 4.17Å | ||
| 247 | A | 92.3 | Very high | 91.4 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 92% | 0.917 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -6.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 248 | N | 90.7 | Very high | 91.2 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -8.5 | 171.2 | 64.4 | 11.3 | 0 | 0 | 0 | 113.4 | A246 Y250 T251 | A246-N248 PolarHBondContact O-N 2.81Å; N248-Y250 WeakPolarHBondContact O-CD2 3.43Å; N248-Y250 WeakPolarHBondContact O-CE2 3.32Å; N248-Y250 PolarHBondContact O-N 3.09Å; N248-Y250 PolarHBondContact OD1-N 3.45Å; N248-T251 WeakPolarHBondContact ND2-CG2 3.32Å; N248-T251 PolarHBondContact ND2-OG1 2.79Å; N248-T251 PolarHBondContact OD1-N 3.23Å; N248-T251 PolarHBondContact OD1-OG1 3.36Å; N248-T251 VanDerWaalsContact OD1-OG1 3.09Å |
| 249 | N | 89.9 | Confident | 90.9 | Very high | 106 Ų | 106 | 61 Ų | 61 | 57% | 0.567 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 63.4 | 11.3 | -173.5 | -59 | -21.4 | 0 | 0 | 0 | 116.4 | C237 L245 A246 | C237-N249 VanDerWaalsContact CB-O 3.29Å; C237-N249 WeakPolarHBondContact CB-O 3.44Å; C237-N249 PolarHBondContact SG-O 3.16Å; L245-N249 HydrophobicContact CD2-CB 4.28Å; A246-N249 PolarHBondContact O-N 2.93Å |
| 250 | Y | 89.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -118.8 | -41.7 | -179.7 | -67.1 | -76.5 | 0 | 0 | 0 | 114.1 | P222 H225 F235 N248 | P222-Y250 HydrophobicContact CB-CD1 4.21Å; P222-Y250 HydrophobicContact CB-CE1 4.09Å; P222-Y250 HydrophobicContact CG-CD1 4.11Å; P222-Y250 HydrophobicContact CG-CE1 3.51Å; P222-Y250 HydrophobicContact CG-CE2 4Å; P222-Y250 VanDerWaalsContact CG-CZ 3.47Å; P222-Y250 WeakPolarHBondContact O-CE1 3.48Å; H225-Y250 WeakPolarHBondContact CB-O 3.41Å; H225-Y250 PolarHBondContact N-O 2.71Å; F235-Y250 HydrophobicContact CE2-CD1 4.49Å; F235-Y250 AromaticContact CE2-CE1 3.63Å; F235-Y250 HydrophobicContact CE2-CE1 3.63Å; F235-Y250 AromaticContact CZ-CE1 3.55Å; F235-Y250 HydrophobicContact CZ-CE1 3.55Å; F235-Y250 AromaticContact CZ-CZ 3.91Å; F235-Y250 WeakPolarHBondContact CZ-OH 3.14Å; N248-Y250 WeakPolarHBondContact O-CD2 3.43Å; N248-Y250 WeakPolarHBondContact O-CE2 3.32Å; N248-Y250 PolarHBondContact O-N 3.09Å; N248-Y250 PolarHBondContact OD1-N 3.45Å |
| 251 | T | 91 | Very high | 88.5 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 39% | 0.389 | S | S | . | . | trans | -93.7 | 118.7 | -173.5 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | A246 N248 | A246-T251 VanDerWaalsContact CB-O 3.24Å; A246-T251 WeakPolarHBondContact CB-O 3.29Å; A246-T251 WeakPolarHBondContact CB-OG1 3.22Å; A246-T251 PolarHBondContact N-O 3.2Å; N248-T251 WeakPolarHBondContact ND2-CG2 3.32Å; N248-T251 PolarHBondContact ND2-OG1 2.79Å; N248-T251 PolarHBondContact OD1-N 3.23Å; N248-T251 PolarHBondContact OD1-OG1 3.36Å; N248-T251 VanDerWaalsContact OD1-OG1 3.09Å | ||
| 252 | C | 92.2 | Very high | 87.4 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.1 | 164.6 | -63.2 | 0 | 0 | 0 | 0 | 108.9 | H225 Q226 C239 F243 Q244 | H225-C252 HydrophobicContact CB-CB 4.45Å; H225-C252 PolarHBondContact CE1-O 3.12Å; H225-C252 PolarHBondContact ND1-O 2.85Å; Q226-C252 HydrophobicContact CG-CB 3.98Å; C239-C252 WeakPolarHBondContact CA-SG 3.24Å; C239-C252 HydrophobicContact CB-CB 3.77Å; C239-C252 WeakPolarHBondContact CB-SG 3.24Å; C239-C252 WeakPolarHBondContact SG-CA 3.33Å; C239-C252 WeakPolarHBondContact SG-CB 3.44Å; C239-C252 CovalentContact SG-SG 2.04Å; C239-C252 PolarHBondContact SG-SG 3.36Å; F243-C252 HydrophobicContact CB-CB 4.11Å; Q244-C252 WeakPolarHBondContact O-CA 3.46Å |
| 253 | V | 92 | Very high | 87.2 | Confident | 60 Ų | 60 | 67 Ų | 67 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 147.2 | 172.8 | -62.7 | 0 | 0 | 0 | 0 | 109.1 | F243 Q244 A246 | F243-V253 CarbonylContact C-O 3.6Å; F243-V253 WeakPolarHBondContact CA-O 3.35Å; Q244-V253 HydrophobicContact CG-CG2 3.64Å; Q244-V253 PolarHBondContact N-O 3.41Å; Q244-V253 PolarHBondContact O-N 2.8Å; A246-V253 HydrophobicContact CB-CG1 4.17Å |
| 254 | D | 92.3 | Very high | 87 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 140.6 | 178.1 | -169.6 | 56.8 | 0 | 0 | 0 | 111.7 | F243 N270 L272 G273 | F243-D254 HydrophobicContact CD1-CB 4.34Å; F243-D254 HydrophobicContact CE1-CB 4.25Å; D254-N270 PolarHBondContact OD2-ND2 3.23Å; D254-L272 HydrophobicContact CB-CD2 3.99Å; D254-L272 WeakPolarHBondContact OD1-CA 3.47Å; D254-G273 PolarHBondContact OD1-N 3.01Å |
| 255 | I | 90.1 | Very high | 86.9 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 29% | 0.292 | 38% | 0.379 | S | S | . | . | trans | -89.9 | 109.9 | 172.9 | -62.1 | 171.5 | 0 | 0 | 0 | 107 | G242 Q244 E257 | G242-I255 WeakPolarHBondContact O-CB 3.19Å; G242-I255 WeakPolarHBondContact O-CG1 3.43Å; G242-I255 PolarHBondContact O-N 2.84Å; Q244-I255 HydrophobicContact CB-CD1 4.09Å; Q244-I255 HydrophobicContact CB-CG1 3.81Å; Q244-I255 HydrophobicContact CG-CG1 3.86Å; I255-E257 HydrophobicContact CG2-CG 4.32Å; I255-E257 VanDerWaalsContact O-CD 3.3Å; I255-E257 PolarHBondContact O-N 2.95Å | ||
| 256 | N | 89.9 | Confident | 86.8 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | trans | -70.6 | 93.2 | 174.2 | -174.4 | -0.7 | 0 | 0 | 0 | 110.6 | C258 D259 N270 | N256-C258 PolarHBondContact O-N 3.42Å; N256-C258 WeakPolarHBondContact OD1-CB 3.45Å; N256-C258 PolarHBondContact OD1-N 2.97Å; N256-D259 HydrophobicContact CB-CB 4.34Å; N256-D259 PolarHBondContact ND2-OD1 2.95Å; N256-D259 VanDerWaalsContact ND2-OD1 3.12Å; N256-D259 PolarHBondContact ND2-OD2 2.73Å; N256-D259 PolarHBondContact O-N 3.12Å; N256-D259 VanDerWaalsContact O-N 3.11Å; N256-N270 VanDerWaalsContact CA-OD1 3.3Å; N256-N270 WeakPolarHBondContact CA-OD1 3.47Å; N256-N270 WeakPolarHBondContact OD1-CB 3.4Å; N256-N270 VanDerWaalsContact OD1-CG 3.28Å; N256-N270 PolarHBondContact OD1-OD1 3.13Å | ||
| 257 | E | 88.2 | Confident | 86.8 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 12% | 0.117 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.3 | -19.1 | -176.7 | -67.1 | 108.8 | 169.4 | 0 | 0 | 113 | I255 D259 N270 S274 F275 | I255-E257 HydrophobicContact CG2-CG 4.32Å; I255-E257 VanDerWaalsContact O-CD 3.3Å; I255-E257 PolarHBondContact O-N 2.95Å; E257-D259 VanDerWaalsContact C-N 3.33Å; E257-N270 PolarHBondContact N-OD1 2.78Å; E257-S274 WeakPolarHBondContact OE2-CA 3.49Å; E257-F275 HydrophobicContact CB-CB 4.15Å; E257-F275 HydrophobicContact CB-CD1 3.44Å; E257-F275 VanDerWaalsContact CB-CD1 3.44Å; E257-F275 HydrophobicContact CB-CE1 4.06Å; E257-F275 HydrophobicContact CB-CG 3.92Å; E257-F275 HydrophobicContact CG-CD1 3.76Å; E257-F275 HydrophobicContact CG-CE1 4.26Å; E257-F275 WeakPolarHBondContact OE2-CD1 3.38Å; E257-F275 PolarHBondContact OE2-N 2.72Å; E257-F275 VanDerWaalsContact OE2-N 3.14Å |
| 258 | C | 89.7 | Confident | 86.8 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.5 | -23.8 | 174.4 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | N256 C268 N270 | N256-C258 PolarHBondContact O-N 3.42Å; N256-C258 WeakPolarHBondContact OD1-CB 3.45Å; N256-C258 PolarHBondContact OD1-N 2.97Å; C258-C268 WeakPolarHBondContact CA-SG 3.21Å; C258-C268 HydrophobicContact CB-CB 3.8Å; C258-C268 WeakPolarHBondContact CB-SG 3.03Å; C258-C268 WeakPolarHBondContact SG-CB 3.17Å; C258-C268 CovalentContact SG-SG 2.04Å; C258-C268 PolarHBondContact SG-SG 2.73Å; C258-N270 PolarHBondContact SG-N 2.9Å |
| 259 | D | 87 | Confident | 86.8 | Confident | 132 Ų | 132 | 60.8 Ų | 60.8 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -84.2 | -32.4 | -179.3 | -74.2 | -14.7 | 0 | 0 | 0 | 113.1 | N256 E257 | N256-D259 HydrophobicContact CB-CB 4.34Å; N256-D259 PolarHBondContact ND2-OD1 2.95Å; N256-D259 VanDerWaalsContact ND2-OD1 3.12Å; N256-D259 PolarHBondContact ND2-OD2 2.73Å; N256-D259 PolarHBondContact O-N 3.12Å; N256-D259 VanDerWaalsContact O-N 3.11Å; E257-D259 VanDerWaalsContact C-N 3.33Å |
| 260 | A | 69 | Low | 86.8 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 69% | 0.686 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.9 | -42.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 261 | S | 66 | Low | 86.8 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -171.8 | 124 | 163.8 | 51.9 | 0 | 0 | 0 | 0 | 106 | Q263 | S261-Q263 VanDerWaalsContact O-CG 3.3Å; S261-Q263 WeakPolarHBondContact O-CG 3.47Å; S261-Q263 PolarHBondContact O-N 2.96Å |
| 262 | N | 66.7 | Low | 86.7 | Confident | 90 Ų | 90 | 57 Ų | 57 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | trans | -58.5 | 97.4 | -171 | -166.4 | 28.5 | 0 | 0 | 0 | 110.7 | C264 Q266 C268 | N262-C264 PolarHBondContact ND2-O 2.82Å; N262-C264 PolarHBondContact O-N 2.78Å; N262-Q266 PolarHBondContact ND2-O 3.11Å; N262-C268 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 263 | Q | 83 | Confident | 86.4 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | trans | -71.2 | -23.2 | -172.4 | -58.8 | -170 | 38.9 | 0 | 0 | 111.7 | S261 F275 L290 | S261-Q263 VanDerWaalsContact O-CG 3.3Å; S261-Q263 WeakPolarHBondContact O-CG 3.47Å; S261-Q263 PolarHBondContact O-N 2.96Å; Q263-F275 HydrophobicContact CB-CE2 3.73Å; Q263-F275 HydrophobicContact CB-CZ 3.68Å; Q263-F275 HydrophobicContact CG-CZ 4.13Å; Q263-F275 VanDerWaalsContact OE1-CZ 3.23Å; Q263-L290 HydrophobicContact CB-CD2 4.37Å | ||
| 264 | C | 89.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -77.9 | 137.2 | 173.2 | -54.8 | 0 | 0 | 0 | 0 | 111 | N262 Q266 Q267 C268 C277 | N262-C264 PolarHBondContact ND2-O 2.82Å; N262-C264 PolarHBondContact O-N 2.78Å; C264-Q266 PolarHBondContact O-N 2.89Å; C264-Q266 VanDerWaalsContact O-N 3.16Å; C264-Q267 WeakPolarHBondContact CB-O 3.47Å; C264-C268 HydrophobicContact CB-CB 4.04Å; C264-C268 VanDerWaalsContact SG-CB 3.54Å; C264-C277 WeakPolarHBondContact CA-SG 3.49Å; C264-C277 HydrophobicContact CB-CB 3.63Å; C264-C277 WeakPolarHBondContact CB-SG 3Å; C264-C277 WeakPolarHBondContact SG-CA 3.33Å; C264-C277 WeakPolarHBondContact SG-CB 3.18Å; C264-C277 CovalentContact SG-SG 2.03Å; C264-C277 PolarHBondContact SG-SG 2.04Å |
| 265 | A | 90.9 | Very high | 86.2 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -62.4 | -21.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L290 | A265-L290 PolarHBondContact N-O 3.35Š|
| 266 | Q | 90.6 | Very high | 86.2 | Confident | 44 Ų | 44 | 55.3 Ų | 55.3 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -133.4 | -104.2 | -177.8 | -59.5 | -173.4 | 6.5 | 0 | 0 | 111.5 | N262 C264 N280 C292 | N262-Q266 PolarHBondContact ND2-O 3.11Å; C264-Q266 PolarHBondContact O-N 2.89Å; C264-Q266 VanDerWaalsContact O-N 3.16Å; Q266-N280 VanDerWaalsContact OE1-CB 3.27Å; Q266-N280 VanDerWaalsContact OE1-CG 3.28Å; Q266-N280 PolarHBondContact OE1-ND2 3.32Å; Q266-C292 HydrophobicContact CG-CB 3.93Å |
| 267 | Q | 91.9 | Very high | 86.3 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.6 | -176.7 | -52.7 | 177.8 | -5.2 | 0 | 0 | 110.4 | C264 Y269 C277 Q278 N280 | C264-Q267 WeakPolarHBondContact CB-O 3.47Å; Q267-Y269 HydrophobicContact CB-CE2 4.09Å; Q267-Y269 PolarHBondContact OE1-OH 3.28Å; Q267-C277 WeakPolarHBondContact O-CA 3.4Å; Q267-Q278 HydrophobicContact CB-CB 4.24Å; Q267-Q278 VanDerWaalsContact CB-O 3.32Å; Q267-Q278 WeakPolarHBondContact CB-O 3.32Å; Q267-Q278 PolarHBondContact N-O 2.84Å; Q267-Q278 PolarHBondContact O-N 2.85Å; Q267-N280 PolarHBondContact NE2-OD1 2.03Å |
| 268 | C | 92.9 | Very high | 86.5 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.9 | 174 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | C258 N262 C264 | C258-C268 WeakPolarHBondContact CA-SG 3.21Å; C258-C268 HydrophobicContact CB-CB 3.8Å; C258-C268 WeakPolarHBondContact CB-SG 3.03Å; C258-C268 WeakPolarHBondContact SG-CB 3.17Å; C258-C268 CovalentContact SG-SG 2.04Å; C258-C268 PolarHBondContact SG-SG 2.73Å; N262-C268 WeakPolarHBondContact OD1-CB 3.23Å; C264-C268 HydrophobicContact CB-CB 4.04Å; C264-C268 VanDerWaalsContact SG-CB 3.54Å |
| 269 | Y | 91.5 | Very high | 86.7 | Confident | 107 Ų | 107 | 55 Ų | 55 | 42% | 0.42 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118.5 | 172.5 | -64.3 | -80 | 0 | 0 | 0 | 109.2 | Q267 F275 I276 Q278 | Q267-Y269 HydrophobicContact CB-CE2 4.09Å; Q267-Y269 PolarHBondContact OE1-OH 3.28Å; Y269-F275 CarbonylContact O-C 3.21Å; Y269-F275 WeakPolarHBondContact O-CA 3.04Å; Y269-I276 PolarHBondContact N-O 2.81Å; Y269-I276 PolarHBondContact O-N 2.85Å; Y269-Q278 HydrophobicContact CD2-CB 4.18Å; Y269-Q278 HydrophobicContact CE2-CB 3.83Å |
| 270 | N | 89.7 | Confident | 87.1 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 136.2 | 176.5 | -163 | 66.2 | 0 | 0 | 0 | 110.7 | D254 N256 E257 C258 | D254-N270 PolarHBondContact OD2-ND2 3.23Å; N256-N270 VanDerWaalsContact CA-OD1 3.3Å; N256-N270 WeakPolarHBondContact CA-OD1 3.47Å; N256-N270 WeakPolarHBondContact OD1-CB 3.4Å; N256-N270 VanDerWaalsContact OD1-CG 3.28Å; N256-N270 PolarHBondContact OD1-OD1 3.13Å; E257-N270 PolarHBondContact N-OD1 2.78Å; C258-N270 PolarHBondContact SG-N 2.9Å |
| 271 | I | 89.9 | Confident | 88.2 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 168.7 | 172.7 | 62.2 | 169.7 | 0 | 0 | 0 | 108.6 | L69 L71 G273 S274 I276 | L69-I271 HydrophobicContact CD1-CB 4.32Å; L69-I271 HydrophobicContact CD2-CB 3.94Å; L69-I271 HydrophobicContact CD2-CG2 3.98Å; L71-I271 HydrophobicContact CD2-CG2 4.24Å; I271-G273 PolarHBondContact O-N 2.66Å; I271-G273 VanDerWaalsContact O-N 3.16Å; I271-S274 CarbonylContact C-O 3.59Å; I271-S274 VanDerWaalsContact C-O 3.27Å; I271-S274 WeakPolarHBondContact CA-O 3.02Å; I271-S274 WeakPolarHBondContact CG1-O 3.47Å; I271-S274 PolarHBondContact N-O 2.94Å; I271-S274 PolarHBondContact O-N 3.34Å; I271-I276 HydrophobicContact CD1-CG2 4.01Å |
| 272 | L | 88.3 | Confident | 89.5 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 38% | 0.382 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 119.1 | -179.3 | -70.5 | 172.4 | 0 | 0 | 0 | 110.6 | H64 F243 D254 | H64-L272 WeakPolarHBondContact CE1-CB 3.42Å; H64-L272 PolarHBondContact NE2-O 2.72Å; F243-L272 HydrophobicContact CZ-CB 4.49Å; D254-L272 HydrophobicContact CB-CD2 3.99Å; D254-L272 WeakPolarHBondContact OD1-CA 3.47Å |
| 273 | G | 85.9 | Confident | 90.9 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 8.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | F243 D254 I271 | F243-G273 VanDerWaalsContact CE2-CA 3.44Å; D254-G273 PolarHBondContact OD1-N 3.01Å; I271-G273 PolarHBondContact O-N 2.66Å; I271-G273 VanDerWaalsContact O-N 3.16Å |
| 274 | S | 89.6 | Confident | 91.3 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 174.8 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | E257 I271 | E257-S274 WeakPolarHBondContact OE2-CA 3.49Å; I271-S274 CarbonylContact C-O 3.59Å; I271-S274 VanDerWaalsContact C-O 3.27Å; I271-S274 WeakPolarHBondContact CA-O 3.02Å; I271-S274 WeakPolarHBondContact CG1-O 3.47Å; I271-S274 PolarHBondContact N-O 2.94Å; I271-S274 PolarHBondContact O-N 3.34Å |
| 275 | F | 89.6 | Confident | 91.5 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 166 | 165.5 | 64.7 | -73.6 | 0 | 0 | 0 | 111.1 | E257 Q263 Y269 L290 | E257-F275 HydrophobicContact CB-CB 4.15Å; E257-F275 HydrophobicContact CB-CD1 3.44Å; E257-F275 VanDerWaalsContact CB-CD1 3.44Å; E257-F275 HydrophobicContact CB-CE1 4.06Å; E257-F275 HydrophobicContact CB-CG 3.92Å; E257-F275 HydrophobicContact CG-CD1 3.76Å; E257-F275 HydrophobicContact CG-CE1 4.26Å; E257-F275 WeakPolarHBondContact OE2-CD1 3.38Å; E257-F275 PolarHBondContact OE2-N 2.72Å; E257-F275 VanDerWaalsContact OE2-N 3.14Å; Q263-F275 HydrophobicContact CB-CE2 3.73Å; Q263-F275 HydrophobicContact CB-CZ 3.68Å; Q263-F275 HydrophobicContact CG-CZ 4.13Å; Q263-F275 VanDerWaalsContact OE1-CZ 3.23Å; Y269-F275 CarbonylContact O-C 3.21Å; Y269-F275 WeakPolarHBondContact O-CA 3.04Å; F275-L290 HydrophobicContact CE2-CD2 3.58Å; F275-L290 HydrophobicContact CZ-CD2 3.62Å |
| 276 | I | 91 | Very high | 91.6 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.7 | 167.2 | 63.2 | 177.9 | 0 | 0 | 0 | 110.7 | L71 A75 Y269 I271 | L71-I276 HydrophobicContact CD2-CD1 4.12Å; A75-I276 HydrophobicContact CB-CD1 4.18Å; Y269-I276 PolarHBondContact N-O 2.81Å; Y269-I276 PolarHBondContact O-N 2.85Å; I271-I276 HydrophobicContact CD1-CG2 4.01Å |
| 277 | C | 92.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142.4 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | C264 Q267 L285 R289 | C264-C277 WeakPolarHBondContact CA-SG 3.49Å; C264-C277 HydrophobicContact CB-CB 3.63Å; C264-C277 WeakPolarHBondContact CB-SG 3Å; C264-C277 WeakPolarHBondContact SG-CA 3.33Å; C264-C277 WeakPolarHBondContact SG-CB 3.18Å; C264-C277 CovalentContact SG-SG 2.03Å; C264-C277 PolarHBondContact SG-SG 2.04Å; Q267-C277 WeakPolarHBondContact O-CA 3.4Å; C277-L285 HydrophobicContact CB-CD1 3.85Å; C277-R289 WeakPolarHBondContact CB-O 3.05Å; C277-R289 PolarHBondContact SG-O 3.43Å; C277-R289 VanDerWaalsContact SG-O 3.39Å |
| 278 | Q | 92 | Very high | 91.5 | Very high | 66 Ų | 66 | 59 Ų | 59 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139.1 | 173.3 | -179.5 | 172.5 | -24.5 | 0 | 0 | 110.5 | Q267 Y269 | Q267-Q278 HydrophobicContact CB-CB 4.24Å; Q267-Q278 VanDerWaalsContact CB-O 3.32Å; Q267-Q278 WeakPolarHBondContact CB-O 3.32Å; Q267-Q278 PolarHBondContact N-O 2.84Å; Q267-Q278 PolarHBondContact O-N 2.85Å; Y269-Q278 HydrophobicContact CD2-CB 4.18Å; Y269-Q278 HydrophobicContact CE2-CB 3.83Å |
| 279 | C | 94.1 | Very high | 91.2 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 146.4 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | C292 | C279-C292 WeakPolarHBondContact CA-SG 3.46Å; C279-C292 HydrophobicContact CB-CB 3.81Å; C279-C292 WeakPolarHBondContact CB-SG 3.41Å; C279-C292 VanDerWaalsContact SG-CA 3.52Å; C279-C292 WeakPolarHBondContact SG-CB 3.39Å; C279-C292 CovalentContact SG-SG 2.04Å; C279-C292 PolarHBondContact SG-SG 3.36Å |
| 280 | N | 94.2 | Very high | 91.2 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 163 | 169.4 | -64.2 | -46.5 | 0 | 0 | 0 | 110.2 | Q266 Q267 G282 Y283 | Q266-N280 VanDerWaalsContact OE1-CB 3.27Å; Q266-N280 VanDerWaalsContact OE1-CG 3.28Å; Q266-N280 PolarHBondContact OE1-ND2 3.32Å; Q267-N280 PolarHBondContact NE2-OD1 2.03Å; N280-G282 PolarHBondContact O-N 2.98Å; N280-Y283 HydrophobicContact CB-CD2 4.42Å; N280-Y283 PolarHBondContact O-N 3.27Å |
| 281 | Q | 93.4 | Very high | 91.3 | Very high | 191 Ų | 191 | 61.7 Ų | 61.7 | 89% | 0.893 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 137 | 174.4 | -174.9 | 176 | 2.9 | 0 | 0 | 111.3 | ||
| 282 | G | 92.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -4.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N280 I295 | N280-G282 PolarHBondContact O-N 2.98Å; G282-I295 WeakPolarHBondContact O-CB 3.42Å; G282-I295 PolarHBondContact O-N 3.45Å |
| 283 | Y | 95.5 | Very high | 91.8 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.2 | -180 | -63.6 | -96.7 | 0 | 0 | 0 | 111.7 | N280 C292 E293 D294 P313 G314 | N280-Y283 HydrophobicContact CB-CD2 4.42Å; N280-Y283 PolarHBondContact O-N 3.27Å; Y283-C292 HydrophobicContact CD1-CB 4.43Å; Y283-E293 CarbonylContact C-O 3.57Å; Y283-E293 WeakPolarHBondContact CA-O 3.44Å; Y283-E293 WeakPolarHBondContact CB-O 3.2Å; Y283-D294 HydrophobicContact CD1-CB 4.42Å; Y283-D294 HydrophobicContact CE1-CB 4.29Å; Y283-P313 WeakPolarHBondContact OH-CB 3.17Å; Y283-P313 PolarHBondContact OH-O 2.76Å; Y283-G314 PolarHBondContact OH-N 2.97Å |
| 284 | E | 93.1 | Very high | 92.2 | Very high | 114 Ų | 114 | 64.5 Ų | 64.5 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152.3 | 171.5 | 63.6 | -180 | -174.4 | 0 | 0 | 111.7 | C292 E293 I295 | E284-C292 CarbonylContact O-C 3.58Å; E284-C292 WeakPolarHBondContact O-CA 3.35Å; E284-E293 PolarHBondContact N-O 3.17Å; E284-E293 PolarHBondContact O-N 2.89Å; E284-I295 HydrophobicContact CB-CD1 4.21Å; E284-I295 HydrophobicContact CB-CG1 3.91Å; E284-I295 HydrophobicContact CG-CG1 3.99Å |
| 285 | L | 93.2 | Very high | 92.4 | Very high | 71 Ų | 71 | 65.3 Ų | 65.3 | 37% | 0.372 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 125.1 | -177.8 | -167.7 | 74.5 | 0 | 0 | 0 | 109.5 | C277 R289 | C277-L285 HydrophobicContact CB-CD1 3.85Å; L285-R289 HydrophobicContact CD2-CB 4.03Å; L285-R289 HydrophobicContact CD2-CG 4.39Å |
| 286 | S | 91.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 11% | 0.112 | 34% | 0.342 | C | S | . | . | trans | -64.6 | 167.3 | -179.3 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | D288 R289 N291 E293 | S286-D288 PolarHBondContact O-N 2.97Å; S286-D288 VanDerWaalsContact O-N 3.13Å; S286-R289 PolarHBondContact O-N 2.92Å; S286-N291 WeakPolarHBondContact CB-O 3.27Å; S286-N291 PolarHBondContact N-O 2.72Å; S286-E293 WeakPolarHBondContact CB-OE1 3.39Å; S286-E293 PolarHBondContact OG-OE1 3.34Å | ||
| 287 | S | 90.3 | Very high | 92.7 | Very high | 123 Ų | 123 | 66.5 Ų | 66.5 | 86% | 0.86 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.5 | 176.5 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | R289 | S287-R289 VanDerWaalsContact C-N 3.29Š|
| 288 | D | 90.4 | Very high | 92.8 | Very high | 72 Ų | 72 | 67.3 Ų | 67.3 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12 | 175.4 | 65.2 | 17.8 | 0 | 0 | 0 | 114.1 | S286 L290 N291 | S286-D288 PolarHBondContact O-N 2.97Å; S286-D288 VanDerWaalsContact O-N 3.13Å; D288-L290 PolarHBondContact O-N 3.44Å; D288-L290 PolarHBondContact OD1-N 2.04Å; D288-N291 PolarHBondContact OD1-N 2.76Å; D288-N291 PolarHBondContact OD2-ND2 3.42Å |
| 289 | R | 88.1 | Confident | 92.8 | Very high | 105 Ų | 105 | 74.3 Ų | 74.3 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 62.3 | 14.8 | -175.9 | -54.8 | -179.2 | 174.4 | -133.2 | -3.4 | 115.5 | Q76 C277 L285 S286 S287 | Q76-R289 PolarHBondContact O-NH1 2.86Å; C277-R289 WeakPolarHBondContact CB-O 3.05Å; C277-R289 PolarHBondContact SG-O 3.43Å; C277-R289 VanDerWaalsContact SG-O 3.39Å; L285-R289 HydrophobicContact CD2-CB 4.03Å; L285-R289 HydrophobicContact CD2-CG 4.39Å; S286-R289 PolarHBondContact O-N 2.92Å; S287-R289 VanDerWaalsContact C-N 3.29Å |
| 290 | L | 90.3 | Very high | 92.4 | Very high | 56 Ų | 56 | 78.7 Ų | 78.7 | 29% | 0.293 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -117.4 | -40.9 | -179.4 | -60.9 | 177.3 | 0 | 0 | 0 | 111.8 | Q263 A265 F275 D288 | Q263-L290 HydrophobicContact CB-CD2 4.37Å; A265-L290 PolarHBondContact N-O 3.35Å; F275-L290 HydrophobicContact CE2-CD2 3.58Å; F275-L290 HydrophobicContact CZ-CD2 3.62Å; D288-L290 PolarHBondContact O-N 3.44Å; D288-L290 PolarHBondContact OD1-N 2.04Å |
| 291 | N | 92 | Very high | 92 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | trans | -91.6 | 150.6 | -177.6 | -74.1 | -56.6 | 0 | 0 | 0 | 112.2 | S286 D288 | S286-N291 WeakPolarHBondContact CB-O 3.27Å; S286-N291 PolarHBondContact N-O 2.72Å; D288-N291 PolarHBondContact OD1-N 2.76Å; D288-N291 PolarHBondContact OD2-ND2 3.42Å | ||
| 292 | C | 94.2 | Very high | 91.5 | Very high | 21 Ų | 21 | 72.7 Ų | 72.7 | 14% | 0.142 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.7 | 176.7 | -70 | 0 | 0 | 0 | 0 | 109 | Q266 C279 Y283 E284 | Q266-C292 HydrophobicContact CG-CB 3.93Å; C279-C292 WeakPolarHBondContact CA-SG 3.46Å; C279-C292 HydrophobicContact CB-CB 3.81Å; C279-C292 WeakPolarHBondContact CB-SG 3.41Å; C279-C292 VanDerWaalsContact SG-CA 3.52Å; C279-C292 WeakPolarHBondContact SG-CB 3.39Å; C279-C292 CovalentContact SG-SG 2.04Å; C279-C292 PolarHBondContact SG-SG 3.36Å; Y283-C292 HydrophobicContact CD1-CB 4.43Å; E284-C292 CarbonylContact O-C 3.58Å; E284-C292 WeakPolarHBondContact O-CA 3.35Å |
| 293 | E | 94.2 | Very high | 91.1 | Very high | 104 Ų | 104 | 82.2 Ų | 82.2 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 149.6 | 177.7 | -72.1 | 178 | -144.1 | 0 | 0 | 110.2 | Y283 E284 S286 | Y283-E293 CarbonylContact C-O 3.57Å; Y283-E293 WeakPolarHBondContact CA-O 3.44Å; Y283-E293 WeakPolarHBondContact CB-O 3.2Å; E284-E293 PolarHBondContact N-O 3.17Å; E284-E293 PolarHBondContact O-N 2.89Å; S286-E293 WeakPolarHBondContact CB-OE1 3.39Å; S286-E293 PolarHBondContact OG-OE1 3.34Å |
| 294 | D | 95.4 | Very high | 90.8 | Very high | 50 Ų | 50 | 80.7 Ų | 80.7 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.9 | -178.7 | -177.2 | 50 | 0 | 0 | 0 | 110.9 | Y283 D296 N311 P313 G314 | Y283-D294 HydrophobicContact CD1-CB 4.42Å; Y283-D294 HydrophobicContact CE1-CB 4.29Å; D294-D296 PolarHBondContact O-N 3.24Å; D294-N311 PolarHBondContact OD2-ND2 3.31Å; D294-P313 WeakPolarHBondContact OD1-CA 3.46Å; D294-G314 PolarHBondContact OD1-N 3.36Å |
| 295 | I | 94 | Very high | 90.7 | Very high | 52 Ų | 52 | 76.1 Ų | 76.1 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | trans | -78.4 | 110.1 | 179.1 | -60.3 | 172.3 | 0 | 0 | 0 | 108.3 | G282 E284 E297 N311 | G282-I295 WeakPolarHBondContact O-CB 3.42Å; G282-I295 PolarHBondContact O-N 3.45Å; E284-I295 HydrophobicContact CB-CD1 4.21Å; E284-I295 HydrophobicContact CB-CG1 3.91Å; E284-I295 HydrophobicContact CG-CG1 3.99Å; I295-E297 VanDerWaalsContact C-N 3.29Å; I295-E297 HydrophobicContact CG2-CG 4.14Å; I295-E297 WeakPolarHBondContact O-CG 3.08Å; I295-E297 PolarHBondContact O-N 2.98Å; I295-N311 PolarHBondContact O-OD1 2.84Å | ||
| 296 | D | 93.8 | Very high | 90.5 | Very high | 54 Ų | 54 | 76.9 Ų | 76.9 | 29% | 0.289 | 40% | 0.396 | S | S | . | . | trans | -70.4 | 86.7 | 172.8 | -169.5 | -27.3 | 0 | 0 | 0 | 110.7 | D294 C298 R299 T300 N311 | D294-D296 PolarHBondContact O-N 3.24Å; D296-C298 PolarHBondContact O-N 3.05Å; D296-C298 WeakPolarHBondContact OD1-CB 3.47Å; D296-C298 PolarHBondContact OD1-N 2.73Å; D296-R299 HydrophobicContact CB-CB 4.18Å; D296-R299 HydrophobicContact CB-CG 4.27Å; D296-R299 VanDerWaalsContact CG-CD 3.48Å; D296-R299 VanDerWaalsContact CG-CG 3.43Å; D296-R299 PolarHBondContact O-N 2.99Å; D296-R299 VanDerWaalsContact O-N 3.17Å; D296-R299 WeakPolarHBondContact OD1-CG 3.45Å; D296-R299 PolarHBondContact OD1-N 3.22Å; D296-R299 WeakPolarHBondContact OD2-CD 3.25Å; D296-R299 VanDerWaalsContact OD2-CG 3.25Å; D296-R299 WeakPolarHBondContact OD2-CG 2.95Å; D296-T300 PolarHBondContact O-N 2.83Å; D296-T300 VanDerWaalsContact O-N 3.14Å; D296-T300 PolarHBondContact O-OG1 3Å; D296-N311 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 297 | E | 93.1 | Very high | 90.4 | Very high | 40 Ų | 40 | 81.3 Ų | 81.3 | 19% | 0.187 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.8 | -33.2 | -177.6 | -62.5 | 139.2 | 134.6 | 0 | 0 | 110.4 | I295 R299 T300 S301 L304 N311 F316 | I295-E297 VanDerWaalsContact C-N 3.29Å; I295-E297 HydrophobicContact CG2-CG 4.14Å; I295-E297 WeakPolarHBondContact O-CG 3.08Å; I295-E297 PolarHBondContact O-N 2.98Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 3.33Å; E297-T300 WeakPolarHBondContact O-CB 3.4Å; E297-T300 PolarHBondContact O-N 2.82Å; E297-S301 PolarHBondContact O-N 3.43Å; E297-L304 VanDerWaalsContact C-CD1 3.48Å; E297-L304 HydrophobicContact CB-CD1 3.75Å; E297-L304 WeakPolarHBondContact O-CD1 3.1Å; E297-N311 PolarHBondContact N-OD1 2.99Å; E297-F316 HydrophobicContact CB-CB 4.29Å; E297-F316 HydrophobicContact CB-CD1 3.87Å; E297-F316 HydrophobicContact CB-CG 4.3Å; E297-F316 HydrophobicContact CG-CD1 4.18Å; E297-F316 WeakPolarHBondContact OE2-CB 3.3Å; E297-F316 WeakPolarHBondContact OE2-CD1 3.4Å; E297-F316 PolarHBondContact OE2-N 2.87Å |
| 298 | C | 92.7 | Very high | 90.4 | Very high | 33 Ų | 33 | 80 Ų | 80 | 22% | 0.223 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.2 | -29.9 | 176 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | D296 C309 V310 N311 | D296-C298 PolarHBondContact O-N 3.05Å; D296-C298 WeakPolarHBondContact OD1-CB 3.47Å; D296-C298 PolarHBondContact OD1-N 2.73Å; C298-C309 WeakPolarHBondContact CA-SG 3.41Å; C298-C309 HydrophobicContact CB-CB 3.7Å; C298-C309 WeakPolarHBondContact CB-SG 3.48Å; C298-C309 WeakPolarHBondContact SG-CB 3.39Å; C298-C309 CovalentContact SG-SG 2.04Å; C298-C309 PolarHBondContact SG-SG 3.38Å; C298-V310 PolarHBondContact SG-N 3.16Å; C298-V310 VanDerWaalsContact SG-N 3.44Å; C298-N311 PolarHBondContact SG-N 2.04Å; C298-N311 VanDerWaalsContact SG-N 3.43Å |
| 299 | R | 92 | Very high | 90.6 | Very high | 214 Ų | 214 | 78.2 Ų | 78.2 | 81% | 0.808 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -81.3 | -24.6 | 169.8 | -71.7 | 177.7 | 71.8 | 174.1 | -0.6 | 113.5 | D296 E297 | D296-R299 HydrophobicContact CB-CB 4.18Å; D296-R299 HydrophobicContact CB-CG 4.27Å; D296-R299 VanDerWaalsContact CG-CD 3.48Å; D296-R299 VanDerWaalsContact CG-CG 3.43Å; D296-R299 PolarHBondContact O-N 2.99Å; D296-R299 VanDerWaalsContact O-N 3.17Å; D296-R299 WeakPolarHBondContact OD1-CG 3.45Å; D296-R299 PolarHBondContact OD1-N 3.22Å; D296-R299 WeakPolarHBondContact OD2-CD 3.25Å; D296-R299 VanDerWaalsContact OD2-CG 3.25Å; D296-R299 WeakPolarHBondContact OD2-CG 2.95Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 3.33Å |
| 300 | T | 86.9 | Confident | 90.9 | Very high | 110 Ų | 110 | 75.5 Ų | 75.5 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -77 | -35.3 | -178.7 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | D296 E297 | D296-T300 PolarHBondContact O-N 2.83Å; D296-T300 VanDerWaalsContact O-N 3.14Å; D296-T300 PolarHBondContact O-OG1 3Å; E297-T300 WeakPolarHBondContact O-CB 3.4Å; E297-T300 PolarHBondContact O-N 2.82Å |
| 301 | S | 84.8 | Confident | 91.1 | Very high | 43 Ų | 43 | 75.1 Ų | 75.1 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | trans | -151 | 123.8 | 178 | 177.4 | 0 | 0 | 0 | 0 | 114.1 | E297 Y303 L304 | E297-S301 PolarHBondContact O-N 3.43Å; S301-Y303 PolarHBondContact O-N 3.25Å; S301-Y303 PolarHBondContact OG-N 3.46Å; S301-L304 WeakPolarHBondContact O-CG 3.43Å | ||
| 302 | S | 82.7 | Confident | 91.2 | Very high | 97 Ų | 97 | 74.1 Ų | 74.1 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.4 | 174.5 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 303 | Y | 85.6 | Confident | 91.2 | Very high | 208 Ų | 208 | 78 Ų | 78 | 82% | 0.816 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 9.7 | -175.8 | -56.2 | -76 | 0 | 0 | 0 | 113.9 | S301 | S301-Y303 PolarHBondContact O-N 3.25Å; S301-Y303 PolarHBondContact OG-N 3.46Å |
| 304 | L | 88.5 | Confident | 91.1 | Very high | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -69.1 | -36 | -179.8 | -70.3 | 175.5 | 0 | 0 | 0 | 113.4 | E297 S301 F316 R330 | E297-L304 VanDerWaalsContact C-CD1 3.48Å; E297-L304 HydrophobicContact CB-CD1 3.75Å; E297-L304 WeakPolarHBondContact O-CD1 3.1Å; S301-L304 WeakPolarHBondContact O-CG 3.43Å; L304-F316 HydrophobicContact CB-CD2 4.31Å; L304-F316 HydrophobicContact CB-CE2 3.79Å; L304-F316 HydrophobicContact CB-CZ 4.14Å; L304-F316 HydrophobicContact CD1-CD1 4.4Å; L304-F316 HydrophobicContact CD1-CD2 4.4Å; L304-F316 HydrophobicContact CD1-CE1 4.32Å; L304-F316 HydrophobicContact CD1-CE2 4.33Å; L304-F316 HydrophobicContact CD1-CG 4.43Å; L304-F316 HydrophobicContact CD1-CZ 4.28Å; L304-F316 HydrophobicContact CD2-CE1 4.31Å; L304-F316 HydrophobicContact CD2-CE2 4.45Å; L304-F316 HydrophobicContact CD2-CZ 3.92Å; L304-F316 HydrophobicContact CG-CE2 4.42Å; L304-F316 HydrophobicContact CG-CZ 4.34Å; L304-R330 VanDerWaalsContact O-CD 3.32Å; L304-R330 WeakPolarHBondContact O-CD 3.33Å; L304-R330 WeakPolarHBondContact O-CG 3.18Å |
| 305 | C | 90.9 | Very high | 91 | Very high | 17 Ų | 17 | 76.7 Ų | 76.7 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -127.1 | 147.4 | -175.4 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | Y307 Q308 C309 C318 | C305-Y307 VanDerWaalsContact C-N 3.32Å; C305-Y307 PolarHBondContact O-N 3.28Å; C305-Q308 WeakPolarHBondContact CB-O 3.45Å; C305-C309 HydrophobicContact CB-CB 4.23Å; C305-C318 WeakPolarHBondContact CA-SG 3.06Å; C305-C318 HydrophobicContact CB-CB 3.63Å; C305-C318 WeakPolarHBondContact CB-SG 3.08Å; C305-C318 WeakPolarHBondContact SG-CA 3.39Å; C305-C318 WeakPolarHBondContact SG-CB 3.08Å; C305-C318 CovalentContact SG-SG 2.03Å; C305-C318 PolarHBondContact SG-SG 2.84Å |
| 306 | Q | 88.4 | Confident | 91 | Very high | 88 Ų | 88 | 76.2 Ų | 76.2 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -72.3 | -23.1 | -179.8 | -174.6 | 170.6 | 0.9 | 0 | 0 | 114.1 | R330 T331 F493 | Q306-R330 WeakPolarHBondContact CB-O 3.32Å; Q306-R330 PolarHBondContact N-O 3.13Å; Q306-T331 VanDerWaalsContact OE1-CB 3.22Å; Q306-F493 HydrophobicContact CG-CD1 4.43Å |
| 307 | Y | 89.4 | Confident | 91 | Very high | 108 Ų | 108 | 75.6 Ų | 75.6 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -128.7 | -73.1 | 179.3 | 178.5 | -108.5 | 0 | 0 | 0 | 112.2 | C305 P321 F491 F493 | C305-Y307 VanDerWaalsContact C-N 3.32Å; C305-Y307 PolarHBondContact O-N 3.28Å; Y307-P321 HydrophobicContact CD1-CB 4.41Å; Y307-P321 HydrophobicContact CD1-CG 4.33Å; Y307-P321 HydrophobicContact CD2-CG 4.4Å; Y307-P321 HydrophobicContact CE1-CB 3.98Å; Y307-P321 HydrophobicContact CE1-CG 4.34Å; Y307-P321 HydrophobicContact CE2-CG 4.43Å; Y307-P321 HydrophobicContact CG-CG 4.36Å; Y307-F491 HydrophobicContact CD2-CE1 4.33Å; Y307-F491 HydrophobicContact CE2-CD1 4.19Å; Y307-F491 AromaticContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CZ 4.24Å; Y307-F493 HydrophobicContact CD2-CE1 4.5Å; Y307-F493 HydrophobicContact CD2-CZ 4.49Å |
| 308 | Q | 91.7 | Very high | 91.1 | Very high | 95 Ų | 95 | 74.3 Ų | 74.3 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.6 | -177.5 | -174.9 | 171.4 | 4.1 | 0 | 0 | 110.9 | C305 C318 M319 | C305-Q308 WeakPolarHBondContact CB-O 3.45Å; Q308-C318 CarbonylContact O-C 3.56Å; Q308-C318 WeakPolarHBondContact O-CA 3.03Å; Q308-M319 HydrophobicContact CB-CB 4.38Å; Q308-M319 PolarHBondContact N-O 2.04Å; Q308-M319 PolarHBondContact O-N 3.11Å |
| 309 | C | 94.6 | Very high | 91.1 | Very high | 35 Ų | 35 | 77.4 Ų | 77.4 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 138.5 | 171.3 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | C298 C305 | C298-C309 WeakPolarHBondContact CA-SG 3.41Å; C298-C309 HydrophobicContact CB-CB 3.7Å; C298-C309 WeakPolarHBondContact CB-SG 3.48Å; C298-C309 WeakPolarHBondContact SG-CB 3.39Å; C298-C309 CovalentContact SG-SG 2.04Å; C298-C309 PolarHBondContact SG-SG 3.38Å; C305-C309 HydrophobicContact CB-CB 4.23Å |
| 310 | V | 94.7 | Very high | 91.2 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.7 | 172 | 177.7 | 0 | 0 | 0 | 0 | 108 | C298 F316 S317 M319 | C298-V310 PolarHBondContact SG-N 3.16Å; C298-V310 VanDerWaalsContact SG-N 3.44Å; V310-F316 WeakPolarHBondContact O-CA 3.01Å; V310-S317 PolarHBondContact N-O 2.91Å; V310-S317 PolarHBondContact O-N 2.83Å; V310-M319 HydrophobicContact CG2-CG 3.98Å; V310-M319 HydrophobicContact CG2-SD 3.6Å |
| 311 | N | 94.1 | Very high | 91.4 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.3 | 178.9 | -164.5 | 62.3 | 0 | 0 | 0 | 110.3 | D294 I295 D296 E297 C298 | D294-N311 PolarHBondContact OD2-ND2 3.31Å; I295-N311 PolarHBondContact O-OD1 2.84Å; D296-N311 WeakPolarHBondContact CA-OD1 3.37Å; E297-N311 PolarHBondContact N-OD1 2.99Å; C298-N311 PolarHBondContact SG-N 2.04Å; C298-N311 VanDerWaalsContact SG-N 3.43Å |
| 312 | E | 94.1 | Very high | 91.7 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.2 | 175.5 | -49.6 | 168.8 | 78.3 | 0 | 0 | 109.4 | G314 K315 S317 | E312-G314 PolarHBondContact O-N 3.05Å; E312-K315 CarbonylContact C-O 3.3Å; E312-K315 VanDerWaalsContact C-O 3.31Å; E312-K315 VanDerWaalsContact CA-O 3.27Å; E312-K315 WeakPolarHBondContact CA-O 3.4Å; E312-K315 HydrophobicContact CB-CG 4.25Å; E312-K315 WeakPolarHBondContact CB-O 3.17Å; E312-K315 PolarHBondContact N-O 3.14Å; E312-K315 CarbonylContact O-C 3.55Å; E312-K315 PolarHBondContact O-N 3.17Å; E312-K315 IonicContact OE1-NZ 2.68Å; E312-K315 PolarHBondContact OE1-NZ 3.25Å; E312-K315 IonicContact OE2-NZ 3.55Å; E312-K315 PolarHBondContact OE2-NZ 2.72Å; E312-S317 WeakPolarHBondContact OE2-CB 3.32Å; E312-S317 PolarHBondContact OE2-OG 2.54Å |
| 313 | P | 93.8 | Very high | 92.1 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 66% | 0.656 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 110.6 | -177.2 | -27.6 | 36.6 | 0 | 0 | 0 | 113.8 | Y283 D294 | Y283-P313 WeakPolarHBondContact OH-CB 3.17Å; Y283-P313 PolarHBondContact OH-O 2.76Å; D294-P313 WeakPolarHBondContact OD1-CA 3.46Å |
| 314 | G | 92 | Very high | 92.4 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 22% | 0.216 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 6.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y283 D294 E312 | Y283-G314 PolarHBondContact OH-N 2.97Å; D294-G314 PolarHBondContact OD1-N 3.36Å; E312-G314 PolarHBondContact O-N 3.05Å |
| 315 | K | 93.5 | Very high | 92.6 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 148.2 | 179 | 66.3 | -170.1 | 176.5 | 75.3 | 0 | 112.8 | E312 | E312-K315 CarbonylContact C-O 3.3Å; E312-K315 VanDerWaalsContact C-O 3.31Å; E312-K315 VanDerWaalsContact CA-O 3.27Å; E312-K315 WeakPolarHBondContact CA-O 3.4Å; E312-K315 HydrophobicContact CB-CG 4.25Å; E312-K315 WeakPolarHBondContact CB-O 3.17Å; E312-K315 PolarHBondContact N-O 3.14Å; E312-K315 CarbonylContact O-C 3.55Å; E312-K315 PolarHBondContact O-N 3.17Å; E312-K315 IonicContact OE1-NZ 2.68Å; E312-K315 PolarHBondContact OE1-NZ 3.25Å; E312-K315 IonicContact OE2-NZ 3.55Å; E312-K315 PolarHBondContact OE2-NZ 2.72Å |
| 316 | F | 93.5 | Very high | 92.7 | Very high | 43 Ų | 43 | 62.7 Ų | 62.7 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 156 | 161.4 | 70.8 | -76.5 | 0 | 0 | 0 | 113.3 | E297 L304 V310 | E297-F316 HydrophobicContact CB-CB 4.29Å; E297-F316 HydrophobicContact CB-CD1 3.87Å; E297-F316 HydrophobicContact CB-CG 4.3Å; E297-F316 HydrophobicContact CG-CD1 4.18Å; E297-F316 WeakPolarHBondContact OE2-CB 3.3Å; E297-F316 WeakPolarHBondContact OE2-CD1 3.4Å; E297-F316 PolarHBondContact OE2-N 2.87Å; L304-F316 HydrophobicContact CB-CD2 4.31Å; L304-F316 HydrophobicContact CB-CE2 3.79Å; L304-F316 HydrophobicContact CB-CZ 4.14Å; L304-F316 HydrophobicContact CD1-CD1 4.4Å; L304-F316 HydrophobicContact CD1-CD2 4.4Å; L304-F316 HydrophobicContact CD1-CE1 4.32Å; L304-F316 HydrophobicContact CD1-CE2 4.33Å; L304-F316 HydrophobicContact CD1-CG 4.43Å; L304-F316 HydrophobicContact CD1-CZ 4.28Å; L304-F316 HydrophobicContact CD2-CE1 4.31Å; L304-F316 HydrophobicContact CD2-CE2 4.45Å; L304-F316 HydrophobicContact CD2-CZ 3.92Å; L304-F316 HydrophobicContact CG-CE2 4.42Å; L304-F316 HydrophobicContact CG-CZ 4.34Å; V310-F316 WeakPolarHBondContact O-CA 3.01Å |
| 317 | S | 93.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 148.8 | 162.8 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | V310 E312 | V310-S317 PolarHBondContact N-O 2.91Å; V310-S317 PolarHBondContact O-N 2.83Å; E312-S317 WeakPolarHBondContact OE2-CB 3.32Å; E312-S317 PolarHBondContact OE2-OG 2.54Å |
| 318 | C | 94.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 65.9 Ų | 65.9 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.2 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | C305 Q308 V326 S329 | C305-C318 WeakPolarHBondContact CA-SG 3.06Å; C305-C318 HydrophobicContact CB-CB 3.63Å; C305-C318 WeakPolarHBondContact CB-SG 3.08Å; C305-C318 WeakPolarHBondContact SG-CA 3.39Å; C305-C318 WeakPolarHBondContact SG-CB 3.08Å; C305-C318 CovalentContact SG-SG 2.03Å; C305-C318 PolarHBondContact SG-SG 2.84Å; Q308-C318 CarbonylContact O-C 3.56Å; Q308-C318 WeakPolarHBondContact O-CA 3.03Å; C318-V326 VanDerWaalsContact O-CG2 3.23Å; C318-V326 WeakPolarHBondContact O-CG2 3.46Å; C318-S329 WeakPolarHBondContact CB-O 3.38Å; C318-S329 PolarHBondContact SG-O 2.91Å; C318-S329 VanDerWaalsContact SG-O 3.32Å |
| 319 | M | 93.9 | Very high | 92.6 | Very high | 99 Ų | 99 | 65.8 Ų | 65.8 | 49% | 0.488 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145.5 | 172.5 | -67.8 | -172.3 | 70.4 | 0 | 0 | 110.6 | Q308 V310 | Q308-M319 HydrophobicContact CB-CB 4.38Å; Q308-M319 PolarHBondContact N-O 2.04Å; Q308-M319 PolarHBondContact O-N 3.11Å; V310-M319 HydrophobicContact CG2-CG 3.98Å; V310-M319 HydrophobicContact CG2-SD 3.6Å |
| 320 | C | 93.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | trans | -110.1 | 154.6 | 172.3 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | V326 C332 | C320-V326 HydrophobicContact CB-CG2 4.31Å; C320-V326 VanDerWaalsContact SG-CG2 3.59Å; C320-C332 WeakPolarHBondContact CA-SG 3.02Å; C320-C332 HydrophobicContact CB-CB 3.84Å; C320-C332 WeakPolarHBondContact CB-SG 3.32Å; C320-C332 WeakPolarHBondContact SG-CA 3.43Å; C320-C332 WeakPolarHBondContact SG-CB 3.3Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.21Å | ||
| 321 | P | 92.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 70.7 Ų | 70.7 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | trans | -71.1 | 167.1 | 175.5 | 31.1 | -32.1 | 0 | 0 | 0 | 110.8 | Y307 Y324 F491 F493 | Y307-P321 HydrophobicContact CD1-CB 4.41Å; Y307-P321 HydrophobicContact CD1-CG 4.33Å; Y307-P321 HydrophobicContact CD2-CG 4.4Å; Y307-P321 HydrophobicContact CE1-CB 3.98Å; Y307-P321 HydrophobicContact CE1-CG 4.34Å; Y307-P321 HydrophobicContact CE2-CG 4.43Å; Y307-P321 HydrophobicContact CG-CG 4.36Å; P321-Y324 HydrophobicContact CG-CD2 3.85Å; P321-Y324 HydrophobicContact CG-CE2 4.35Å; P321-Y324 HydrophobicContact CG-CG 4.46Å; P321-Y324 WeakPolarHBondContact O-CB 3.44Å; P321-Y324 PolarHBondContact O-N 2.03Å; P321-Y324 VanDerWaalsContact O-N 3.12Å; P321-F491 HydrophobicContact CB-CD2 4.1Å; P321-F491 HydrophobicContact CB-CE1 4.31Å; P321-F491 HydrophobicContact CB-CE2 3.35Å; P321-F491 HydrophobicContact CB-CZ 3.47Å; P321-F491 VanDerWaalsContact CB-CZ 3.47Å; P321-F491 HydrophobicContact CG-CD1 4.33Å; P321-F491 HydrophobicContact CG-CD2 3.51Å; P321-F491 HydrophobicContact CG-CE1 4.15Å; P321-F491 HydrophobicContact CG-CE2 3.3Å; P321-F491 HydrophobicContact CG-CG 4.04Å; P321-F491 HydrophobicContact CG-CZ 3.65Å; P321-F493 HydrophobicContact CG-CE2 4.24Å; P321-F493 HydrophobicContact CG-CZ 3.78Å | ||
| 322 | Q | 90.9 | Very high | 92.1 | Very high | 191 Ų | 191 | 68.8 Ų | 68.8 | 89% | 0.893 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 140.2 | 176.4 | -172.7 | 175.5 | -0.6 | 0 | 0 | 111.6 | ||
| 323 | G | 90 | Very high | 92 | Very high | 9 Ų | 9 | 71 Ų | 71 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -1.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I335 | G323-I335 PolarHBondContact O-N 2.89Š|
| 324 | Y | 92.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 5% | 0.051 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145 | -178.9 | -63.4 | -98.5 | 0 | 0 | 0 | 112.4 | P321 Q333 D334 H354 G355 F491 F493 | P321-Y324 HydrophobicContact CG-CD2 3.85Å; P321-Y324 HydrophobicContact CG-CE2 4.35Å; P321-Y324 HydrophobicContact CG-CG 4.46Å; P321-Y324 WeakPolarHBondContact O-CB 3.44Å; P321-Y324 PolarHBondContact O-N 2.03Å; P321-Y324 VanDerWaalsContact O-N 3.12Å; Y324-Q333 CarbonylContact C-O 3.26Å; Y324-Q333 WeakPolarHBondContact CA-O 3Å; Y324-D334 HydrophobicContact CD1-CB 4.36Å; Y324-D334 HydrophobicContact CE1-CB 4.23Å; Y324-H354 VanDerWaalsContact OH-C 3.31Å; Y324-G355 PolarHBondContact OH-N 3.06Å; Y324-F491 HydrophobicContact CD2-CD2 4.36Å; Y324-F491 HydrophobicContact CE2-CB 4.44Å; Y324-F491 AromaticContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CE2 4.48Å; Y324-F491 HydrophobicContact CE2-CG 4.48Å; Y324-F493 AromaticContact CD1-CD2 3.53Å; Y324-F493 HydrophobicContact CD1-CD2 3.53Å; Y324-F493 AromaticContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD2-CE2 4.02Å; Y324-F493 AromaticContact CE1-CD2 3.3Å; Y324-F493 HydrophobicContact CE1-CD2 3.3Å; Y324-F493 AromaticContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CG 4.47Å; Y324-F493 HydrophobicContact CE2-CE2 4.06Å; Y324-F493 HydrophobicContact CG-CD2 4.31Å; Y324-F493 AromaticContact CG-CE2 3.66Å; Y324-F493 HydrophobicContact CG-CE2 3.66Å; Y324-F493 AromaticContact CZ-CD2 3.93Å; Y324-F493 AromaticContact CZ-CE2 3.74Å |
| 325 | Q | 92.4 | Very high | 91.9 | Very high | 97 Ų | 97 | 68.9 Ų | 68.9 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.9 | 176.2 | 58.5 | 176.9 | -3.5 | 0 | 0 | 111.8 | V327 Q333 I335 | Q325-V327 HydrophobicContact CG-CG2 4.27Å; Q325-V327 PolarHBondContact O-N 2.9Å; Q325-Q333 PolarHBondContact N-O 3.47Å; Q325-Q333 PolarHBondContact O-N 2.9Å; Q325-I335 HydrophobicContact CB-CD1 4.18Å; Q325-I335 HydrophobicContact CB-CG1 3.89Å; Q325-I335 HydrophobicContact CG-CG1 3.9Å |
| 326 | V | 93.2 | Very high | 91.8 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | C318 C320 T331 | C318-V326 VanDerWaalsContact O-CG2 3.23Å; C318-V326 WeakPolarHBondContact O-CG2 3.46Å; C320-V326 HydrophobicContact CB-CG2 4.31Å; C320-V326 VanDerWaalsContact SG-CG2 3.59Å; V326-T331 CarbonylContact C-O 3.57Å; V326-T331 WeakPolarHBondContact CA-O 3.35Å |
| 327 | V | 91.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.8 | 176.3 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | Q325 S329 R330 T331 Q333 | Q325-V327 HydrophobicContact CG-CG2 4.27Å; Q325-V327 PolarHBondContact O-N 2.9Å; V327-S329 PolarHBondContact O-N 3.39Å; V327-S329 VanDerWaalsContact O-N 3.13Å; V327-R330 PolarHBondContact O-N 3.12Å; V327-T331 PolarHBondContact N-O 2.75Å; V327-T331 PolarHBondContact O-N 2.95Å; V327-T331 PolarHBondContact O-OG1 3.28Å; V327-Q333 HydrophobicContact CB-CB 4.33Å; V327-Q333 HydrophobicContact CG2-CB 3.63Å |
| 328 | R | 89 | Confident | 91.8 | Very high | 226 Ų | 226 | 65.1 Ų | 65.1 | 85% | 0.853 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 33.8 | -175.9 | -61.6 | 171 | -177.7 | 179.4 | 1.2 | 113.3 | R330 | R328-R330 PolarHBondContact O-N 2.83Š|
| 329 | S | 88 | Confident | 91.7 | Very high | 94 Ų | 94 | 72.1 Ų | 72.1 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 1.6 | 179.6 | -47.1 | 0 | 0 | 0 | 0 | 117.1 | C318 V327 | C318-S329 WeakPolarHBondContact CB-O 3.38Å; C318-S329 PolarHBondContact SG-O 2.91Å; C318-S329 VanDerWaalsContact SG-O 3.32Å; V327-S329 PolarHBondContact O-N 3.39Å; V327-S329 VanDerWaalsContact O-N 3.13Å |
| 330 | R | 89.8 | Confident | 91.5 | Very high | 127 Ų | 127 | 72.1 Ų | 72.1 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | -25.7 | -173.4 | -64.8 | -174.2 | -179.9 | -164.9 | 1.2 | 115.5 | L304 Q306 V327 R328 | L304-R330 VanDerWaalsContact O-CD 3.32Å; L304-R330 WeakPolarHBondContact O-CD 3.33Å; L304-R330 WeakPolarHBondContact O-CG 3.18Å; Q306-R330 WeakPolarHBondContact CB-O 3.32Å; Q306-R330 PolarHBondContact N-O 3.13Å; V327-R330 PolarHBondContact O-N 3.12Å; R328-R330 PolarHBondContact O-N 2.83Å |
| 331 | T | 91.3 | Very high | 90.9 | Very high | 58 Ų | 58 | 73 Ų | 73 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 147.6 | -176.7 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | Q306 V326 V327 | Q306-T331 VanDerWaalsContact OE1-CB 3.22Å; V326-T331 CarbonylContact C-O 3.57Å; V326-T331 WeakPolarHBondContact CA-O 3.35Å; V327-T331 PolarHBondContact N-O 2.75Å; V327-T331 PolarHBondContact O-N 2.95Å; V327-T331 PolarHBondContact O-OG1 3.28Å |
| 332 | C | 92.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 79.9 Ų | 79.9 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.3 | 176.2 | -63.5 | 0 | 0 | 0 | 0 | 109.6 | C320 F493 | C320-C332 WeakPolarHBondContact CA-SG 3.02Å; C320-C332 HydrophobicContact CB-CB 3.84Å; C320-C332 WeakPolarHBondContact CB-SG 3.32Å; C320-C332 WeakPolarHBondContact SG-CA 3.43Å; C320-C332 WeakPolarHBondContact SG-CB 3.3Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.21Å; C332-F493 HydrophobicContact CB-CD2 3.7Å; C332-F493 HydrophobicContact CB-CE2 3.37Å; C332-F493 HydrophobicContact CB-CZ 3.97Å |
| 333 | Q | 91.2 | Very high | 90.5 | Very high | 109 Ų | 109 | 77.4 Ų | 77.4 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.1 | 174.6 | -173.7 | 175.4 | -15 | 0 | 0 | 109.5 | Y324 Q325 V327 I335 | Y324-Q333 CarbonylContact C-O 3.26Å; Y324-Q333 WeakPolarHBondContact CA-O 3Å; Q325-Q333 PolarHBondContact N-O 3.47Å; Q325-Q333 PolarHBondContact O-N 2.9Å; V327-Q333 HydrophobicContact CB-CB 4.33Å; V327-Q333 HydrophobicContact CG2-CB 3.63Å; Q333-I335 PolarHBondContact O-N 3.26Å |
| 334 | D | 91 | Very high | 90.6 | Very high | 33 Ų | 33 | 78 Ų | 78 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 133.7 | 172.2 | -169.1 | 49 | 0 | 0 | 0 | 111.2 | Y324 N352 Y353 H354 G355 | Y324-D334 HydrophobicContact CD1-CB 4.36Å; Y324-D334 HydrophobicContact CE1-CB 4.23Å; D334-N352 PolarHBondContact OD2-ND2 3.43Å; D334-Y353 VanDerWaalsContact OD1-O 3.09Å; D334-H354 VanDerWaalsContact OD1-CA 3.29Å; D334-H354 WeakPolarHBondContact OD1-CA 3.32Å; D334-G355 PolarHBondContact OD1-N 3.19Å |
| 335 | I | 92.4 | Very high | 90.7 | Very high | 43 Ų | 43 | 85.4 Ų | 85.4 | 22% | 0.221 | 42% | 0.423 | C | S | . | . | trans | -82.3 | 130 | 170.3 | -62.7 | 171.2 | 0 | 0 | 0 | 106.7 | G323 Q325 Q333 E337 T340 N352 | G323-I335 PolarHBondContact O-N 2.89Å; Q325-I335 HydrophobicContact CB-CD1 4.18Å; Q325-I335 HydrophobicContact CB-CG1 3.89Å; Q325-I335 HydrophobicContact CG-CG1 3.9Å; Q333-I335 PolarHBondContact O-N 3.26Å; I335-E337 HydrophobicContact CG2-CG 4.06Å; I335-E337 PolarHBondContact O-N 3.28Å; I335-E337 VanDerWaalsContact O-N 3.11Å; I335-T340 HydrophobicContact CG2-CG2 4.4Å; I335-N352 PolarHBondContact O-ND2 2.85Å; I335-N352 PolarHBondContact O-OD1 2.84Å | ||
| 336 | N | 92.6 | Very high | 90.6 | Very high | 48 Ų | 48 | 89.5 Ų | 89.5 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | trans | -81.6 | 86.5 | 169.4 | -169.9 | -8.4 | 0 | 0 | 0 | 109.1 | C338 E339 T340 N352 | N336-C338 PolarHBondContact O-N 2.86Å; N336-C338 WeakPolarHBondContact OD1-CB 3.41Å; N336-C338 PolarHBondContact OD1-N 2.85Å; N336-E339 HydrophobicContact CB-CB 4.21Å; N336-E339 HydrophobicContact CB-CG 4.41Å; N336-E339 WeakPolarHBondContact ND2-CG 3.45Å; N336-E339 PolarHBondContact ND2-OE1 2.9Å; N336-E339 PolarHBondContact ND2-OE2 2.78Å; N336-E339 PolarHBondContact O-N 2.9Å; N336-T340 PolarHBondContact O-N 3Å; N336-T340 VanDerWaalsContact O-N 3.07Å; N336-T340 PolarHBondContact O-OG1 3.31Å; N336-N352 VanDerWaalsContact CA-OD1 3.32Å; N336-N352 WeakPolarHBondContact CA-OD1 3.34Å; N336-N352 WeakPolarHBondContact OD1-CB 3.25Å; N336-N352 VanDerWaalsContact OD1-CG 3.3Å; N336-N352 PolarHBondContact OD1-OD1 3.43Å | ||
| 337 | E | 93.4 | Very high | 90.5 | Very high | 22 Ų | 22 | 91.4 Ų | 91.4 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.1 | -19.8 | -179.4 | -62.5 | 99.5 | 175.8 | 0 | 0 | 112.5 | I335 E339 T340 T341 N352 G356 F357 | I335-E337 HydrophobicContact CG2-CG 4.06Å; I335-E337 PolarHBondContact O-N 3.28Å; I335-E337 VanDerWaalsContact O-N 3.11Å; E337-E339 PolarHBondContact O-N 2.04Å; E337-T340 WeakPolarHBondContact CA-OG1 3.02Å; E337-T341 HydrophobicContact CB-CG2 3.94Å; E337-T341 HydrophobicContact CG-CG2 4.25Å; E337-T341 CarbonylContact O-C 3.53Å; E337-T341 WeakPolarHBondContact O-CA 3.4Å; E337-T341 WeakPolarHBondContact O-CB 3.02Å; E337-T341 PolarHBondContact O-N 3.16Å; E337-T341 VanDerWaalsContact O-O 3.14Å; E337-T341 PolarHBondContact O-OG1 3.38Å; E337-N352 PolarHBondContact N-OD1 2.7Å; E337-N352 PolarHBondContact OE2-OD1 3.34Å; E337-G356 WeakPolarHBondContact OE2-CA 3.49Å; E337-F357 HydrophobicContact CB-CB 3.98Å; E337-F357 HydrophobicContact CB-CD1 3.3Å; E337-F357 HydrophobicContact CB-CE1 3.98Å; E337-F357 HydrophobicContact CB-CG 3.76Å; E337-F357 HydrophobicContact CG-CD1 3.78Å; E337-F357 HydrophobicContact CG-CE1 4.35Å; E337-F357 PolarHBondContact OE2-N 2.85Å |
| 338 | C | 93 | Very high | 90.6 | Very high | 41 Ų | 41 | 91.4 Ų | 91.4 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.9 | -13.3 | 170.9 | -58.8 | 0 | 0 | 0 | 0 | 114.3 | N336 C350 W351 N352 | N336-C338 PolarHBondContact O-N 2.86Å; N336-C338 WeakPolarHBondContact OD1-CB 3.41Å; N336-C338 PolarHBondContact OD1-N 2.85Å; C338-C350 WeakPolarHBondContact CA-SG 2.95Å; C338-C350 HydrophobicContact CB-CB 3.71Å; C338-C350 WeakPolarHBondContact CB-SG 3.38Å; C338-C350 WeakPolarHBondContact SG-CB 3.49Å; C338-C350 CovalentContact SG-SG 2.03Å; C338-C350 PolarHBondContact SG-SG 3.35Å; C338-W351 VanDerWaalsContact SG-C 3.54Å; C338-W351 PolarHBondContact SG-N 3.44Å; C338-W351 VanDerWaalsContact SG-N 3.38Å; C338-N352 PolarHBondContact SG-N 2.95Å |
| 339 | E | 92.6 | Very high | 90.8 | Very high | 159 Ų | 159 | 84.1 Ų | 84.1 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -104.5 | -27.2 | 172.8 | -76.4 | 172.5 | -168.8 | 0 | 0 | 112.5 | N336 E337 | N336-E339 HydrophobicContact CB-CB 4.21Å; N336-E339 HydrophobicContact CB-CG 4.41Å; N336-E339 WeakPolarHBondContact ND2-CG 3.45Å; N336-E339 PolarHBondContact ND2-OE1 2.9Å; N336-E339 PolarHBondContact ND2-OE2 2.78Å; N336-E339 PolarHBondContact O-N 2.9Å; E337-E339 PolarHBondContact O-N 2.04Å |
| 340 | T | 88.9 | Confident | 91.1 | Very high | 99 Ų | 99 | 81.5 Ų | 81.5 | 61% | 0.607 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -102.9 | -22.9 | -174.5 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | I335 N336 E337 | I335-T340 HydrophobicContact CG2-CG2 4.4Å; N336-T340 PolarHBondContact O-N 3Å; N336-T340 VanDerWaalsContact O-N 3.07Å; N336-T340 PolarHBondContact O-OG1 3.31Å; E337-T340 WeakPolarHBondContact CA-OG1 3.02Å |
| 341 | T | 81.9 | Confident | 91.2 | Very high | 40 Ų | 40 | 79.1 Ų | 79.1 | 25% | 0.245 | 40% | 0.397 | C | S | . | . | trans | -117.6 | 158.6 | 175.8 | 83.4 | 0 | 0 | 0 | 0 | 110.2 | E337 | E337-T341 HydrophobicContact CB-CG2 3.94Å; E337-T341 HydrophobicContact CG-CG2 4.25Å; E337-T341 CarbonylContact O-C 3.53Å; E337-T341 WeakPolarHBondContact O-CA 3.4Å; E337-T341 WeakPolarHBondContact O-CB 3.02Å; E337-T341 PolarHBondContact O-N 3.16Å; E337-T341 VanDerWaalsContact O-O 3.14Å; E337-T341 PolarHBondContact O-OG1 3.38Å | ||
| 342 | N | 83.2 | Confident | 91.2 | Very high | 160 Ų | 160 | 77.9 Ų | 77.9 | 86% | 0.856 | 39% | 0.388 | S | S | * | . | trans | -127.5 | 50.9 | 173.1 | -166.2 | 34 | 0 | 0 | 0 | 109.3 | ||||
| 343 | E | 91.1 | Very high | 91.1 | Very high | 138 Ų | 138 | 79.6 Ų | 79.6 | 65% | 0.645 | 39% | 0.393 | S | S | * | . | trans | -85.5 | -19.2 | -172.3 | -72.5 | -177 | -153.8 | 0 | 0 | 114 | F357 | E343-F357 HydrophobicContact CB-CE2 4.03Å; E343-F357 HydrophobicContact CB-CZ 3.74Å; E343-F357 HydrophobicContact CG-CZ 4.37Å; E343-F357 WeakPolarHBondContact OE2-CZ 3.33Å | ||
| 344 | C | 92.9 | Very high | 91 | Very high | 21 Ų | 21 | 76.7 Ų | 76.7 | 14% | 0.142 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -74.7 | 147.9 | 174.7 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | E348 C350 C359 | C344-E348 HydrophobicContact CB-CB 4.18Å; C344-C350 HydrophobicContact CB-CB 4.42Å; C344-C350 VanDerWaalsContact SG-CB 3.55Å; C344-C359 WeakPolarHBondContact CA-SG 3.5Å; C344-C359 HydrophobicContact CB-CB 3.77Å; C344-C359 WeakPolarHBondContact CB-SG 3.35Å; C344-C359 VanDerWaalsContact SG-CA 3.51Å; C344-C359 WeakPolarHBondContact SG-CB 3.49Å; C344-C359 CovalentContact SG-SG 2.04Å; C344-C359 PolarHBondContact SG-SG 3.49Å |
| 345 | R | 93.2 | Very high | 90.8 | Very high | 169 Ų | 169 | 75.9 Ų | 75.9 | 64% | 0.638 | 38% | 0.379 | S | S | * | . | trans | -72.2 | 163.1 | 177.4 | -58.9 | 174 | 179.9 | 174.1 | 2.7 | 111.9 | D347 E348 | R345-D347 WeakPolarHBondContact CB-OD1 3.46Å; R345-D347 PolarHBondContact O-N 2.91Å; R345-E348 HydrophobicContact CB-CB 4.4Å; R345-E348 HydrophobicContact CB-CG 4.07Å; R345-E348 WeakPolarHBondContact CB-OE2 3.09Å; R345-E348 WeakPolarHBondContact CG-OE2 3.45Å; R345-E348 PolarHBondContact N-OE2 3.14Å; R345-E348 WeakPolarHBondContact O-CB 3.45Å; R345-E348 PolarHBondContact O-N 3.16Å | ||
| 346 | E | 90.2 | Very high | 90.7 | Very high | 184 Ų | 184 | 74.2 Ų | 74.2 | 86% | 0.86 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -33 | 178.2 | -64.9 | -171.3 | 165.2 | 0 | 0 | 113 | E348 R362 | E346-E348 VanDerWaalsContact C-N 3.26Å; E346-E348 PolarHBondContact O-N 3.42Å; E346-R362 PolarHBondContact O-NE 2.86Å; E346-R362 PolarHBondContact O-NH2 3.34Å |
| 347 | D | 91.8 | Very high | 90.6 | Very high | 102 Ų | 102 | 74.1 Ų | 74.1 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.8 | 175.9 | 65.2 | -48.1 | 0 | 0 | 0 | 114.1 | R345 R362 | R345-D347 WeakPolarHBondContact CB-OD1 3.46Å; R345-D347 PolarHBondContact O-N 2.91Å; D347-R362 WeakPolarHBondContact O-CB 3.35Å; D347-R362 WeakPolarHBondContact O-CG 3.38Å; D347-R362 PolarHBondContact O-N 2.83Å |
| 348 | E | 94.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 77.8 Ų | 77.8 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 158 | 178.9 | -65.1 | 170.1 | 161.6 | 0 | 0 | 112 | C344 R345 E346 C359 Y360 R362 | C344-E348 HydrophobicContact CB-CB 4.18Å; R345-E348 HydrophobicContact CB-CB 4.4Å; R345-E348 HydrophobicContact CB-CG 4.07Å; R345-E348 WeakPolarHBondContact CB-OE2 3.09Å; R345-E348 WeakPolarHBondContact CG-OE2 3.45Å; R345-E348 PolarHBondContact N-OE2 3.14Å; R345-E348 WeakPolarHBondContact O-CB 3.45Å; R345-E348 PolarHBondContact O-N 3.16Å; E346-E348 VanDerWaalsContact C-N 3.26Å; E346-E348 PolarHBondContact O-N 3.42Å; E348-C359 HydrophobicContact CB-CB 4.03Å; E348-C359 HydrophobicContact CG-CB 4.32Å; E348-C359 WeakPolarHBondContact OE2-CB 3.34Å; E348-Y360 CarbonylContact C-O 3.59Å; E348-Y360 WeakPolarHBondContact CA-O 3.38Å; E348-R362 PolarHBondContact O-NE 3.12Å; E348-R362 PolarHBondContact O-NH2 2.81Å |
| 349 | M | 91.6 | Very high | 90.6 | Very high | 72 Ų | 72 | 77.5 Ų | 77.5 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.4 | 172.6 | 173 | 178 | 65.5 | 0 | 0 | 107.7 | W351 Y360 R362 Y397 | M349-W351 HydrophobicContact CE-CE3 4.34Å; M349-Y360 PolarHBondContact N-O 2.75Å; M349-Y360 PolarHBondContact O-N 3.4Å; M349-R362 HydrophobicContact CB-CG 4.43Å; M349-Y397 HydrophobicContact CE-CD2 4.16Å; M349-Y397 HydrophobicContact CE-CE2 3.91Å |
| 350 | C | 94.1 | Very high | 90.6 | Very high | 39 Ų | 39 | 70.9 Ų | 70.9 | 26% | 0.264 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 139.3 | 173.7 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | C338 C344 | C338-C350 WeakPolarHBondContact CA-SG 2.95Å; C338-C350 HydrophobicContact CB-CB 3.71Å; C338-C350 WeakPolarHBondContact CB-SG 3.38Å; C338-C350 WeakPolarHBondContact SG-CB 3.49Å; C338-C350 CovalentContact SG-SG 2.03Å; C338-C350 PolarHBondContact SG-SG 3.35Å; C344-C350 HydrophobicContact CB-CB 4.42Å; C344-C350 VanDerWaalsContact SG-CB 3.55Å |
| 351 | W | 92.1 | Very high | 90.8 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 30% | 0.295 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 119.8 | 173.4 | -166.4 | -73.6 | 0 | 0 | 0 | 111 | C338 M349 F357 R358 Y360 Y397 | C338-W351 VanDerWaalsContact SG-C 3.54Å; C338-W351 PolarHBondContact SG-N 3.44Å; C338-W351 VanDerWaalsContact SG-N 3.38Å; M349-W351 HydrophobicContact CE-CE3 4.34Å; W351-F357 CarbonylContact O-C 3.5Å; W351-F357 WeakPolarHBondContact O-CA 3.47Å; W351-R358 PolarHBondContact N-O 3.4Å; W351-R358 PolarHBondContact O-N 3.28Å; W351-Y360 HydrophobicContact CB-CD2 3.82Å; W351-Y360 HydrophobicContact CB-CE2 3.85Å; W351-Y360 HydrophobicContact CG-CD2 4.5Å; W351-Y360 HydrophobicContact CG-CE2 4.23Å; W351-Y397 HydrophobicContact CD2-CD2 4.48Å; W351-Y397 HydrophobicContact CD2-CG 4.31Å; W351-Y397 AromaticContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CG 4.16Å; W351-Y397 VanDerWaalsContact CH2-O 3.28Å; W351-Y397 WeakPolarHBondContact CH2-O 3.31Å; W351-Y397 VanDerWaalsContact CZ2-C 3.48Å; W351-Y397 WeakPolarHBondContact CZ2-O 3.27Å; W351-Y397 HydrophobicContact CZ3-CD2 4.04Å; W351-Y397 HydrophobicContact CZ3-CG 4.47Å |
| 352 | N | 91.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 74.5 Ų | 74.5 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 144.8 | -179.5 | -151.7 | 75.1 | 0 | 0 | 0 | 112.4 | D334 I335 N336 E337 C338 | D334-N352 PolarHBondContact OD2-ND2 3.43Å; I335-N352 PolarHBondContact O-ND2 2.85Å; I335-N352 PolarHBondContact O-OD1 2.84Å; N336-N352 VanDerWaalsContact CA-OD1 3.32Å; N336-N352 WeakPolarHBondContact CA-OD1 3.34Å; N336-N352 WeakPolarHBondContact OD1-CB 3.25Å; N336-N352 VanDerWaalsContact OD1-CG 3.3Å; N336-N352 PolarHBondContact OD1-OD1 3.43Å; E337-N352 PolarHBondContact N-OD1 2.7Å; E337-N352 PolarHBondContact OE2-OD1 3.34Å; C338-N352 PolarHBondContact SG-N 2.95Å |
| 353 | Y | 90.4 | Very high | 91.7 | Very high | 45 Ų | 45 | 71.1 Ų | 71.1 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 163.3 | 173.9 | 64.1 | -97.7 | 0 | 0 | 0 | 111.1 | D334 G355 G356 F357 R358 I487 | D334-Y353 VanDerWaalsContact OD1-O 3.09Å; Y353-G355 PolarHBondContact O-N 2.04Å; Y353-G356 CarbonylContact C-O 3.54Å; Y353-G356 WeakPolarHBondContact CD1-O 3.07Å; Y353-G356 WeakPolarHBondContact CD2-O 3.08Å; Y353-G356 WeakPolarHBondContact CE1-O 3.49Å; Y353-G356 PolarHBondContact N-O 3.35Å; Y353-G356 PolarHBondContact O-N 3.36Å; Y353-F357 VanDerWaalsContact CE1-C 3.43Å; Y353-R358 HydrophobicContact CE1-CB 4.11Å; Y353-I487 HydrophobicContact CD1-CB 4.39Å; Y353-I487 HydrophobicContact CD1-CD1 3.73Å; Y353-I487 HydrophobicContact CD1-CG2 3.7Å; Y353-I487 HydrophobicContact CD2-CG2 3.66Å; Y353-I487 HydrophobicContact CE1-CD1 4.44Å; Y353-I487 HydrophobicContact CE1-CG2 3.98Å; Y353-I487 HydrophobicContact CE2-CG2 4Å; Y353-I487 HydrophobicContact CG-CB 4.22Å; Y353-I487 HydrophobicContact CG-CD1 4.24Å; Y353-I487 HydrophobicContact CG-CG2 3.52Å |
| 354 | H | 88.3 | Confident | 91.9 | Very high | 47 Ų | 47 | 66 Ų | 66 | 22% | 0.218 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 107.9 | -179.8 | -73 | -101.5 | 0 | 0 | 0 | 111.7 | Y324 D334 G489 P490 F493 | Y324-H354 VanDerWaalsContact OH-C 3.31Å; D334-H354 VanDerWaalsContact OD1-CA 3.29Å; D334-H354 WeakPolarHBondContact OD1-CA 3.32Å; H354-G489 WeakPolarHBondContact O-CA 3.36Å; H354-P490 WeakPolarHBondContact O-CD 3.29Å; H354-F493 PolarHBondContact ND1-O 3.44Å |
| 355 | G | 87.4 | Confident | 91.9 | Very high | 16 Ų | 16 | 66 Ų | 66 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 22.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y324 D334 Y353 | Y324-G355 PolarHBondContact OH-N 3.06Å; D334-G355 PolarHBondContact OD1-N 3.19Å; Y353-G355 PolarHBondContact O-N 2.04Å |
| 356 | G | 89.8 | Confident | 91.9 | Very high | 8 Ų | 8 | 64 Ų | 64 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.1 | -176.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E337 Y353 | E337-G356 WeakPolarHBondContact OE2-CA 3.49Å; Y353-G356 CarbonylContact C-O 3.54Å; Y353-G356 WeakPolarHBondContact CD1-O 3.07Å; Y353-G356 WeakPolarHBondContact CD2-O 3.08Å; Y353-G356 WeakPolarHBondContact CE1-O 3.49Å; Y353-G356 PolarHBondContact N-O 3.35Å; Y353-G356 PolarHBondContact O-N 3.36Å |
| 357 | F | 91.7 | Very high | 91.9 | Very high | 46 Ų | 46 | 63 Ų | 63 | 20% | 0.202 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 164.4 | 177.2 | 73.6 | -71.9 | 0 | 0 | 0 | 112.1 | E337 E343 W351 Y353 | E337-F357 HydrophobicContact CB-CB 3.98Å; E337-F357 HydrophobicContact CB-CD1 3.3Å; E337-F357 HydrophobicContact CB-CE1 3.98Å; E337-F357 HydrophobicContact CB-CG 3.76Å; E337-F357 HydrophobicContact CG-CD1 3.78Å; E337-F357 HydrophobicContact CG-CE1 4.35Å; E337-F357 PolarHBondContact OE2-N 2.85Å; E343-F357 HydrophobicContact CB-CE2 4.03Å; E343-F357 HydrophobicContact CB-CZ 3.74Å; E343-F357 HydrophobicContact CG-CZ 4.37Å; E343-F357 WeakPolarHBondContact OE2-CZ 3.33Å; W351-F357 CarbonylContact O-C 3.5Å; W351-F357 WeakPolarHBondContact O-CA 3.47Å; Y353-F357 VanDerWaalsContact CE1-C 3.43Å |
| 358 | R | 92.1 | Very high | 92 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 136.7 | 170.2 | 178.4 | 167.9 | -74.9 | -155.6 | 18.3 | 111.4 | W351 Y353 Y360 E460 | W351-R358 PolarHBondContact N-O 3.4Å; W351-R358 PolarHBondContact O-N 3.28Å; Y353-R358 HydrophobicContact CE1-CB 4.11Å; R358-Y360 HydrophobicContact CB-CE2 4.19Å; R358-Y360 VanDerWaalsContact CD-CE1 3.5Å; R358-Y360 VanDerWaalsContact CD-CZ 3.41Å; R358-Y360 WeakPolarHBondContact CD-OH 3.46Å; R358-Y360 HydrophobicContact CG-CD1 4.4Å; R358-Y360 HydrophobicContact CG-CD2 4.37Å; R358-Y360 HydrophobicContact CG-CE1 4.05Å; R358-Y360 HydrophobicContact CG-CE2 4.03Å; R358-E460 WeakPolarHBondContact CD-OE1 3.44Å; R358-E460 IonicContact CZ-OE1 3.15Å; R358-E460 IonicContact CZ-OE2 2.68Å; R358-E460 IonicContact NE-OE1 3.24Å; R358-E460 PolarHBondContact NE-OE1 3.49Å; R358-E460 IonicContact NH1-OE1 3.16Å; R358-E460 PolarHBondContact NH1-OE1 3.33Å; R358-E460 IonicContact NH1-OE2 3.6Å; R358-E460 PolarHBondContact NH1-OE2 2.88Å; R358-E460 IonicContact NH2-OE1 2.79Å; R358-E460 IonicContact NH2-OE2 3.09Å; R358-E460 PolarHBondContact NH2-OE2 2.91Å |
| 359 | C | 94.2 | Very high | 92 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.6 | 169.7 | -48.4 | 0 | 0 | 0 | 0 | 109.7 | C344 E348 | C344-C359 WeakPolarHBondContact CA-SG 3.5Å; C344-C359 HydrophobicContact CB-CB 3.77Å; C344-C359 WeakPolarHBondContact CB-SG 3.35Å; C344-C359 VanDerWaalsContact SG-CA 3.51Å; C344-C359 WeakPolarHBondContact SG-CB 3.49Å; C344-C359 CovalentContact SG-SG 2.04Å; C344-C359 PolarHBondContact SG-SG 3.49Å; E348-C359 HydrophobicContact CB-CB 4.03Å; E348-C359 HydrophobicContact CG-CB 4.32Å; E348-C359 WeakPolarHBondContact OE2-CB 3.34Å |
| 360 | Y | 92.5 | Very high | 92.2 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.8 | 173.4 | -69.3 | -70.5 | 0 | 0 | 0 | 110.2 | E348 M349 W351 R358 R362 Y397 E460 I487 | E348-Y360 CarbonylContact C-O 3.59Å; E348-Y360 WeakPolarHBondContact CA-O 3.38Å; M349-Y360 PolarHBondContact N-O 2.75Å; M349-Y360 PolarHBondContact O-N 3.4Å; W351-Y360 HydrophobicContact CB-CD2 3.82Å; W351-Y360 HydrophobicContact CB-CE2 3.85Å; W351-Y360 HydrophobicContact CG-CD2 4.5Å; W351-Y360 HydrophobicContact CG-CE2 4.23Å; R358-Y360 HydrophobicContact CB-CE2 4.19Å; R358-Y360 VanDerWaalsContact CD-CE1 3.5Å; R358-Y360 VanDerWaalsContact CD-CZ 3.41Å; R358-Y360 WeakPolarHBondContact CD-OH 3.46Å; R358-Y360 HydrophobicContact CG-CD1 4.4Å; R358-Y360 HydrophobicContact CG-CD2 4.37Å; R358-Y360 HydrophobicContact CG-CE1 4.05Å; R358-Y360 HydrophobicContact CG-CE2 4.03Å; Y360-R362 PolarHBondContact O-N 2.91Å; Y360-Y397 HydrophobicContact CD1-CD1 4.03Å; Y360-Y397 AromaticContact CD1-CE1 3.38Å; Y360-Y397 HydrophobicContact CD1-CE1 3.38Å; Y360-Y397 AromaticContact CD1-CZ 3.86Å; Y360-Y397 AromaticContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD2 4.24Å; Y360-Y397 AromaticContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE2 4.27Å; Y360-Y397 AromaticContact CD2-CG 3.96Å; Y360-Y397 HydrophobicContact CD2-CG 3.96Å; Y360-Y397 AromaticContact CE1-CD1 3.73Å; Y360-Y397 HydrophobicContact CE1-CD1 3.73Å; Y360-Y397 AromaticContact CE1-CE1 3.43Å; Y360-Y397 HydrophobicContact CE1-CE1 3.43Å; Y360-Y397 VanDerWaalsContact CE1-CE1 3.43Å; Y360-Y397 AromaticContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD2 4.5Å; Y360-Y397 AromaticContact CE2-CE1 3.73Å; Y360-Y397 HydrophobicContact CE2-CE1 3.73Å; Y360-Y397 AromaticContact CE2-CG 3.78Å; Y360-Y397 HydrophobicContact CE2-CG 3.78Å; Y360-Y397 AromaticContact CG-CD1 3.99Å; Y360-Y397 HydrophobicContact CG-CD1 3.99Å; Y360-Y397 AromaticContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE2 4.25Å; Y360-Y397 AromaticContact CG-CZ 3.66Å; Y360-Y397 AromaticContact CZ-CD1 3.34Å; Y360-Y397 AromaticContact CZ-CE1 3.59Å; Y360-E460 PolarHBondContact OH-OE1 2.78Å; Y360-I487 HydrophobicContact CE2-CD1 4.3Å; Y360-I487 WeakPolarHBondContact OH-CD1 3.48Å |
| 361 | P | 92.9 | Very high | 92.2 | Very high | 66 Ų | 66 | 61 Ų | 61 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 135.1 | 177.1 | -25.5 | 34.5 | 0 | 0 | 0 | 112.1 | N363 | P361-N363 PolarHBondContact O-N 2.92Å |
| 362 | R | 91.4 | Very high | 92.3 | Very high | 149 Ų | 149 | 58.9 Ų | 58.9 | 56% | 0.562 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -60.4 | -29.8 | 174.2 | -71.6 | -177.1 | -163.8 | -76.7 | -5.2 | 112.3 | E346 D347 E348 M349 Y360 P364 | E346-R362 PolarHBondContact O-NE 2.86Å; E346-R362 PolarHBondContact O-NH2 3.34Å; D347-R362 WeakPolarHBondContact O-CB 3.35Å; D347-R362 WeakPolarHBondContact O-CG 3.38Å; D347-R362 PolarHBondContact O-N 2.83Å; E348-R362 PolarHBondContact O-NE 3.12Å; E348-R362 PolarHBondContact O-NH2 2.81Å; M349-R362 HydrophobicContact CB-CG 4.43Å; Y360-R362 PolarHBondContact O-N 2.91Å; R362-P364 WeakPolarHBondContact O-CD 3.24Å |
| 363 | N | 93.4 | Very high | 92.3 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | trans | -108.4 | 96.5 | 167.8 | -177.1 | 10.4 | 0 | 0 | 0 | 110.2 | P361 C365 L371 | P361-N363 PolarHBondContact O-N 2.92Å; N363-C365 VanDerWaalsContact C-N 3.27Å; N363-C365 PolarHBondContact O-N 3Å; N363-C365 VanDerWaalsContact OD1-CB 3.23Å; N363-C365 WeakPolarHBondContact OD1-CB 3.25Å; N363-C365 PolarHBondContact OD1-N 2.88Å; N363-C365 VanDerWaalsContact OD1-N 3.11Å; N363-C365 PolarHBondContact OD1-SG 3.09Å; N363-L371 HydrophobicContact CB-CD2 4.12Å | ||
| 364 | P | 93.5 | Very high | 92.2 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 20% | 0.195 | 35% | 0.348 | C | S | . | . | trans | -83.4 | 0.8 | 177.4 | 35 | -37 | 0 | 0 | 0 | 113.4 | R362 Q366 Y395 | R362-P364 WeakPolarHBondContact O-CD 3.24Å; P364-Q366 PolarHBondContact O-N 3.45Å; P364-Y395 HydrophobicContact CB-CD1 3.83Å; P364-Y395 HydrophobicContact CB-CD2 4Å; P364-Y395 HydrophobicContact CB-CE1 4.1Å; P364-Y395 HydrophobicContact CB-CE2 4.32Å; P364-Y395 HydrophobicContact CB-CG 3.76Å; P364-Y395 HydrophobicContact CG-CD1 4.32Å; P364-Y395 HydrophobicContact CG-CD2 3.7Å; P364-Y395 HydrophobicContact CG-CE2 4.3Å; P364-Y395 HydrophobicContact CG-CG 3.72Å; P364-Y395 VanDerWaalsContact O-CZ 3.32Å; P364-Y395 PolarHBondContact O-OH 2.04Å | ||
| 365 | C | 94.5 | Very high | 92.3 | Very high | 20 Ų | 20 | 70.2 Ų | 70.2 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 127.4 | -176.7 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | N363 C377 | N363-C365 VanDerWaalsContact C-N 3.27Å; N363-C365 PolarHBondContact O-N 3Å; N363-C365 VanDerWaalsContact OD1-CB 3.23Å; N363-C365 WeakPolarHBondContact OD1-CB 3.25Å; N363-C365 PolarHBondContact OD1-N 2.88Å; N363-C365 VanDerWaalsContact OD1-N 3.11Å; N363-C365 PolarHBondContact OD1-SG 3.09Å; C365-C377 WeakPolarHBondContact CA-SG 3.33Å; C365-C377 HydrophobicContact CB-CB 3.8Å; C365-C377 WeakPolarHBondContact CB-SG 3.47Å; C365-C377 WeakPolarHBondContact SG-CA 2.99Å; C365-C377 WeakPolarHBondContact SG-CB 3.45Å; C365-C377 CovalentContact SG-SG 2.03Å; C365-C377 PolarHBondContact SG-SG 3.11Å |
| 366 | Q | 92.1 | Very high | 92.6 | Very high | 129 Ų | 129 | 72.7 Ų | 72.7 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 149.7 | 170.2 | -65.2 | 175.4 | -15.3 | 0 | 0 | 109.4 | P364 Y369 | P364-Q366 PolarHBondContact O-N 3.45Å; Q366-Y369 WeakPolarHBondContact O-CB 3.46Å; Q366-Y369 WeakPolarHBondContact O-CD2 3.46Å; Q366-Y369 PolarHBondContact O-N 2.91Å |
| 367 | D | 91.3 | Very high | 92.9 | Very high | 162 Ų | 162 | 72.3 Ų | 72.3 | 87% | 0.866 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 136.6 | 173.1 | -70.2 | -45.9 | 0 | 0 | 0 | 110.7 | ||
| 368 | P | 93.6 | Very high | 93 | Very high | 21 Ų | 21 | 72.4 Ų | 72.4 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -97 | 20.5 | 9.9 | 39 | -37.4 | 0 | 0 | 0 | 115 | P380 N383 M385 L389 | P368-P380 VanDerWaalsContact O-CD 3.29Å; P368-P380 WeakPolarHBondContact O-CD 2.99Å; P368-N383 WeakPolarHBondContact CB-ND2 3.37Å; P368-M385 HydrophobicContact CG-CB 4.25Å; P368-L389 HydrophobicContact CG-CD1 3.85Å |
| 369 | Y | 94.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 67.9 Ų | 67.9 | 9% | 0.09 | 35% | 0.354 | C | S | . | . | trans | -79.8 | 142.4 | -174.2 | -69.8 | -91.1 | 0 | 0 | 0 | 113.3 | Q366 C377 C379 L389 P390 I393 | Q366-Y369 WeakPolarHBondContact O-CB 3.46Å; Q366-Y369 WeakPolarHBondContact O-CD2 3.46Å; Q366-Y369 PolarHBondContact O-N 2.91Å; Y369-C377 HydrophobicContact CD1-CB 4.07Å; Y369-C377 WeakPolarHBondContact CD1-O 3.38Å; Y369-C377 HydrophobicContact CG-CB 4.14Å; Y369-C379 HydrophobicContact CD1-CB 3.88Å; Y369-C379 HydrophobicContact CE1-CB 3.56Å; Y369-L389 HydrophobicContact CE2-CD1 4.41Å; Y369-P390 VanDerWaalsContact CE1-O 3.24Å; Y369-P390 WeakPolarHBondContact CE1-O 3.29Å; Y369-P390 WeakPolarHBondContact OH-CD 3.04Å; Y369-P390 PolarHBondContact OH-O 3.38Å; Y369-I393 HydrophobicContact CD2-CD1 4.28Å; Y369-I393 HydrophobicContact CE1-CD1 4.06Å; Y369-I393 HydrophobicContact CE1-CG1 3.83Å; Y369-I393 HydrophobicContact CE2-CD1 3.6Å; Y369-I393 HydrophobicContact CE2-CG1 4.31Å; Y369-I393 VanDerWaalsContact CZ-CD1 3.47Å | ||
| 370 | I | 94.5 | Very high | 93 | Very high | 108 Ų | 108 | 67.7 Ų | 67.7 | 55% | 0.554 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.4 | 175.3 | -55.2 | -178.3 | 0 | 0 | 0 | 109.4 | V378 P380 | I370-V378 PolarHBondContact N-O 2.8Å; I370-V378 PolarHBondContact O-N 2.97Å; I370-P380 HydrophobicContact CD1-CG 3.61Å; I370-P380 HydrophobicContact CG1-CG 3.91Å |
| 371 | L | 94.8 | Very high | 92.6 | Very high | 58 Ų | 58 | 73.9 Ų | 73.9 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 125.7 | 175.8 | -172.4 | 66.8 | 0 | 0 | 0 | 110.9 | N363 R376 | N363-L371 HydrophobicContact CB-CD2 4.12Å; L371-R376 CarbonylContact C-O 3.57Å; L371-R376 WeakPolarHBondContact CA-O 3.01Å |
| 372 | T | 93.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 76.1 Ų | 76.1 | 20% | 0.202 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 161.3 | 172.7 | 77.9 | 0 | 0 | 0 | 0 | 111.6 | E374 N375 R376 V378 | T372-E374 WeakPolarHBondContact CB-OE2 3.33Å; T372-E374 PolarHBondContact O-N 3.07Å; T372-E374 PolarHBondContact OG1-OE2 3.46Å; T372-N375 PolarHBondContact O-N 2.79Å; T372-R376 PolarHBondContact N-O 3.07Å; T372-R376 PolarHBondContact OG1-O 3.14Å; T372-V378 HydrophobicContact CG2-CB 3.94Å; T372-V378 HydrophobicContact CG2-CG2 3.54Å |
| 373 | P | 92.2 | Very high | 92.3 | Very high | 122 Ų | 122 | 71.8 Ų | 71.8 | 79% | 0.792 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -23.2 | 177.2 | -26.3 | 36.6 | 0 | 0 | 0 | 114.6 | N375 | P373-N375 PolarHBondContact O-N 3.14Š|
| 374 | E | 88.5 | Confident | 92.1 | Very high | 131 Ų | 131 | 70.8 Ų | 70.8 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 15.2 | 176.8 | -49.8 | 74.3 | -159.5 | 0 | 0 | 113.3 | T372 R376 | T372-E374 WeakPolarHBondContact CB-OE2 3.33Å; T372-E374 PolarHBondContact O-N 3.07Å; T372-E374 PolarHBondContact OG1-OE2 3.46Å; E374-R376 HydrophobicContact CB-CG 4.31Å; E374-R376 PolarHBondContact O-N 3.16Å |
| 375 | N | 89.7 | Confident | 91.9 | Very high | 108 Ų | 108 | 75.9 Ų | 75.9 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 46.2 | -175.4 | -65.9 | -46.9 | 0 | 0 | 0 | 113.1 | T372 P373 | T372-N375 PolarHBondContact O-N 2.79Å; P373-N375 PolarHBondContact O-N 3.14Å |
| 376 | R | 93.2 | Very high | 91.7 | Very high | 68 Ų | 68 | 75.8 Ų | 75.8 | 26% | 0.257 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.3 | 175.2 | -54.5 | -164.5 | 165.8 | -165 | -4.2 | 110.9 | L371 T372 E374 V378 V394 T416 | L371-R376 CarbonylContact C-O 3.57Å; L371-R376 WeakPolarHBondContact CA-O 3.01Å; T372-R376 PolarHBondContact N-O 3.07Å; T372-R376 PolarHBondContact OG1-O 3.14Å; E374-R376 HydrophobicContact CB-CG 4.31Å; E374-R376 PolarHBondContact O-N 3.16Å; R376-V378 HydrophobicContact CB-CG2 4.23Å; R376-V378 PolarHBondContact O-N 3.2Å; R376-V394 HydrophobicContact CB-CG2 4.41Å; R376-V394 HydrophobicContact CG-CG2 3.92Å; R376-T416 PolarHBondContact NH1-OG1 3.25Å; R376-T416 VanDerWaalsContact NH1-OG1 3.14Å; R376-T416 PolarHBondContact NH2-OG1 3.18Å |
| 377 | C | 96 | Very high | 91.3 | Very high | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.007 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 109 | 169.3 | -60 | 0 | 0 | 0 | 0 | 107.7 | C365 Y369 S392 I393 Y395 | C365-C377 WeakPolarHBondContact CA-SG 3.33Å; C365-C377 HydrophobicContact CB-CB 3.8Å; C365-C377 WeakPolarHBondContact CB-SG 3.47Å; C365-C377 WeakPolarHBondContact SG-CA 2.99Å; C365-C377 WeakPolarHBondContact SG-CB 3.45Å; C365-C377 CovalentContact SG-SG 2.03Å; C365-C377 PolarHBondContact SG-SG 3.11Å; Y369-C377 HydrophobicContact CD1-CB 4.07Å; Y369-C377 WeakPolarHBondContact CD1-O 3.38Å; Y369-C377 HydrophobicContact CG-CB 4.14Å; C377-S392 CarbonylContact O-C 3.56Å; C377-S392 WeakPolarHBondContact O-CA 3.04Å; C377-I393 HydrophobicContact CB-CB 4.25Å; C377-I393 WeakPolarHBondContact CB-O 3.21Å; C377-I393 PolarHBondContact N-O 3.44Å; C377-I393 PolarHBondContact O-N 2.03Å; C377-Y395 HydrophobicContact CB-CE2 4.25Å; C377-Y395 WeakPolarHBondContact SG-CE2 3.44Å |
| 378 | V | 94.8 | Very high | 91 | Very high | 48 Ų | 48 | 80.4 Ų | 80.4 | 29% | 0.291 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.3 | -178.9 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | I370 T372 R376 P380 | I370-V378 PolarHBondContact N-O 2.8Å; I370-V378 PolarHBondContact O-N 2.97Å; T372-V378 HydrophobicContact CG2-CB 3.94Å; T372-V378 HydrophobicContact CG2-CG2 3.54Å; R376-V378 HydrophobicContact CB-CG2 4.23Å; R376-V378 PolarHBondContact O-N 3.2Å; V378-P380 WeakPolarHBondContact O-CD 3.47Å |
| 379 | C | 93.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 82.7 Ų | 82.7 | 3% | 0.034 | 44% | 0.442 | C | S | . | . | trans | -84.1 | 118.4 | 178.9 | -143.4 | 0 | 0 | 0 | 0 | 109.2 | Y369 V381 C386 Q391 | Y369-C379 HydrophobicContact CD1-CB 3.88Å; Y369-C379 HydrophobicContact CE1-CB 3.56Å; C379-V381 PolarHBondContact O-N 3.1Å; C379-C386 WeakPolarHBondContact CA-SG 3.37Å; C379-C386 HydrophobicContact CB-CB 3.68Å; C379-C386 WeakPolarHBondContact CB-SG 3.49Å; C379-C386 WeakPolarHBondContact SG-CA 3.01Å; C379-C386 WeakPolarHBondContact SG-CB 3.48Å; C379-C386 CovalentContact SG-SG 2.03Å; C379-C386 PolarHBondContact SG-SG 3.37Å; C379-Q391 PolarHBondContact N-O 2.04Å | ||
| 380 | P | 91.7 | Very high | 90.8 | Very high | 31 Ų | 31 | 82.2 Ų | 82.2 | 20% | 0.201 | 44% | 0.442 | C | S | . | . | trans | -65.2 | 128.7 | -177 | -22.8 | 34.8 | 0 | 0 | 0 | 112.2 | P368 I370 V378 S382 N383 C386 | P368-P380 VanDerWaalsContact O-CD 3.29Å; P368-P380 WeakPolarHBondContact O-CD 2.99Å; I370-P380 HydrophobicContact CD1-CG 3.61Å; I370-P380 HydrophobicContact CG1-CG 3.91Å; V378-P380 WeakPolarHBondContact O-CD 3.47Å; P380-S382 PolarHBondContact O-N 3.31Å; P380-N383 HydrophobicContact CB-CB 4.5Å; P380-N383 WeakPolarHBondContact O-CB 3.36Å; P380-N383 PolarHBondContact O-N 2.96Å; P380-C386 PolarHBondContact O-SG 3.11Å; P380-C386 VanDerWaalsContact O-SG 3.41Å | ||
| 381 | V | 84.9 | Confident | 90.7 | Very high | 149 Ų | 149 | 81.1 Ų | 81.1 | 90% | 0.903 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.7 | 179.2 | -63.5 | 0 | 0 | 0 | 0 | 114.1 | C379 | C379-V381 PolarHBondContact O-N 3.1Š|
| 382 | S | 87.8 | Confident | 90.6 | Very high | 113 Ų | 113 | 78.8 Ų | 78.8 | 79% | 0.79 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -19.7 | 173.5 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | P380 | P380-S382 PolarHBondContact O-N 3.31Š|
| 383 | N | 89.2 | Confident | 90.7 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 31% | 0.305 | 42% | 0.417 | S | S | . | . | trans | -87.5 | 121.5 | -178.7 | -170.5 | -30.8 | 0 | 0 | 0 | 110.5 | P368 P380 M385 C386 | P368-N383 WeakPolarHBondContact CB-ND2 3.37Å; P380-N383 HydrophobicContact CB-CB 4.5Å; P380-N383 WeakPolarHBondContact O-CB 3.36Å; P380-N383 PolarHBondContact O-N 2.96Å; N383-M385 PolarHBondContact O-N 3.35Å; N383-M385 WeakPolarHBondContact OD1-CB 3.39Å; N383-M385 PolarHBondContact OD1-N 3.03Å; N383-C386 WeakPolarHBondContact O-CB 3.41Å; N383-C386 PolarHBondContact O-N 2.85Å | ||
| 384 | A | 89.3 | Confident | 90.8 | Very high | 70 Ų | 70 | 73.2 Ų | 73.2 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -60.9 | -27.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C386 R387 | A384-C386 PolarHBondContact O-N 3.34Å; A384-R387 WeakPolarHBondContact O-CG 3.39Å |
| 385 | M | 89.8 | Confident | 91.1 | Very high | 136 Ų | 136 | 68.5 Ų | 68.5 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -65.4 | -27.7 | 174.9 | -68.9 | -177.2 | 153.8 | 0 | 0 | 112.6 | P368 N383 R387 L389 | P368-M385 HydrophobicContact CG-CB 4.25Å; N383-M385 PolarHBondContact O-N 3.35Å; N383-M385 WeakPolarHBondContact OD1-CB 3.39Å; N383-M385 PolarHBondContact OD1-N 3.03Å; M385-R387 PolarHBondContact O-N 3.49Å; M385-R387 VanDerWaalsContact O-N 3.13Å; M385-L389 WeakPolarHBondContact O-CD1 3Å; M385-L389 WeakPolarHBondContact O-CG 3.4Å |
| 386 | C | 89.7 | Confident | 91.4 | Very high | 18 Ų | 18 | 68 Ų | 68 | 12% | 0.122 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -71.5 | -3.7 | -177.2 | -68.8 | 0 | 0 | 0 | 0 | 114.8 | C379 P380 N383 A384 | C379-C386 WeakPolarHBondContact CA-SG 3.37Å; C379-C386 HydrophobicContact CB-CB 3.68Å; C379-C386 WeakPolarHBondContact CB-SG 3.49Å; C379-C386 WeakPolarHBondContact SG-CA 3.01Å; C379-C386 WeakPolarHBondContact SG-CB 3.48Å; C379-C386 CovalentContact SG-SG 2.03Å; C379-C386 PolarHBondContact SG-SG 3.37Å; P380-C386 PolarHBondContact O-SG 3.11Å; P380-C386 VanDerWaalsContact O-SG 3.41Å; N383-C386 WeakPolarHBondContact O-CB 3.41Å; N383-C386 PolarHBondContact O-N 2.85Å; A384-C386 PolarHBondContact O-N 3.34Å |
| 387 | R | 84.6 | Confident | 91.4 | Very high | 207 Ų | 207 | 65.9 Ų | 65.9 | 78% | 0.781 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -68 | -35.8 | -178.5 | -68 | 179.5 | 179.9 | -176.2 | 1.3 | 113.7 | A384 M385 | A384-R387 WeakPolarHBondContact O-CG 3.39Å; M385-R387 PolarHBondContact O-N 3.49Å; M385-R387 VanDerWaalsContact O-N 3.13Å |
| 388 | E | 84.9 | Confident | 91.2 | Very high | 182 Ų | 182 | 67.3 Ų | 67.3 | 85% | 0.85 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -105.5 | -0.7 | -178.8 | -60.7 | -60.4 | 152.1 | 0 | 0 | 112.7 | ||
| 389 | L | 91.5 | Very high | 91 | Very high | 69 Ų | 69 | 67.1 Ų | 67.1 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -97.4 | 154 | -179 | -65.1 | 177.1 | 0 | 0 | 0 | 111.1 | P368 Y369 M385 Q391 | P368-L389 HydrophobicContact CG-CD1 3.85Å; Y369-L389 HydrophobicContact CE2-CD1 4.41Å; M385-L389 WeakPolarHBondContact O-CD1 3Å; M385-L389 WeakPolarHBondContact O-CG 3.4Å; L389-Q391 PolarHBondContact O-N 3.17Å |
| 390 | P | 92.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | trans | -52.3 | 135.9 | 168.2 | -26.3 | 34 | 0 | 0 | 0 | 111.8 | Y369 S392 I393 S479 V481 | Y369-P390 VanDerWaalsContact CE1-O 3.24Å; Y369-P390 WeakPolarHBondContact CE1-O 3.29Å; Y369-P390 WeakPolarHBondContact OH-CD 3.04Å; Y369-P390 PolarHBondContact OH-O 3.38Å; P390-S392 PolarHBondContact O-N 3.04Å; P390-I393 HydrophobicContact CB-CG1 4.34Å; P390-S479 CarbonylContact C-O 3.54Å; P390-V481 HydrophobicContact CB-CB 4.45Å; P390-V481 HydrophobicContact CB-CG2 3.9Å; P390-V481 HydrophobicContact CG-CB 4.45Å; P390-V481 HydrophobicContact CG-CG2 3.6Å | ||
| 391 | Q | 91.7 | Very high | 90.5 | Very high | 84 Ų | 84 | 70.3 Ų | 70.3 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -58.9 | -36.8 | 177.2 | -179.3 | -175.8 | -4.6 | 0 | 0 | 111.4 | C379 L389 T478 S479 | C379-Q391 PolarHBondContact N-O 2.04Å; L389-Q391 PolarHBondContact O-N 3.17Å; Q391-T478 WeakPolarHBondContact CB-OG1 3.4Å; Q391-T478 PolarHBondContact OE1-OG1 2.97Å; Q391-S479 PolarHBondContact N-O 2.95Å |
| 392 | S | 93.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 149.4 | 172.7 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | C377 P390 S480 V481 | C377-S392 CarbonylContact O-C 3.56Å; C377-S392 WeakPolarHBondContact O-CA 3.04Å; P390-S392 PolarHBondContact O-N 3.04Å; S392-S480 WeakPolarHBondContact O-CA 3.46Å; S392-S480 WeakPolarHBondContact OG-CB 3.05Å; S392-S480 PolarHBondContact OG-OG 2.93Å; S392-V481 PolarHBondContact O-N 2.79Å |
| 393 | I | 95 | Very high | 90 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.5 | 168.1 | -54.3 | -180 | 0 | 0 | 0 | 108 | Y369 C377 P390 Y395 V481 R483 | Y369-I393 HydrophobicContact CD2-CD1 4.28Å; Y369-I393 HydrophobicContact CE1-CD1 4.06Å; Y369-I393 HydrophobicContact CE1-CG1 3.83Å; Y369-I393 HydrophobicContact CE2-CD1 3.6Å; Y369-I393 HydrophobicContact CE2-CG1 4.31Å; Y369-I393 VanDerWaalsContact CZ-CD1 3.47Å; C377-I393 HydrophobicContact CB-CB 4.25Å; C377-I393 WeakPolarHBondContact CB-O 3.21Å; C377-I393 PolarHBondContact N-O 3.44Å; C377-I393 PolarHBondContact O-N 2.03Å; P390-I393 HydrophobicContact CB-CG1 4.34Å; I393-Y395 HydrophobicContact CB-CE2 4.11Å; I393-Y395 HydrophobicContact CG2-CD2 3.99Å; I393-Y395 HydrophobicContact CG2-CE2 3.46Å; I393-Y395 VanDerWaalsContact CG2-CE2 3.46Å; I393-V481 CarbonylContact C-O 3.6Å; I393-V481 VanDerWaalsContact CA-O 3.24Å; I393-V481 WeakPolarHBondContact CA-O 3.49Å; I393-V481 HydrophobicContact CG1-CB 4.42Å; I393-R483 HydrophobicContact CG2-CB 4.36Å |
| 394 | V | 94.8 | Very high | 89.9 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 14% | 0.139 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.4 | 171.1 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | R376 K396 V481 L482 R483 | R376-V394 HydrophobicContact CB-CG2 4.41Å; R376-V394 HydrophobicContact CG-CG2 3.92Å; V394-K396 HydrophobicContact CG1-CG 4.46Å; V394-V481 PolarHBondContact N-O 2.98Å; V394-L482 HydrophobicContact CB-CD1 3.85Å; V394-L482 HydrophobicContact CG1-CD1 3.89Å; V394-L482 CarbonylContact O-C 3.53Å; V394-L482 WeakPolarHBondContact O-CA 3.31Å; V394-R483 PolarHBondContact O-N 3.31Å |
| 395 | Y | 95.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.6 | 177.4 | -67.2 | -108.2 | 0 | 0 | 0 | 108.8 | P364 C377 I393 R483 | P364-Y395 HydrophobicContact CB-CD1 3.83Å; P364-Y395 HydrophobicContact CB-CD2 4Å; P364-Y395 HydrophobicContact CB-CE1 4.1Å; P364-Y395 HydrophobicContact CB-CE2 4.32Å; P364-Y395 HydrophobicContact CB-CG 3.76Å; P364-Y395 HydrophobicContact CG-CD1 4.32Å; P364-Y395 HydrophobicContact CG-CD2 3.7Å; P364-Y395 HydrophobicContact CG-CE2 4.3Å; P364-Y395 HydrophobicContact CG-CG 3.72Å; P364-Y395 VanDerWaalsContact O-CZ 3.32Å; P364-Y395 PolarHBondContact O-OH 2.04Å; C377-Y395 HydrophobicContact CB-CE2 4.25Å; C377-Y395 WeakPolarHBondContact SG-CE2 3.44Å; I393-Y395 HydrophobicContact CB-CE2 4.11Å; I393-Y395 HydrophobicContact CG2-CD2 3.99Å; I393-Y395 HydrophobicContact CG2-CE2 3.46Å; I393-Y395 VanDerWaalsContact CG2-CE2 3.46Å; Y395-R483 HydrophobicContact CD1-CB 4.26Å; Y395-R483 HydrophobicContact CD1-CG 4.3Å; Y395-R483 HydrophobicContact CE1-CB 4.49Å; Y395-R483 HydrophobicContact CE1-CG 4.44Å |
| 396 | K | 94.5 | Very high | 89.9 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.1 | 173.4 | -70.1 | -63.9 | 175.9 | -171.4 | 0 | 110.3 | V394 F411 L482 R483 L484 T485 | V394-K396 HydrophobicContact CG1-CG 4.46Å; K396-F411 HydrophobicContact CB-CZ 4.32Å; K396-F411 HydrophobicContact CG-CZ 4.28Å; K396-L482 HydrophobicContact CB-CD1 4.06Å; K396-L482 HydrophobicContact CG-CD1 3.58Å; K396-R483 PolarHBondContact N-O 2.03Å; K396-L484 HydrophobicContact CB-CD1 3.94Å; K396-L484 WeakPolarHBondContact O-CA 3Å; K396-T485 PolarHBondContact O-N 3.43Å |
| 397 | Y | 93.2 | Very high | 90.1 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 9% | 0.09 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.3 | 179.9 | -47.9 | -81.4 | 0 | 0 | 0 | 107.8 | M349 W351 Y360 T485 | M349-Y397 HydrophobicContact CE-CD2 4.16Å; M349-Y397 HydrophobicContact CE-CE2 3.91Å; W351-Y397 HydrophobicContact CD2-CD2 4.48Å; W351-Y397 HydrophobicContact CD2-CG 4.31Å; W351-Y397 AromaticContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CG 4.16Å; W351-Y397 VanDerWaalsContact CH2-O 3.28Å; W351-Y397 WeakPolarHBondContact CH2-O 3.31Å; W351-Y397 VanDerWaalsContact CZ2-C 3.48Å; W351-Y397 WeakPolarHBondContact CZ2-O 3.27Å; W351-Y397 HydrophobicContact CZ3-CD2 4.04Å; W351-Y397 HydrophobicContact CZ3-CG 4.47Å; Y360-Y397 HydrophobicContact CD1-CD1 4.03Å; Y360-Y397 AromaticContact CD1-CE1 3.38Å; Y360-Y397 HydrophobicContact CD1-CE1 3.38Å; Y360-Y397 AromaticContact CD1-CZ 3.86Å; Y360-Y397 AromaticContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD2 4.24Å; Y360-Y397 AromaticContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE2 4.27Å; Y360-Y397 AromaticContact CD2-CG 3.96Å; Y360-Y397 HydrophobicContact CD2-CG 3.96Å; Y360-Y397 AromaticContact CE1-CD1 3.73Å; Y360-Y397 HydrophobicContact CE1-CD1 3.73Å; Y360-Y397 AromaticContact CE1-CE1 3.43Å; Y360-Y397 HydrophobicContact CE1-CE1 3.43Å; Y360-Y397 VanDerWaalsContact CE1-CE1 3.43Å; Y360-Y397 AromaticContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD2 4.5Å; Y360-Y397 AromaticContact CE2-CE1 3.73Å; Y360-Y397 HydrophobicContact CE2-CE1 3.73Å; Y360-Y397 AromaticContact CE2-CG 3.78Å; Y360-Y397 HydrophobicContact CE2-CG 3.78Å; Y360-Y397 AromaticContact CG-CD1 3.99Å; Y360-Y397 HydrophobicContact CG-CD1 3.99Å; Y360-Y397 AromaticContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE2 4.25Å; Y360-Y397 AromaticContact CG-CZ 3.66Å; Y360-Y397 AromaticContact CZ-CD1 3.34Å; Y360-Y397 AromaticContact CZ-CE1 3.59Å; Y397-T485 CarbonylContact C-O 3.49Å; Y397-T485 WeakPolarHBondContact CA-O 3.45Å; Y397-T485 HydrophobicContact CD1-CG2 4.4Å |
| 398 | M | 92.7 | Very high | 90.5 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 159.1 | 170 | 67.2 | 177.8 | -58.1 | 0 | 0 | 109.8 | I400 I410 F411 L484 T485 I486 I487 | M398-I400 HydrophobicContact CE-CD1 3.75Å; M398-I400 HydrophobicContact CE-CG1 3.75Å; M398-I400 HydrophobicContact SD-CD1 4.38Å; M398-I410 HydrophobicContact CE-CB 4.35Å; M398-I410 WeakPolarHBondContact CE-O 3.31Å; M398-F411 HydrophobicContact SD-CB 4.32Å; M398-F411 HydrophobicContact SD-CD2 3.88Å; M398-L484 HydrophobicContact CG-CD1 4.06Å; M398-L484 HydrophobicContact SD-CD1 4.09Å; M398-L484 HydrophobicContact SD-CD2 3.96Å; M398-L484 HydrophobicContact SD-CG 4.34Å; M398-T485 PolarHBondContact N-O 2.91Å; M398-I486 HydrophobicContact CG-CB 4.29Å; M398-I486 HydrophobicContact CG-CG1 3.91Å; M398-I486 HydrophobicContact CG-CG2 4.26Å; M398-I486 WeakPolarHBondContact O-CA 3.04Å; M398-I486 HydrophobicContact SD-CD1 4.45Å; M398-I486 HydrophobicContact SD-CG1 4.02Å; M398-I487 PolarHBondContact O-N 3.48Å |
| 399 | S | 91.1 | Very high | 91 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.2 | 172.5 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | I487 | S399-I487 CarbonylContact C-O 3.55Å; S399-I487 VanDerWaalsContact CA-O 3.24Å; S399-I487 WeakPolarHBondContact CA-O 3.04Å |
| 400 | I | 89 | Confident | 91.1 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.8 | 176 | -61.2 | -177.3 | 0 | 0 | 0 | 109.2 | M398 R404 I410 I486 I487 V488 | M398-I400 HydrophobicContact CE-CD1 3.75Å; M398-I400 HydrophobicContact CE-CG1 3.75Å; M398-I400 HydrophobicContact SD-CD1 4.38Å; I400-R404 HydrophobicContact CG2-CB 3.9Å; I400-R404 HydrophobicContact CG2-CG 4.4Å; I400-I410 HydrophobicContact CD1-CB 4.09Å; I400-I410 HydrophobicContact CD1-CD1 4.04Å; I400-I410 HydrophobicContact CD1-CG2 3.84Å; I400-I486 HydrophobicContact CB-CG2 4.28Å; I400-I486 HydrophobicContact CD1-CG2 3.63Å; I400-I486 HydrophobicContact CG1-CG2 3.85Å; I400-I487 PolarHBondContact N-O 3.08Å; I400-V488 WeakPolarHBondContact O-CA 3.12Å |
| 401 | R | 85.2 | Confident | 91.2 | Very high | 96 Ų | 96 | 51.2 Ų | 51.2 | 36% | 0.362 | 27% | 0.267 | S | S | . | . | trans | -71.1 | 140 | 171 | -71.6 | 162.4 | 44.8 | 146.2 | -9.6 | 111.5 | D403 R404 S492 F493 | R401-D403 WeakPolarHBondContact CB-OD1 3.28Å; R401-D403 IonicContact CZ-OD1 3.35Å; R401-D403 IonicContact CZ-OD2 3.79Å; R401-D403 IonicContact NE-OD1 2.66Å; R401-D403 PolarHBondContact NE-OD1 2.9Å; R401-D403 IonicContact NE-OD2 3.04Å; R401-D403 IonicContact NH2-OD1 3.68Å; R401-D403 PolarHBondContact NH2-OD1 2.95Å; R401-D403 IonicContact NH2-OD2 3.5Å; R401-D403 PolarHBondContact NH2-OD2 3.02Å; R401-D403 PolarHBondContact O-N 3.06Å; R401-D403 VanDerWaalsContact O-N 3.11Å; R401-R404 WeakPolarHBondContact O-CB 3.42Å; R401-R404 PolarHBondContact O-N 2.77Å; R401-R404 VanDerWaalsContact O-N 3.12Å; R401-S492 PolarHBondContact NE-O 3.14Å; R401-S492 PolarHBondContact NH2-O 3.27Å; R401-F493 WeakPolarHBondContact CD-OXT 3.2Å; R401-F493 PolarHBondContact NH1-OXT 2.68Å | ||
| 402 | S | 81.3 | Confident | 91.4 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.8 | 179 | -69.9 | 0 | 0 | 0 | 0 | 114.1 | L455 G457 V488 G489 | S402-L455 WeakPolarHBondContact CA-O 3.19Å; S402-G457 PolarHBondContact OG-N 2.83Å; S402-G457 VanDerWaalsContact OG-N 3.09Å; S402-V488 VanDerWaalsContact OG-CG1 3.29Å; S402-V488 WeakPolarHBondContact OG-CG1 3.19Å; S402-G489 PolarHBondContact OG-O 3.47Å |
| 403 | D | 81.9 | Confident | 91.4 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 5.6 | -179 | 75.6 | -30.7 | 0 | 0 | 0 | 114.7 | R401 S405 | R401-D403 WeakPolarHBondContact CB-OD1 3.28Å; R401-D403 IonicContact CZ-OD1 3.35Å; R401-D403 IonicContact CZ-OD2 3.79Å; R401-D403 IonicContact NE-OD1 2.66Å; R401-D403 PolarHBondContact NE-OD1 2.9Å; R401-D403 IonicContact NE-OD2 3.04Å; R401-D403 IonicContact NH2-OD1 3.68Å; R401-D403 PolarHBondContact NH2-OD1 2.95Å; R401-D403 IonicContact NH2-OD2 3.5Å; R401-D403 PolarHBondContact NH2-OD2 3.02Å; R401-D403 PolarHBondContact O-N 3.06Å; R401-D403 VanDerWaalsContact O-N 3.11Å; D403-S405 PolarHBondContact O-N 2.64Å |
| 404 | R | 85.4 | Confident | 91.2 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | trans | -55.5 | 127.8 | -178.6 | -175.2 | 179.4 | -177.8 | 96.2 | -8.9 | 110.6 | I400 R401 S408 D409 | I400-R404 HydrophobicContact CG2-CB 3.9Å; I400-R404 HydrophobicContact CG2-CG 4.4Å; R401-R404 WeakPolarHBondContact O-CB 3.42Å; R401-R404 PolarHBondContact O-N 2.77Å; R401-R404 VanDerWaalsContact O-N 3.12Å; R404-S408 WeakPolarHBondContact CD-OG 3.01Å; R404-S408 PolarHBondContact NE-OG 3.27Å; R404-D409 PolarHBondContact NH2-O 3.37Å | ||
| 405 | S | 89.9 | Confident | 90.8 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | trans | -58.8 | 145.6 | 177.6 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | D403 S408 | D403-S405 PolarHBondContact O-N 2.64Å; S405-S408 WeakPolarHBondContact O-CB 3.26Å; S405-S408 PolarHBondContact O-OG 2.78Å | ||
| 406 | V | 90.8 | Very high | 90 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -126.7 | 142.8 | 177.3 | -69 | 0 | 0 | 0 | 0 | 110.8 | L451 | V406-L451 HydrophobicContact CG1-CB 4.36Å; V406-L451 HydrophobicContact CG1-CD2 3.78Å; V406-L451 HydrophobicContact CG1-CG 3.78Å |
| 407 | P | 92.7 | Very high | 89 | Confident | 99 Ų | 99 | 58.6 Ų | 58.6 | 64% | 0.643 | 31% | 0.314 | S | S | * | . | S | Bend | cis | -72.4 | 143.6 | -1.8 | 31.6 | -35.6 | 0 | 0 | 0 | 112.4 | V450 L451 V452 | P407-V450 HydrophobicContact CB-CG1 4.36Å; P407-L451 CarbonylContact C-O 3.58Å; P407-L451 WeakPolarHBondContact CA-O 3.36Å; P407-V452 HydrophobicContact CB-CG1 4.29Å |
| 408 | S | 94 | Very high | 87.8 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.3 | 172.3 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | R404 S405 V450 L451 | R404-S408 WeakPolarHBondContact CD-OG 3.01Å; R404-S408 PolarHBondContact NE-OG 3.27Å; S405-S408 WeakPolarHBondContact O-CB 3.26Å; S405-S408 PolarHBondContact O-OG 2.78Å; S408-V450 CarbonylContact O-C 3.27Å; S408-V450 WeakPolarHBondContact O-CA 3.04Å; S408-V450 WeakPolarHBondContact O-CG1 3.3Å; S408-L451 PolarHBondContact N-O 3.04Å; S408-L451 PolarHBondContact O-N 3.43Å |
| 409 | D | 94.9 | Very high | 86.9 | Confident | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.8 | 170.1 | -69.4 | 1.7 | 0 | 0 | 0 | 108.4 | R404 R440 M448 V450 | R404-D409 PolarHBondContact NH2-O 3.37Å; D409-R440 VanDerWaalsContact CG-NH2 3.34Å; D409-R440 IonicContact OD1-CZ 3.28Å; D409-R440 IonicContact OD1-NH1 2.81Å; D409-R440 PolarHBondContact OD1-NH1 2.94Å; D409-R440 IonicContact OD1-NH2 2.66Å; D409-R440 PolarHBondContact OD1-NH2 3.4Å; D409-R440 IonicContact OD2-CZ 3.69Å; D409-R440 IonicContact OD2-NH1 3.51Å; D409-R440 IonicContact OD2-NH2 2.73Å; D409-R440 PolarHBondContact OD2-NH2 3.2Å; D409-M448 HydrophobicContact CB-CE 4.22Å; D409-M448 HydrophobicContact CB-CG 3.73Å; D409-M448 HydrophobicContact CB-SD 3.88Å; D409-V450 WeakPolarHBondContact OD1-CG2 3.31Å |
| 410 | I | 94.1 | Very high | 86.1 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | -31.2 | -174.1 | 56.4 | 160.8 | 0 | 0 | 0 | 114.7 | M398 I400 F437 L449 L451 I486 | M398-I410 HydrophobicContact CE-CB 4.35Å; M398-I410 WeakPolarHBondContact CE-O 3.31Å; I400-I410 HydrophobicContact CD1-CB 4.09Å; I400-I410 HydrophobicContact CD1-CD1 4.04Å; I400-I410 HydrophobicContact CD1-CG2 3.84Å; I410-F437 HydrophobicContact CD1-CD1 3.82Å; I410-F437 HydrophobicContact CD1-CE1 3.69Å; I410-L449 HydrophobicContact CD1-CD2 3.7Å; I410-L449 HydrophobicContact CD1-CG 3.99Å; I410-L449 HydrophobicContact CG1-CB 4.22Å; I410-L449 HydrophobicContact CG1-CD2 4.12Å; I410-L449 HydrophobicContact CG1-CG 4.03Å; I410-L449 VanDerWaalsContact CG1-O 3.26Å; I410-L449 WeakPolarHBondContact CG1-O 3.5Å; I410-L449 PolarHBondContact N-O 3.33Å; I410-L451 HydrophobicContact CD1-CB 4.24Å; I410-L451 HydrophobicContact CG1-CB 4.42Å; I410-L451 HydrophobicContact CG2-CB 3.85Å; I410-I486 HydrophobicContact CD1-CD1 3.95Å |
| 411 | F | 95.3 | Very high | 85.8 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 22% | 0.219 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 125.1 | -178.9 | -161.7 | -83.3 | 0 | 0 | 0 | 112.3 | K396 M398 I413 M448 L449 L482 L484 | K396-F411 HydrophobicContact CB-CZ 4.32Å; K396-F411 HydrophobicContact CG-CZ 4.28Å; M398-F411 HydrophobicContact SD-CB 4.32Å; M398-F411 HydrophobicContact SD-CD2 3.88Å; F411-I413 HydrophobicContact CD1-CG2 3.83Å; F411-I413 HydrophobicContact CE1-CG2 3.95Å; F411-M448 VanDerWaalsContact C-SD 3.52Å; F411-L449 HydrophobicContact CB-CB 4.16Å; F411-L449 PolarHBondContact N-O 3.2Å; F411-L449 WeakPolarHBondContact O-CB 3.34Å; F411-L449 PolarHBondContact O-N 3.39Å; F411-L482 HydrophobicContact CD1-CD2 4.1Å; F411-L482 HydrophobicContact CE1-CD2 3.47Å; F411-L482 VanDerWaalsContact CE1-CD2 3.47Å; F411-L482 HydrophobicContact CZ-CD2 4.15Å; F411-L484 HydrophobicContact CB-CD2 3.83Å; F411-L484 HydrophobicContact CD1-CD2 4.27Å; F411-L484 HydrophobicContact CD2-CD1 3.74Å; F411-L484 HydrophobicContact CD2-CD2 3.95Å; F411-L484 HydrophobicContact CE2-CD1 3.7Å; F411-L484 HydrophobicContact CG-CD1 4.29Å; F411-L484 HydrophobicContact CG-CD2 3.74Å; F411-L484 HydrophobicContact CZ-CD1 4.24Å |
| 412 | Q | 94.7 | Very high | 85.7 | Confident | 110 Ų | 110 | 71.7 Ų | 71.7 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.5 | 175.5 | -174.4 | 172.5 | -20.9 | 0 | 0 | 111 | M448 | Q412-M448 HydrophobicContact CB-CE 3.89Å; Q412-M448 HydrophobicContact CB-SD 3.98Å; Q412-M448 HydrophobicContact CG-CE 4.34Å |
| 413 | I | 93.4 | Very high | 85.9 | Confident | 16 Ų | 16 | 75.4 Ų | 75.4 | 8% | 0.082 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 142.8 | 170.9 | 63.2 | 177.6 | 0 | 0 | 0 | 110.6 | F411 F426 L439 S446 A447 L465 L482 | F411-I413 HydrophobicContact CD1-CG2 3.83Å; F411-I413 HydrophobicContact CE1-CG2 3.95Å; I413-F426 HydrophobicContact CD1-CB 4.21Å; I413-F426 HydrophobicContact CD1-CD1 3.51Å; I413-F426 HydrophobicContact CD1-CE1 4.2Å; I413-F426 HydrophobicContact CD1-CG 4.14Å; I413-F426 HydrophobicContact CG1-CD1 4.09Å; I413-F426 HydrophobicContact CG1-CE1 4.37Å; I413-L439 HydrophobicContact CD1-CD1 4.16Å; I413-L439 HydrophobicContact CD1-CD2 4.28Å; I413-S446 CarbonylContact O-C 3.47Å; I413-S446 WeakPolarHBondContact O-CA 3.48Å; I413-S446 VanDerWaalsContact O-CB 3.25Å; I413-S446 WeakPolarHBondContact O-CB 3.44Å; I413-A447 HydrophobicContact CD1-CB 4.14Å; I413-A447 HydrophobicContact CG1-CB 3.88Å; I413-A447 WeakPolarHBondContact CG1-O 3.32Å; I413-A447 PolarHBondContact N-O 2.94Å; I413-A447 PolarHBondContact O-N 3.44Å; I413-L465 HydrophobicContact CD1-CB 4.25Å; I413-L465 HydrophobicContact CD1-CD1 4.32Å; I413-L465 HydrophobicContact CG2-CD1 3.71Å; I413-L482 HydrophobicContact CG2-CD2 3.46Å; I413-L482 VanDerWaalsContact CG2-CD2 3.46Å |
| 414 | Q | 91.1 | Very high | 86.3 | Confident | 130 Ų | 130 | 72.2 Ų | 72.2 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.5 | 179.6 | -176.4 | 174.3 | -10 | 0 | 0 | 110.9 | T416 V445 | Q414-T416 PolarHBondContact O-N 2.03Å; Q414-V445 CarbonylContact C-O 3.31Å; Q414-V445 WeakPolarHBondContact CA-O 3.42Å |
| 415 | A | 86.9 | Confident | 86.5 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | trans | -69.1 | 120.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T417 F426 V445 M467 | A415-T417 VanDerWaalsContact C-N 3.33Å; A415-F426 HydrophobicContact CB-CZ 4.45Å; A415-V445 HydrophobicContact CB-CB 4.18Å; A415-V445 PolarHBondContact N-O 2.94Å; A415-M467 HydrophobicContact CB-CE 4.35Å; A415-M467 HydrophobicContact CB-SD 3.5Å; A415-M467 WeakPolarHBondContact CB-SD 3.45Å | ||
| 416 | T | 78.9 | Confident | 86.7 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -80.5 | -15.7 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | R376 Q414 | R376-T416 PolarHBondContact NH1-OG1 3.25Å; R376-T416 VanDerWaalsContact NH1-OG1 3.14Å; R376-T416 PolarHBondContact NH2-OG1 3.18Å; Q414-T416 PolarHBondContact O-N 2.03Å |
| 417 | T | 71.7 | Confident | 86.9 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | trans | -127.1 | 106.4 | -174.2 | -45.1 | 0 | 0 | 0 | 0 | 108.3 | A415 Y419 | A415-T417 VanDerWaalsContact C-N 3.33Å; T417-Y419 HydrophobicContact CG2-CD1 4.41Å; T417-Y419 HydrophobicContact CG2-CD2 4.23Å; T417-Y419 HydrophobicContact CG2-CE1 3.86Å; T417-Y419 HydrophobicContact CG2-CE2 3.66Å; T417-Y419 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 418 | I | 69.5 | Low | 87 | Confident | 122 Ų | 122 | 67 Ų | 67 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | trans | -96.4 | 96.3 | -179.4 | -53.7 | 176.8 | 0 | 0 | 0 | 107.3 | V445 | I418-V445 HydrophobicContact CD1-CG1 4.17Å; I418-V445 HydrophobicContact CG1-CG1 4.11Å | ||
| 419 | Y | 72.9 | Confident | 87.1 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 43% | 0.427 | 37% | 0.366 | S | S | . | . | trans | -78.4 | 126.8 | 171.7 | -61.1 | -76.4 | 0 | 0 | 0 | 109.3 | T417 T422 T469 | T417-Y419 HydrophobicContact CG2-CD1 4.41Å; T417-Y419 HydrophobicContact CG2-CD2 4.23Å; T417-Y419 HydrophobicContact CG2-CE1 3.86Å; T417-Y419 HydrophobicContact CG2-CE2 3.66Å; T417-Y419 VanDerWaalsContact CG2-CZ 3.46Å; Y419-T422 VanDerWaalsContact CB-CG2 3.46Å; Y419-T422 HydrophobicContact CG-CG2 4.4Å; Y419-T422 PolarHBondContact O-N 3.35Å; Y419-T422 PolarHBondContact O-OG1 2.85Å; Y419-T469 HydrophobicContact CD2-CG2 4.32Å | ||
| 420 | A | 74.5 | Confident | 87.1 | Confident | 91 Ų | 91 | 70 Ų | 70 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 143.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T422 | A420-T422 VanDerWaalsContact C-N 3.31Å; A420-T422 PolarHBondContact O-N 3.48Å |
| 421 | N | 82.1 | Confident | 87.1 | Confident | 125 Ų | 125 | 70.1 Ų | 70.1 | 67% | 0.668 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 38.3 | -178.3 | -60.1 | -20.2 | 0 | 0 | 0 | 114.1 | S472 | N421-S472 WeakPolarHBondContact O-CB 3.27Å; N421-S472 PolarHBondContact O-N 2.9Å; N421-S472 PolarHBondContact O-OG 2.83Å |
| 422 | T | 83.8 | Confident | 87.1 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 153.1 | 169.1 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | Y419 A420 T469 V470 F476 | Y419-T422 VanDerWaalsContact CB-CG2 3.46Å; Y419-T422 HydrophobicContact CG-CG2 4.4Å; Y419-T422 PolarHBondContact O-N 3.35Å; Y419-T422 PolarHBondContact O-OG1 2.85Å; A420-T422 VanDerWaalsContact C-N 3.31Å; A420-T422 PolarHBondContact O-N 3.48Å; T422-T469 HydrophobicContact CG2-CG2 4.02Å; T422-V470 CarbonylContact C-O 3.48Å; T422-V470 VanDerWaalsContact CA-O 3.27Å; T422-V470 WeakPolarHBondContact CA-O 3.44Å; T422-V470 WeakPolarHBondContact CB-O 3.35Å; T422-F476 HydrophobicContact CG2-CZ 3.84Å |
| 423 | I | 86 | Confident | 87 | Confident | 106 Ų | 106 | 73 Ų | 73 | 54% | 0.544 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.3 | 174 | -58.5 | 174.6 | 0 | 0 | 0 | 107.3 | T469 V470 | I423-T469 WeakPolarHBondContact O-CA 3.31Å; I423-V470 PolarHBondContact N-O 3.46Å; I423-V470 PolarHBondContact O-N 3.41Å |
| 424 | N | 89 | Confident | 86.9 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 6% | 0.059 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.1 | 172.6 | -57.9 | -57.1 | 0 | 0 | 0 | 109.9 | F426 P444 M467 L468 T469 | N424-F426 HydrophobicContact CB-CE2 4.1Å; N424-F426 HydrophobicContact CB-CZ 4.22Å; N424-P444 PolarHBondContact ND2-O 2.7Å; N424-M467 HydrophobicContact CB-CG 4.28Å; N424-M467 HydrophobicContact CB-SD 4.42Å; N424-L468 CarbonylContact C-O 3.56Å; N424-L468 WeakPolarHBondContact CA-O 3.41Å; N424-T469 WeakPolarHBondContact OD1-CB 3.43Å; N424-T469 WeakPolarHBondContact OD1-CG2 3.17Å; N424-T469 PolarHBondContact OD1-OG1 3.33Å |
| 425 | T | 90.9 | Very high | 87 | Confident | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.7 | 172.2 | -55 | 0 | 0 | 0 | 0 | 108.6 | L468 | T425-L468 PolarHBondContact N-O 2.89Å; T425-L468 PolarHBondContact O-N 2.81Å |
| 426 | F | 93.9 | Very high | 87.3 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 10% | 0.096 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.7 | 178.4 | -58.4 | -85.2 | 0 | 0 | 0 | 110 | I413 A415 N424 L439 A447 E466 M467 | I413-F426 HydrophobicContact CD1-CB 4.21Å; I413-F426 HydrophobicContact CD1-CD1 3.51Å; I413-F426 HydrophobicContact CD1-CE1 4.2Å; I413-F426 HydrophobicContact CD1-CG 4.14Å; I413-F426 HydrophobicContact CG1-CD1 4.09Å; I413-F426 HydrophobicContact CG1-CE1 4.37Å; A415-F426 HydrophobicContact CB-CZ 4.45Å; N424-F426 HydrophobicContact CB-CE2 4.1Å; N424-F426 HydrophobicContact CB-CZ 4.22Å; F426-L439 HydrophobicContact CB-CD2 3.67Å; F426-A447 HydrophobicContact CB-CB 3.96Å; F426-A447 HydrophobicContact CD2-CB 4.12Å; F426-A447 HydrophobicContact CG-CB 3.99Å; F426-E466 CarbonylContact C-O 3.51Å; F426-E466 WeakPolarHBondContact CA-O 3.28Å; F426-M467 HydrophobicContact CD1-CB 3.87Å; F426-M467 HydrophobicContact CD1-CG 3.92Å; F426-M467 HydrophobicContact CE1-CB 3.83Å; F426-M467 HydrophobicContact CE1-CG 3.54Å; F426-M467 HydrophobicContact CE1-SD 3.63Å; F426-M467 HydrophobicContact CZ-CG 4.11Å; F426-M467 HydrophobicContact CZ-SD 3.95Å |
| 427 | R | 94.3 | Very high | 88.1 | Confident | 115 Ų | 115 | 68.4 Ų | 68.4 | 43% | 0.434 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 157.9 | 175.3 | 65.1 | -179.2 | -175.7 | 161.1 | 3.8 | 112.1 | E466 | R427-E466 HydrophobicContact CG-CB 4.19Å; R427-E466 IonicContact CZ-OE2 2.81Å; R427-E466 PolarHBondContact N-O 2.72Å; R427-E466 IonicContact NE-OE2 2.9Å; R427-E466 PolarHBondContact NE-OE2 2.8Å; R427-E466 IonicContact NH2-OE2 3.87Å; R427-E466 PolarHBondContact NH2-OE2 2.85Å; R427-E466 PolarHBondContact O-N 2.92Å |
| 428 | I | 96.3 | Very high | 89.2 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 21% | 0.205 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.8 | 164.8 | -52.7 | 175.3 | 0 | 0 | 0 | 107.3 | S430 N432 F437 L439 L449 V463 L465 | I428-S430 WeakPolarHBondContact CG2-O 3.33Å; I428-N432 HydrophobicContact CD1-CB 4.31Å; I428-N432 WeakPolarHBondContact CD1-ND2 3.34Å; I428-N432 HydrophobicContact CG2-CB 3.8Å; I428-F437 HydrophobicContact CD1-CB 4.04Å; I428-L439 HydrophobicContact CD1-CB 4.4Å; I428-L439 HydrophobicContact CG1-CB 4.08Å; I428-L449 HydrophobicContact CD1-CD1 4.03Å; I428-L449 HydrophobicContact CG1-CD1 4.45Å; I428-V463 HydrophobicContact CG2-CG1 3.82Å; I428-L465 HydrophobicContact CB-CD2 4.38Å; I428-L465 HydrophobicContact CG1-CD2 3.81Å; I428-L465 HydrophobicContact CG2-CD2 4.37Å |
| 429 | K | 94.8 | Very high | 90.4 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -37.5 | -177.2 | -179.7 | 176.8 | -173.6 | 156.4 | 0 | 112.4 | D464 E466 V481 | K429-D464 HydrophobicContact CB-CB 4.03Å; K429-D464 WeakPolarHBondContact CB-O 3.34Å; K429-D464 PolarHBondContact N-O 3.39Å; K429-E466 HydrophobicContact CB-CB 4.01Å; K429-E466 HydrophobicContact CD-CB 4.23Å; K429-E466 HydrophobicContact CD-CG 4.49Å; K429-E466 IonicContact NZ-OE1 2.84Å; K429-E466 PolarHBondContact NZ-OE1 3.39Å; K429-V481 HydrophobicContact CD-CG2 3.95Å |
| 430 | S | 96.1 | Very high | 91.4 | Very high | 50 Ų | 50 | 65 Ų | 65 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 170.5 | 179.2 | 66.3 | 0 | 0 | 0 | 0 | 110.1 | I428 D464 | I428-S430 WeakPolarHBondContact CG2-O 3.33Å; S430-D464 PolarHBondContact O-N 2.98Å; S430-D464 VanDerWaalsContact OG-CB 3.26Å; S430-D464 WeakPolarHBondContact OG-CB 3.4Å; S430-D464 VanDerWaalsContact OG-CG 3.28Å; S430-D464 PolarHBondContact OG-OD2 3.12Å |
| 431 | G | 93.5 | Very high | 92.3 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 24% | 0.237 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 83.9 | 14.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I462 | G431-I462 VanDerWaalsContact CA-O 3.26Å; G431-I462 WeakPolarHBondContact CA-O 3.48Å |
| 432 | N | 94.7 | Very high | 92.8 | Very high | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.219 | 32% | 0.32 | C | S | . | . | trans | -131.7 | 40.9 | -180 | -173.3 | 38.9 | 0 | 0 | 0 | 111.4 | I428 N434 G435 E436 F437 | I428-N432 HydrophobicContact CD1-CB 4.31Å; I428-N432 WeakPolarHBondContact CD1-ND2 3.34Å; I428-N432 HydrophobicContact CG2-CB 3.8Å; N432-N434 VanDerWaalsContact C-N 3.32Å; N432-N434 PolarHBondContact O-N 3.44Å; N432-G435 PolarHBondContact O-N 3.31Å; N432-G435 WeakPolarHBondContact OD1-CA 3.39Å; N432-E436 PolarHBondContact OD1-N 2.86Å; N432-E436 VanDerWaalsContact OD1-N 3.08Å; N432-F437 HydrophobicContact CB-CD2 4.25Å; N432-F437 PolarHBondContact ND2-O 2.94Å; N432-F437 WeakPolarHBondContact OD1-CD2 3.28Å; N432-F437 PolarHBondContact OD1-N 3.36Å; N432-F437 PolarHBondContact OD1-O 3.35Å | ||
| 433 | E | 92.2 | Very high | 93.1 | Very high | 180 Ų | 180 | 63.4 Ų | 63.4 | 84% | 0.841 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -31 | -172 | -67.5 | 169.8 | -169.9 | 0 | 0 | 112.5 | ||
| 434 | N | 91.2 | Very high | 93.2 | Very high | 97 Ų | 97 | 63.3 Ų | 63.3 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 3.7 | 177.5 | -39 | -72.2 | 0 | 0 | 0 | 112.4 | N432 E436 K453 | N432-N434 VanDerWaalsContact C-N 3.32Å; N432-N434 PolarHBondContact O-N 3.44Å; N434-E436 WeakPolarHBondContact CA-OE2 3.38Å; N434-E436 HydrophobicContact CB-CG 4.37Å; N434-E436 WeakPolarHBondContact CB-OE2 3.41Å; N434-E436 PolarHBondContact N-OE2 3.02Å; N434-E436 PolarHBondContact ND2-OE1 2.76Å; N434-K453 PolarHBondContact O-NZ 2.92Å |
| 435 | G | 93.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | trans | 64.9 | 40.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N432 F437 K453 | N432-G435 PolarHBondContact O-N 3.31Å; N432-G435 WeakPolarHBondContact OD1-CA 3.39Å; G435-F437 VanDerWaalsContact C-N 3.28Å; G435-K453 WeakPolarHBondContact O-CE 3.42Å | ||
| 436 | E | 93.7 | Very high | 93.4 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | trans | -71.6 | -23.7 | 173.2 | -55 | 96.5 | 140.1 | 0 | 0 | 112.7 | N432 N434 V452 K453 L455 | N432-E436 PolarHBondContact OD1-N 2.86Å; N432-E436 VanDerWaalsContact OD1-N 3.08Å; N434-E436 WeakPolarHBondContact CA-OE2 3.38Å; N434-E436 HydrophobicContact CB-CG 4.37Å; N434-E436 WeakPolarHBondContact CB-OE2 3.41Å; N434-E436 PolarHBondContact N-OE2 3.02Å; N434-E436 PolarHBondContact ND2-OE1 2.76Å; E436-V452 VanDerWaalsContact O-CG2 3.24Å; E436-V452 WeakPolarHBondContact O-CG2 3.42Å; E436-V452 PolarHBondContact O-N 3.16Å; E436-K453 HydrophobicContact CB-CB 4.42Å; E436-K453 HydrophobicContact CG-CB 4.49Å; E436-K453 PolarHBondContact O-N 3.09Å; E436-L455 HydrophobicContact CB-CD2 3.82Å; E436-L455 HydrophobicContact CG-CD2 3.91Å | ||
| 437 | F | 95.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.4 | -174.4 | -47.6 | -80.8 | 0 | 0 | 0 | 112.5 | I410 I428 N432 G435 L449 V450 L451 L455 H461 V463 I486 | I410-F437 HydrophobicContact CD1-CD1 3.82Å; I410-F437 HydrophobicContact CD1-CE1 3.69Å; I428-F437 HydrophobicContact CD1-CB 4.04Å; N432-F437 HydrophobicContact CB-CD2 4.25Å; N432-F437 PolarHBondContact ND2-O 2.94Å; N432-F437 WeakPolarHBondContact OD1-CD2 3.28Å; N432-F437 PolarHBondContact OD1-N 3.36Å; N432-F437 PolarHBondContact OD1-O 3.35Å; G435-F437 VanDerWaalsContact C-N 3.28Å; F437-L449 HydrophobicContact CB-CD1 3.84Å; F437-L449 HydrophobicContact CD1-CD1 4.46Å; F437-L449 HydrophobicContact CD1-CD2 4.24Å; F437-L449 HydrophobicContact CD1-CG 4.3Å; F437-L449 HydrophobicContact CG-CD1 4.35Å; F437-V450 CarbonylContact C-O 3.56Å; F437-V450 WeakPolarHBondContact CA-O 3.36Å; F437-L451 HydrophobicContact CD1-CD1 3.76Å; F437-L451 HydrophobicContact CE1-CD1 3.46Å; F437-L451 VanDerWaalsContact CE1-CD1 3.46Å; F437-L451 HydrophobicContact CZ-CD1 4.26Å; F437-L455 HydrophobicContact CE1-CD1 4.25Å; F437-L455 HydrophobicContact CZ-CD1 3.97Å; F437-L455 HydrophobicContact CZ-CD2 4.05Å; F437-H461 HydrophobicContact CZ-CB 4.49Å; F437-V463 HydrophobicContact CD2-CG2 4.02Å; F437-V463 HydrophobicContact CE2-CG2 3.61Å; F437-V463 HydrophobicContact CZ-CG2 4Å; F437-I486 HydrophobicContact CE1-CD1 3.64Å; F437-I486 HydrophobicContact CZ-CD1 3.73Å |
| 438 | Y | 95.3 | Very high | 93.5 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 37% | 0.365 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 164.8 | 156 | 78.2 | -82 | 0 | 0 | 0 | 110.7 | R440 V450 V452 | Y438-R440 HydrophobicContact CD2-CB 4.46Å; Y438-R440 HydrophobicContact CE2-CB 3.8Å; Y438-R440 HydrophobicContact CE2-CG 4.33Å; Y438-V450 HydrophobicContact CD1-CB 3.86Å; Y438-V450 HydrophobicContact CD1-CG1 4.26Å; Y438-V450 HydrophobicContact CE1-CB 3.43Å; Y438-V450 VanDerWaalsContact CE1-CB 3.43Å; Y438-V450 HydrophobicContact CE1-CG1 3.45Å; Y438-V450 VanDerWaalsContact CE1-CG1 3.45Å; Y438-V450 HydrophobicContact CE1-CG2 4.09Å; Y438-V450 HydrophobicContact CE2-CB 4.35Å; Y438-V450 HydrophobicContact CE2-CG2 4.18Å; Y438-V450 HydrophobicContact CG-CB 4.49Å; Y438-V450 PolarHBondContact N-O 2.77Å; Y438-V450 PolarHBondContact O-N 2.04Å; Y438-V452 HydrophobicContact CD1-CG1 3.44Å; Y438-V452 VanDerWaalsContact CD1-CG1 3.44Å; Y438-V452 HydrophobicContact CE1-CG1 3.46Å; Y438-V452 VanDerWaalsContact CE1-CG1 3.46Å |
| 439 | L | 95.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 18% | 0.183 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.4 | -178.5 | -162.8 | 68.4 | 0 | 0 | 0 | 109.8 | I413 F426 I428 A447 L449 L465 | I413-L439 HydrophobicContact CD1-CD1 4.16Å; I413-L439 HydrophobicContact CD1-CD2 4.28Å; F426-L439 HydrophobicContact CB-CD2 3.67Å; I428-L439 HydrophobicContact CD1-CB 4.4Å; I428-L439 HydrophobicContact CG1-CB 4.08Å; L439-A447 HydrophobicContact CD1-CB 4.08Å; L439-A447 HydrophobicContact CD2-CB 4.36Å; L439-A447 HydrophobicContact CG-CB 3.93Å; L439-L449 HydrophobicContact CD1-CB 4.24Å; L439-L449 HydrophobicContact CD1-CD1 4.23Å; L439-L465 HydrophobicContact CD1-CD1 4.44Å; L439-L465 HydrophobicContact CD1-CD2 4.43Å |
| 440 | R | 94.3 | Very high | 93.6 | Very high | 95 Ų | 95 | 50 Ų | 50 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.1 | 178.9 | -166.5 | 172.1 | 72.2 | -129.5 | -2 | 109.1 | D409 Y438 T442 A447 M448 V450 | D409-R440 VanDerWaalsContact CG-NH2 3.34Å; D409-R440 IonicContact OD1-CZ 3.28Å; D409-R440 IonicContact OD1-NH1 2.81Å; D409-R440 PolarHBondContact OD1-NH1 2.94Å; D409-R440 IonicContact OD1-NH2 2.66Å; D409-R440 PolarHBondContact OD1-NH2 3.4Å; D409-R440 IonicContact OD2-CZ 3.69Å; D409-R440 IonicContact OD2-NH1 3.51Å; D409-R440 IonicContact OD2-NH2 2.73Å; D409-R440 PolarHBondContact OD2-NH2 3.2Å; Y438-R440 HydrophobicContact CD2-CB 4.46Å; Y438-R440 HydrophobicContact CE2-CB 3.8Å; Y438-R440 HydrophobicContact CE2-CG 4.33Å; R440-T442 PolarHBondContact O-N 3.25Å; R440-A447 CarbonylContact O-C 3.59Å; R440-A447 VanDerWaalsContact O-CA 3.32Å; R440-A447 WeakPolarHBondContact O-CA 3.08Å; R440-M448 PolarHBondContact N-O 2.88Å; R440-M448 PolarHBondContact O-N 3.4Å; R440-V450 HydrophobicContact CB-CG2 4.13Å |
| 441 | Q | 91.4 | Very high | 93.6 | Very high | 107 Ų | 107 | 47.7 Ų | 47.7 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 124.7 | 174.7 | -172.6 | 162.7 | 6.7 | 0 | 0 | 109.9 | S443 | Q441-S443 VanDerWaalsContact CG-O 3.24Å; Q441-S443 WeakPolarHBondContact CG-O 3.36Å; Q441-S443 PolarHBondContact NE2-O 2.9Å |
| 442 | T | 93.1 | Very high | 93.6 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -23.2 | -176.8 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | R440 S446 M448 | R440-T442 PolarHBondContact O-N 3.25Å; T442-S446 PolarHBondContact N-O 3.46Å; T442-S446 VanDerWaalsContact OG1-C 3.3Å; T442-S446 WeakPolarHBondContact OG1-CB 3.08Å; T442-S446 PolarHBondContact OG1-O 3.1Å; T442-S446 PolarHBondContact OG1-OG 3.46Å; T442-M448 HydrophobicContact CG2-CB 3.94Å |
| 443 | S | 91.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 175.5 | 171.2 | 80.1 | 0 | 0 | 0 | 0 | 110.9 | Q441 V445 S446 | Q441-S443 VanDerWaalsContact CG-O 3.24Å; Q441-S443 WeakPolarHBondContact CG-O 3.36Å; Q441-S443 PolarHBondContact NE2-O 2.9Å; S443-V445 PolarHBondContact O-N 2.97Å; S443-V445 WeakPolarHBondContact OG-CG2 3.23Å; S443-V445 PolarHBondContact OG-N 3.21Å; S443-V445 VanDerWaalsContact OG-N 3.09Å; S443-S446 WeakPolarHBondContact CB-OG 3.28Å; S443-S446 PolarHBondContact N-O 3.25Å; S443-S446 PolarHBondContact N-OG 3.42Å; S443-S446 PolarHBondContact O-N 3.47Å; S443-S446 VanDerWaalsContact O-O 3.04Å; S443-S446 PolarHBondContact OG-N 2.69Å; S443-S446 PolarHBondContact OG-OG 3.2Å |
| 444 | P | 88.2 | Confident | 93.3 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 67% | 0.669 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -12 | 170.2 | -24.4 | 35.8 | 0 | 0 | 0 | 114.8 | N424 | N424-P444 PolarHBondContact ND2-O 2.7Š|
| 445 | V | 89.9 | Confident | 93.2 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 6.6 | -178.3 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | Q414 A415 I418 S443 | Q414-V445 CarbonylContact C-O 3.31Å; Q414-V445 WeakPolarHBondContact CA-O 3.42Å; A415-V445 HydrophobicContact CB-CB 4.18Å; A415-V445 PolarHBondContact N-O 2.94Å; I418-V445 HydrophobicContact CD1-CG1 4.17Å; I418-V445 HydrophobicContact CG1-CG1 4.11Å; S443-V445 PolarHBondContact O-N 2.97Å; S443-V445 WeakPolarHBondContact OG-CG2 3.23Å; S443-V445 PolarHBondContact OG-N 3.21Å; S443-V445 VanDerWaalsContact OG-N 3.09Å |
| 446 | S | 93.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153.5 | -179 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | I413 T442 S443 | I413-S446 CarbonylContact O-C 3.47Å; I413-S446 WeakPolarHBondContact O-CA 3.48Å; I413-S446 VanDerWaalsContact O-CB 3.25Å; I413-S446 WeakPolarHBondContact O-CB 3.44Å; T442-S446 PolarHBondContact N-O 3.46Å; T442-S446 VanDerWaalsContact OG1-C 3.3Å; T442-S446 WeakPolarHBondContact OG1-CB 3.08Å; T442-S446 PolarHBondContact OG1-O 3.1Å; T442-S446 PolarHBondContact OG1-OG 3.46Å; S443-S446 WeakPolarHBondContact CB-OG 3.28Å; S443-S446 PolarHBondContact N-O 3.25Å; S443-S446 PolarHBondContact N-OG 3.42Å; S443-S446 PolarHBondContact O-N 3.47Å; S443-S446 VanDerWaalsContact O-O 3.04Å; S443-S446 PolarHBondContact OG-N 2.69Å; S443-S446 PolarHBondContact OG-OG 3.2Å |
| 447 | A | 95 | Very high | 92 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 160.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I413 F426 L439 R440 | I413-A447 HydrophobicContact CD1-CB 4.14Å; I413-A447 HydrophobicContact CG1-CB 3.88Å; I413-A447 WeakPolarHBondContact CG1-O 3.32Å; I413-A447 PolarHBondContact N-O 2.94Å; I413-A447 PolarHBondContact O-N 3.44Å; F426-A447 HydrophobicContact CB-CB 3.96Å; F426-A447 HydrophobicContact CD2-CB 4.12Å; F426-A447 HydrophobicContact CG-CB 3.99Å; L439-A447 HydrophobicContact CD1-CB 4.08Å; L439-A447 HydrophobicContact CD2-CB 4.36Å; L439-A447 HydrophobicContact CG-CB 3.93Å; R440-A447 CarbonylContact O-C 3.59Å; R440-A447 VanDerWaalsContact O-CA 3.32Å; R440-A447 WeakPolarHBondContact O-CA 3.08Å |
| 448 | M | 96.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126 | 176.4 | -174 | 65.3 | 77.9 | 0 | 0 | 109.3 | D409 F411 Q412 R440 T442 V450 | D409-M448 HydrophobicContact CB-CE 4.22Å; D409-M448 HydrophobicContact CB-CG 3.73Å; D409-M448 HydrophobicContact CB-SD 3.88Å; F411-M448 VanDerWaalsContact C-SD 3.52Å; Q412-M448 HydrophobicContact CB-CE 3.89Å; Q412-M448 HydrophobicContact CB-SD 3.98Å; Q412-M448 HydrophobicContact CG-CE 4.34Å; R440-M448 PolarHBondContact N-O 2.88Å; R440-M448 PolarHBondContact O-N 3.4Å; T442-M448 HydrophobicContact CG2-CB 3.94Å; M448-V450 HydrophobicContact CB-CG2 4.44Å; M448-V450 HydrophobicContact CG-CG2 4.07Å |
| 449 | L | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.2 | 165.3 | -172.2 | 68 | 0 | 0 | 0 | 108.1 | I410 F411 I428 F437 L439 L465 L484 I486 | I410-L449 HydrophobicContact CD1-CD2 3.7Å; I410-L449 HydrophobicContact CD1-CG 3.99Å; I410-L449 HydrophobicContact CG1-CB 4.22Å; I410-L449 HydrophobicContact CG1-CD2 4.12Å; I410-L449 HydrophobicContact CG1-CG 4.03Å; I410-L449 VanDerWaalsContact CG1-O 3.26Å; I410-L449 WeakPolarHBondContact CG1-O 3.5Å; I410-L449 PolarHBondContact N-O 3.33Å; F411-L449 HydrophobicContact CB-CB 4.16Å; F411-L449 PolarHBondContact N-O 3.2Å; F411-L449 WeakPolarHBondContact O-CB 3.34Å; F411-L449 PolarHBondContact O-N 3.39Å; I428-L449 HydrophobicContact CD1-CD1 4.03Å; I428-L449 HydrophobicContact CG1-CD1 4.45Å; F437-L449 HydrophobicContact CB-CD1 3.84Å; F437-L449 HydrophobicContact CD1-CD1 4.46Å; F437-L449 HydrophobicContact CD1-CD2 4.24Å; F437-L449 HydrophobicContact CD1-CG 4.3Å; F437-L449 HydrophobicContact CG-CD1 4.35Å; L439-L449 HydrophobicContact CD1-CB 4.24Å; L439-L449 HydrophobicContact CD1-CD1 4.23Å; L449-L465 HydrophobicContact CB-CD1 4.32Å; L449-L465 HydrophobicContact CD1-CD1 4.47Å; L449-L465 HydrophobicContact CD1-CD2 3.91Å; L449-L465 HydrophobicContact CD2-CD1 4.27Å; L449-L484 HydrophobicContact CD2-CD2 3.76Å; L449-I486 HydrophobicContact CD2-CD1 4.42Å |
| 450 | V | 95.9 | Very high | 91 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.9 | -176.4 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | P407 S408 D409 F437 Y438 R440 M448 | P407-V450 HydrophobicContact CB-CG1 4.36Å; S408-V450 CarbonylContact O-C 3.27Å; S408-V450 WeakPolarHBondContact O-CA 3.04Å; S408-V450 WeakPolarHBondContact O-CG1 3.3Å; D409-V450 WeakPolarHBondContact OD1-CG2 3.31Å; F437-V450 CarbonylContact C-O 3.56Å; F437-V450 WeakPolarHBondContact CA-O 3.36Å; Y438-V450 HydrophobicContact CD1-CB 3.86Å; Y438-V450 HydrophobicContact CD1-CG1 4.26Å; Y438-V450 HydrophobicContact CE1-CB 3.43Å; Y438-V450 VanDerWaalsContact CE1-CB 3.43Å; Y438-V450 HydrophobicContact CE1-CG1 3.45Å; Y438-V450 VanDerWaalsContact CE1-CG1 3.45Å; Y438-V450 HydrophobicContact CE1-CG2 4.09Å; Y438-V450 HydrophobicContact CE2-CB 4.35Å; Y438-V450 HydrophobicContact CE2-CG2 4.18Å; Y438-V450 HydrophobicContact CG-CB 4.49Å; Y438-V450 PolarHBondContact N-O 2.77Å; Y438-V450 PolarHBondContact O-N 2.04Å; R440-V450 HydrophobicContact CB-CG2 4.13Å; M448-V450 HydrophobicContact CB-CG2 4.44Å; M448-V450 HydrophobicContact CG-CG2 4.07Å |
| 451 | L | 95.2 | Very high | 91 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.3 | 173.5 | -172 | 72.1 | 0 | 0 | 0 | 109.3 | V406 P407 S408 I410 F437 K453 L455 | V406-L451 HydrophobicContact CG1-CB 4.36Å; V406-L451 HydrophobicContact CG1-CD2 3.78Å; V406-L451 HydrophobicContact CG1-CG 3.78Å; P407-L451 CarbonylContact C-O 3.58Å; P407-L451 WeakPolarHBondContact CA-O 3.36Å; S408-L451 PolarHBondContact N-O 3.04Å; S408-L451 PolarHBondContact O-N 3.43Å; I410-L451 HydrophobicContact CD1-CB 4.24Å; I410-L451 HydrophobicContact CG1-CB 4.42Å; I410-L451 HydrophobicContact CG2-CB 3.85Å; F437-L451 HydrophobicContact CD1-CD1 3.76Å; F437-L451 HydrophobicContact CE1-CD1 3.46Å; F437-L451 VanDerWaalsContact CE1-CD1 3.46Å; F437-L451 HydrophobicContact CZ-CD1 4.26Å; L451-K453 VanDerWaalsContact CD1-O 3.22Å; L451-K453 WeakPolarHBondContact CD1-O 3.19Å; L451-K453 VanDerWaalsContact CG-O 3.24Å; L451-K453 WeakPolarHBondContact CG-O 3.3Å; L451-L455 HydrophobicContact CD1-CD1 4.05Å; L451-L455 HydrophobicContact CD1-CD2 3.91Å; L451-L455 HydrophobicContact CD1-CG 3.8Å |
| 452 | V | 94.6 | Very high | 91.1 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | trans | -120.4 | -11.5 | 179.4 | -73.4 | 0 | 0 | 0 | 0 | 114.1 | P407 E436 Y438 | P407-V452 HydrophobicContact CB-CG1 4.29Å; E436-V452 VanDerWaalsContact O-CG2 3.24Å; E436-V452 WeakPolarHBondContact O-CG2 3.42Å; E436-V452 PolarHBondContact O-N 3.16Å; Y438-V452 HydrophobicContact CD1-CG1 3.44Å; Y438-V452 VanDerWaalsContact CD1-CG1 3.44Å; Y438-V452 HydrophobicContact CE1-CG1 3.46Å; Y438-V452 VanDerWaalsContact CE1-CG1 3.46Å | ||
| 453 | K | 91.9 | Very high | 91.3 | Very high | 106 Ų | 106 | 46.4 Ų | 46.4 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -128.3 | 143.5 | 170.8 | -58.5 | -179.2 | -177.5 | 179.8 | 0 | 108.7 | N434 G435 E436 L451 | N434-K453 PolarHBondContact O-NZ 2.92Å; G435-K453 WeakPolarHBondContact O-CE 3.42Å; E436-K453 HydrophobicContact CB-CB 4.42Å; E436-K453 HydrophobicContact CG-CB 4.49Å; E436-K453 PolarHBondContact O-N 3.09Å; L451-K453 VanDerWaalsContact CD1-O 3.22Å; L451-K453 WeakPolarHBondContact CD1-O 3.19Å; L451-K453 VanDerWaalsContact CG-O 3.24Å; L451-K453 WeakPolarHBondContact CG-O 3.3Å |
| 454 | S | 88.2 | Confident | 91.6 | Very high | 81 Ų | 81 | 45.2 Ų | 45.2 | 57% | 0.566 | 26% | 0.257 | S | S | * | . | trans | -61 | 144.8 | 170.6 | 44.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 455 | L | 88.4 | Confident | 92 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | trans | -98.9 | 130.8 | 174.1 | -53.2 | 178.1 | 0 | 0 | 0 | 108 | S402 E436 F437 L451 I486 V488 | S402-L455 WeakPolarHBondContact CA-O 3.19Å; E436-L455 HydrophobicContact CB-CD2 3.82Å; E436-L455 HydrophobicContact CG-CD2 3.91Å; F437-L455 HydrophobicContact CE1-CD1 4.25Å; F437-L455 HydrophobicContact CZ-CD1 3.97Å; F437-L455 HydrophobicContact CZ-CD2 4.05Å; L451-L455 HydrophobicContact CD1-CD1 4.05Å; L451-L455 HydrophobicContact CD1-CD2 3.91Å; L451-L455 HydrophobicContact CD1-CG 3.8Å; L455-I486 HydrophobicContact CD1-CG2 4.14Å; L455-V488 HydrophobicContact CB-CG1 4.18Å; L455-V488 HydrophobicContact CB-CG2 3.69Å; L455-V488 HydrophobicContact CD1-CG2 3.72Å; L455-V488 HydrophobicContact CG-CG2 4.36Å | ||
| 456 | S | 83 | Confident | 92.2 | Very high | 88 Ų | 88 | 39.2 Ų | 39.2 | 62% | 0.615 | 22% | 0.217 | S | C | * | . | trans | -89.4 | 114.5 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 457 | G | 80.3 | Confident | 92.2 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 24% | 0.237 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -78.2 | 173.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S402 | S402-G457 PolarHBondContact OG-N 2.83Å; S402-G457 VanDerWaalsContact OG-N 3.09Å |
| 458 | P | 85.1 | Confident | 92 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 68% | 0.675 | 23% | 0.226 | S | C | * | . | S | Bend | cis | -76.5 | 116.4 | -8.9 | 29.8 | -31.3 | 0 | 0 | 0 | 110.9 | V488 P490 | P458-V488 WeakPolarHBondContact CA-O 3.39Å; P458-P490 HydrophobicContact CB-CB 4.02Å; P458-P490 HydrophobicContact CB-CG 4.49Å; P458-P490 HydrophobicContact CG-CB 4.17Å |
| 459 | R | 89 | Confident | 91.7 | Very high | 139 Ų | 139 | 40 Ų | 40 | 53% | 0.525 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 145.9 | -177 | -172.2 | 169.9 | 179.8 | -178.9 | 1.7 | 112.2 | V488 | R459-V488 PolarHBondContact N-O 3.28Å; R459-V488 VanDerWaalsContact N-O 3.16Å; R459-V488 WeakPolarHBondContact O-CB 3.38Å; R459-V488 PolarHBondContact O-N 3.41Å |
| 460 | E | 91 | Very high | 91.3 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135 | 166.1 | -67.5 | -176.4 | 133.4 | 0 | 0 | 111.2 | R358 Y360 T485 I486 I487 | R358-E460 WeakPolarHBondContact CD-OE1 3.44Å; R358-E460 IonicContact CZ-OE1 3.15Å; R358-E460 IonicContact CZ-OE2 2.68Å; R358-E460 IonicContact NE-OE1 3.24Å; R358-E460 PolarHBondContact NE-OE1 3.49Å; R358-E460 IonicContact NH1-OE1 3.16Å; R358-E460 PolarHBondContact NH1-OE1 3.33Å; R358-E460 IonicContact NH1-OE2 3.6Å; R358-E460 PolarHBondContact NH1-OE2 2.88Å; R358-E460 IonicContact NH2-OE1 2.79Å; R358-E460 IonicContact NH2-OE2 3.09Å; R358-E460 PolarHBondContact NH2-OE2 2.91Å; Y360-E460 PolarHBondContact OH-OE1 2.78Å; E460-T485 HydrophobicContact CB-CG2 4.46Å; E460-I486 WeakPolarHBondContact CA-O 3.38Å; E460-I487 HydrophobicContact CG-CG1 4.19Å; E460-I487 HydrophobicContact CG-CG2 4.41Å |
| 461 | H | 92.5 | Very high | 90.8 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 7% | 0.069 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.4 | 172.3 | -65.7 | -107 | 0 | 0 | 0 | 108.5 | F437 I486 | F437-H461 HydrophobicContact CZ-CB 4.49Å; H461-I486 HydrophobicContact CB-CB 4.34Å; H461-I486 PolarHBondContact N-O 3.4Å; H461-I486 PolarHBondContact O-N 3.4Å |
| 462 | I | 95.2 | Very high | 89.9 | Confident | 87 Ų | 87 | 46.2 Ų | 46.2 | 45% | 0.446 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.8 | 177.6 | -57.3 | 176.2 | 0 | 0 | 0 | 108 | G431 R483 L484 T485 | G431-I462 VanDerWaalsContact CA-O 3.26Å; G431-I462 WeakPolarHBondContact CA-O 3.48Å; I462-R483 HydrophobicContact CG2-CG 3.66Å; I462-L484 WeakPolarHBondContact CA-O 3.22Å; I462-T485 HydrophobicContact CG1-CG2 4.27Å |
| 463 | V | 96.4 | Very high | 89 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.1 | -178.4 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | I428 F437 L465 L484 I486 | I428-V463 HydrophobicContact CG2-CG1 3.82Å; F437-V463 HydrophobicContact CD2-CG2 4.02Å; F437-V463 HydrophobicContact CE2-CG2 3.61Å; F437-V463 HydrophobicContact CZ-CG2 4Å; V463-L465 HydrophobicContact CG1-CD2 3.73Å; V463-L465 HydrophobicContact CG1-CG 4.44Å; V463-L484 PolarHBondContact N-O 3.48Å; V463-L484 PolarHBondContact O-N 2.04Å; V463-I486 HydrophobicContact CG2-CD1 4.23Å |
| 464 | D | 97.1 | Very high | 88.1 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 116 | 172.6 | -69.3 | -26.6 | 0 | 0 | 0 | 109.7 | K429 S430 V481 R483 | K429-D464 HydrophobicContact CB-CB 4.03Å; K429-D464 WeakPolarHBondContact CB-O 3.34Å; K429-D464 PolarHBondContact N-O 3.39Å; S430-D464 PolarHBondContact O-N 2.98Å; S430-D464 VanDerWaalsContact OG-CB 3.26Å; S430-D464 WeakPolarHBondContact OG-CB 3.4Å; S430-D464 VanDerWaalsContact OG-CG 3.28Å; S430-D464 PolarHBondContact OG-OD2 3.12Å; D464-V481 HydrophobicContact CB-CG1 3.83Å; D464-R483 WeakPolarHBondContact OD1-CB 3.32Å; D464-R483 WeakPolarHBondContact OD1-CG 3.48Å; D464-R483 IonicContact OD1-CZ 3.46Å; D464-R483 IonicContact OD1-NE 2.74Å; D464-R483 PolarHBondContact OD1-NE 3.02Å; D464-R483 IonicContact OD1-NH2 3.32Å; D464-R483 PolarHBondContact OD1-NH2 2.04Å; D464-R483 IonicContact OD2-CZ 3.67Å; D464-R483 IonicContact OD2-NE 3.72Å; D464-R483 IonicContact OD2-NH2 2.77Å; D464-R483 PolarHBondContact OD2-NH2 2.81Å |
| 465 | L | 96.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.1 | 173.4 | -53.4 | -177.4 | 0 | 0 | 0 | 109 | I413 I428 L439 L449 V463 V481 L482 | I413-L465 HydrophobicContact CD1-CB 4.25Å; I413-L465 HydrophobicContact CD1-CD1 4.32Å; I413-L465 HydrophobicContact CG2-CD1 3.71Å; I428-L465 HydrophobicContact CB-CD2 4.38Å; I428-L465 HydrophobicContact CG1-CD2 3.81Å; I428-L465 HydrophobicContact CG2-CD2 4.37Å; L439-L465 HydrophobicContact CD1-CD1 4.44Å; L439-L465 HydrophobicContact CD1-CD2 4.43Å; L449-L465 HydrophobicContact CB-CD1 4.32Å; L449-L465 HydrophobicContact CD1-CD1 4.47Å; L449-L465 HydrophobicContact CD1-CD2 3.91Å; L449-L465 HydrophobicContact CD2-CD1 4.27Å; V463-L465 HydrophobicContact CG1-CD2 3.73Å; V463-L465 HydrophobicContact CG1-CG 4.44Å; L465-V481 CarbonylContact O-C 3.41Å; L465-V481 WeakPolarHBondContact O-CA 3.01Å; L465-L482 HydrophobicContact CB-CB 4.37Å; L465-L482 HydrophobicContact CD1-CD2 4.38Å; L465-L482 PolarHBondContact N-O 2.96Å; L465-L482 PolarHBondContact O-N 2.82Å |
| 466 | E | 95 | Very high | 86.9 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.7 | -176.7 | -172.2 | 175.6 | -117.1 | 0 | 0 | 111.3 | F426 R427 K429 L468 S479 V481 | F426-E466 CarbonylContact C-O 3.51Å; F426-E466 WeakPolarHBondContact CA-O 3.28Å; R427-E466 HydrophobicContact CG-CB 4.19Å; R427-E466 IonicContact CZ-OE2 2.81Å; R427-E466 PolarHBondContact N-O 2.72Å; R427-E466 IonicContact NE-OE2 2.9Å; R427-E466 PolarHBondContact NE-OE2 2.8Å; R427-E466 IonicContact NH2-OE2 3.87Å; R427-E466 PolarHBondContact NH2-OE2 2.85Å; R427-E466 PolarHBondContact O-N 2.92Å; K429-E466 HydrophobicContact CB-CB 4.01Å; K429-E466 HydrophobicContact CD-CB 4.23Å; K429-E466 HydrophobicContact CD-CG 4.49Å; K429-E466 IonicContact NZ-OE1 2.84Å; K429-E466 PolarHBondContact NZ-OE1 3.39Å; E466-L468 HydrophobicContact CG-CD2 4.06Å; E466-L468 HydrophobicContact CG-CG 4.33Å; E466-S479 VanDerWaalsContact CG-OG 3.27Å; E466-S479 WeakPolarHBondContact CG-OG 3.2Å; E466-S479 PolarHBondContact OE1-OG 2.9Å; E466-V481 HydrophobicContact CB-CG2 4.16Å; E466-V481 HydrophobicContact CG-CG2 4.01Å |
| 467 | M | 93.4 | Very high | 87 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 16% | 0.163 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115.4 | 164.2 | -176.7 | -177.6 | 73 | 0 | 0 | 108.6 | A415 N424 F426 S479 S480 | A415-M467 HydrophobicContact CB-CE 4.35Å; A415-M467 HydrophobicContact CB-SD 3.5Å; A415-M467 WeakPolarHBondContact CB-SD 3.45Å; N424-M467 HydrophobicContact CB-CG 4.28Å; N424-M467 HydrophobicContact CB-SD 4.42Å; F426-M467 HydrophobicContact CD1-CB 3.87Å; F426-M467 HydrophobicContact CD1-CG 3.92Å; F426-M467 HydrophobicContact CE1-CB 3.83Å; F426-M467 HydrophobicContact CE1-CG 3.54Å; F426-M467 HydrophobicContact CE1-SD 3.63Å; F426-M467 HydrophobicContact CZ-CG 4.11Å; F426-M467 HydrophobicContact CZ-SD 3.95Å; M467-S479 WeakPolarHBondContact O-CA 3.01Å; M467-S480 PolarHBondContact N-O 2.82Å; M467-S480 PolarHBondContact O-N 3.14Å |
| 468 | L | 91.2 | Very high | 87.4 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.3 | 167.9 | -63.5 | 176.9 | 0 | 0 | 0 | 108.5 | N424 T425 E466 T478 | N424-L468 CarbonylContact C-O 3.56Å; N424-L468 WeakPolarHBondContact CA-O 3.41Å; T425-L468 PolarHBondContact N-O 2.89Å; T425-L468 PolarHBondContact O-N 2.81Å; E466-L468 HydrophobicContact CG-CD2 4.06Å; E466-L468 HydrophobicContact CG-CG 4.33Å; L468-T478 WeakPolarHBondContact CA-O 3.47Å |
| 469 | T | 89.4 | Confident | 87.7 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.4 | 174.3 | -57 | 0 | 0 | 0 | 0 | 108.9 | Y419 T422 I423 N424 R477 T478 | Y419-T469 HydrophobicContact CD2-CG2 4.32Å; T422-T469 HydrophobicContact CG2-CG2 4.02Å; I423-T469 WeakPolarHBondContact O-CA 3.31Å; N424-T469 WeakPolarHBondContact OD1-CB 3.43Å; N424-T469 WeakPolarHBondContact OD1-CG2 3.17Å; N424-T469 PolarHBondContact OD1-OG1 3.33Å; T469-R477 WeakPolarHBondContact O-CA 3.03Å; T469-T478 HydrophobicContact CG2-CG2 4.49Å; T469-T478 PolarHBondContact N-O 2.75Å; T469-T478 PolarHBondContact O-N 3.18Å |
| 470 | V | 87.9 | Confident | 87.9 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 30% | 0.297 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.6 | -178.2 | -173 | 0 | 0 | 0 | 0 | 109.5 | T422 I423 R477 | T422-V470 CarbonylContact C-O 3.48Å; T422-V470 VanDerWaalsContact CA-O 3.27Å; T422-V470 WeakPolarHBondContact CA-O 3.44Å; T422-V470 WeakPolarHBondContact CB-O 3.35Å; I423-V470 PolarHBondContact N-O 3.46Å; I423-V470 PolarHBondContact O-N 3.41Å; V470-R477 HydrophobicContact CG2-CB 4.41Å; V470-R477 HydrophobicContact CG2-CG 4.14Å |
| 471 | S | 85.2 | Confident | 88 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 138.5 | 168.2 | 166.1 | 0 | 0 | 0 | 0 | 111 | I473 G474 T475 F476 | S471-I473 PolarHBondContact O-N 3.07Å; S471-I473 VanDerWaalsContact O-N 3.11Å; S471-I473 PolarHBondContact OG-N 3.13Å; S471-G474 WeakPolarHBondContact O-CA 3.29Å; S471-G474 PolarHBondContact O-N 3.41Å; S471-T475 WeakPolarHBondContact CB-OG1 3.33Å; S471-T475 PolarHBondContact OG-OG1 3.43Å; S471-F476 PolarHBondContact N-O 3.45Å |
| 472 | S | 77.1 | Confident | 88.2 | Confident | 72 Ų | 72 | 45.1 Ų | 45.1 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19 | 175.7 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | N421 | N421-S472 WeakPolarHBondContact O-CB 3.27Å; N421-S472 PolarHBondContact O-N 2.9Å; N421-S472 PolarHBondContact O-OG 2.83Å |
| 473 | I | 76.1 | Confident | 88.3 | Confident | 132 Ų | 132 | 44.1 Ų | 44.1 | 68% | 0.677 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 4.7 | 176.2 | -37.7 | -179.5 | 0 | 0 | 0 | 110.6 | S471 T475 | S471-I473 PolarHBondContact O-N 3.07Å; S471-I473 VanDerWaalsContact O-N 3.11Å; S471-I473 PolarHBondContact OG-N 3.13Å; I473-T475 HydrophobicContact CB-CG2 4.1Å; I473-T475 HydrophobicContact CG2-CG2 4.16Å; I473-T475 PolarHBondContact O-N 3.07Å; I473-T475 VanDerWaalsContact O-N 3.11Å |
| 474 | G | 73.1 | Confident | 88.3 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 59% | 0.588 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 69 | 3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S471 F476 | S471-G474 WeakPolarHBondContact O-CA 3.29Å; S471-G474 PolarHBondContact O-N 3.41Å; G474-F476 VanDerWaalsContact C-N 3.34Å; G474-F476 PolarHBondContact O-N 3.34Å |
| 475 | T | 74.2 | Confident | 88.2 | Confident | 105 Ų | 105 | 43.9 Ų | 43.9 | 64% | 0.644 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -69.7 | -24.1 | -169.1 | 49.1 | 0 | 0 | 0 | 0 | 115.2 | S471 I473 | S471-T475 WeakPolarHBondContact CB-OG1 3.33Å; S471-T475 PolarHBondContact OG-OG1 3.43Å; I473-T475 HydrophobicContact CB-CG2 4.1Å; I473-T475 HydrophobicContact CG2-CG2 4.16Å; I473-T475 PolarHBondContact O-N 3.07Å; I473-T475 VanDerWaalsContact O-N 3.11Å |
| 476 | F | 76.8 | Confident | 88.1 | Confident | 93 Ų | 93 | 43.8 Ų | 43.8 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | trans | -146.2 | 151.3 | 170.9 | 74.1 | -92 | 0 | 0 | 0 | 111 | T422 S471 G474 T478 | T422-F476 HydrophobicContact CG2-CZ 3.84Å; S471-F476 PolarHBondContact N-O 3.45Å; G474-F476 VanDerWaalsContact C-N 3.34Å; G474-F476 PolarHBondContact O-N 3.34Å; F476-T478 HydrophobicContact CE2-CG2 4.48Å | ||
| 477 | R | 84.6 | Confident | 88 | Confident | 168 Ų | 168 | 43.7 Ų | 43.7 | 63% | 0.634 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.5 | 170.5 | 173.2 | 177.6 | 179.7 | -168.2 | -0.8 | 107.5 | T469 V470 | T469-R477 WeakPolarHBondContact O-CA 3.03Å; V470-R477 HydrophobicContact CG2-CB 4.41Å; V470-R477 HydrophobicContact CG2-CG 4.14Å |
| 478 | T | 87.5 | Confident | 87.8 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 156.8 | 169.7 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | Q391 L468 T469 F476 | Q391-T478 WeakPolarHBondContact CB-OG1 3.4Å; Q391-T478 PolarHBondContact OE1-OG1 2.97Å; L468-T478 WeakPolarHBondContact CA-O 3.47Å; T469-T478 HydrophobicContact CG2-CG2 4.49Å; T469-T478 PolarHBondContact N-O 2.75Å; T469-T478 PolarHBondContact O-N 3.18Å; F476-T478 HydrophobicContact CE2-CG2 4.48Å |
| 479 | S | 91.4 | Very high | 87.5 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.8 | 173.6 | 167.8 | 0 | 0 | 0 | 0 | 108.7 | P390 Q391 E466 M467 | P390-S479 CarbonylContact C-O 3.54Å; Q391-S479 PolarHBondContact N-O 2.95Å; E466-S479 VanDerWaalsContact CG-OG 3.27Å; E466-S479 WeakPolarHBondContact CG-OG 3.2Å; E466-S479 PolarHBondContact OE1-OG 2.9Å; M467-S479 WeakPolarHBondContact O-CA 3.01Å |
| 480 | S | 93.2 | Very high | 87 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.9 | 164.9 | -69 | 0 | 0 | 0 | 0 | 109.2 | S392 M467 | S392-S480 WeakPolarHBondContact O-CA 3.46Å; S392-S480 WeakPolarHBondContact OG-CB 3.05Å; S392-S480 PolarHBondContact OG-OG 2.93Å; M467-S480 PolarHBondContact N-O 2.82Å; M467-S480 PolarHBondContact O-N 3.14Å |
| 481 | V | 95.1 | Very high | 86.4 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.5 | -176 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | P390 S392 I393 V394 K429 D464 L465 E466 | P390-V481 HydrophobicContact CB-CB 4.45Å; P390-V481 HydrophobicContact CB-CG2 3.9Å; P390-V481 HydrophobicContact CG-CB 4.45Å; P390-V481 HydrophobicContact CG-CG2 3.6Å; S392-V481 PolarHBondContact O-N 2.79Å; I393-V481 CarbonylContact C-O 3.6Å; I393-V481 VanDerWaalsContact CA-O 3.24Å; I393-V481 WeakPolarHBondContact CA-O 3.49Å; I393-V481 HydrophobicContact CG1-CB 4.42Å; V394-V481 PolarHBondContact N-O 2.98Å; K429-V481 HydrophobicContact CD-CG2 3.95Å; D464-V481 HydrophobicContact CB-CG1 3.83Å; L465-V481 CarbonylContact O-C 3.41Å; L465-V481 WeakPolarHBondContact O-CA 3.01Å; E466-V481 HydrophobicContact CB-CG2 4.16Å; E466-V481 HydrophobicContact CG-CG2 4.01Å |
| 482 | L | 95.7 | Very high | 85.7 | Confident | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.3 | 162 | 175.8 | 72.4 | 0 | 0 | 0 | 107.6 | V394 K396 F411 I413 L465 L484 | V394-L482 HydrophobicContact CB-CD1 3.85Å; V394-L482 HydrophobicContact CG1-CD1 3.89Å; V394-L482 CarbonylContact O-C 3.53Å; V394-L482 WeakPolarHBondContact O-CA 3.31Å; K396-L482 HydrophobicContact CB-CD1 4.06Å; K396-L482 HydrophobicContact CG-CD1 3.58Å; F411-L482 HydrophobicContact CD1-CD2 4.1Å; F411-L482 HydrophobicContact CE1-CD2 3.47Å; F411-L482 VanDerWaalsContact CE1-CD2 3.47Å; F411-L482 HydrophobicContact CZ-CD2 4.15Å; I413-L482 HydrophobicContact CG2-CD2 3.46Å; I413-L482 VanDerWaalsContact CG2-CD2 3.46Å; L465-L482 HydrophobicContact CB-CB 4.37Å; L465-L482 HydrophobicContact CD1-CD2 4.38Å; L465-L482 PolarHBondContact N-O 2.96Å; L465-L482 PolarHBondContact O-N 2.82Å; L482-L484 PolarHBondContact O-N 3.07Å |
| 483 | R | 96.6 | Very high | 85.4 | Confident | 66 Ų | 66 | 44 Ų | 44 | 25% | 0.249 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 106 | 169 | 179.9 | 157.9 | -71.6 | 169.2 | -0.1 | 108.3 | I393 V394 Y395 K396 I462 D464 | I393-R483 HydrophobicContact CG2-CB 4.36Å; V394-R483 PolarHBondContact O-N 3.31Å; Y395-R483 HydrophobicContact CD1-CB 4.26Å; Y395-R483 HydrophobicContact CD1-CG 4.3Å; Y395-R483 HydrophobicContact CE1-CB 4.49Å; Y395-R483 HydrophobicContact CE1-CG 4.44Å; K396-R483 PolarHBondContact N-O 2.03Å; I462-R483 HydrophobicContact CG2-CG 3.66Å; D464-R483 WeakPolarHBondContact OD1-CB 3.32Å; D464-R483 WeakPolarHBondContact OD1-CG 3.48Å; D464-R483 IonicContact OD1-CZ 3.46Å; D464-R483 IonicContact OD1-NE 2.74Å; D464-R483 PolarHBondContact OD1-NE 3.02Å; D464-R483 IonicContact OD1-NH2 3.32Å; D464-R483 PolarHBondContact OD1-NH2 2.04Å; D464-R483 IonicContact OD2-CZ 3.67Å; D464-R483 IonicContact OD2-NE 3.72Å; D464-R483 IonicContact OD2-NH2 2.77Å; D464-R483 PolarHBondContact OD2-NH2 2.81Å |
| 484 | L | 96.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.5 | 178.8 | -178.8 | 64.8 | 0 | 0 | 0 | 109.5 | K396 M398 F411 L449 I462 V463 L482 I486 | K396-L484 HydrophobicContact CB-CD1 3.94Å; K396-L484 WeakPolarHBondContact O-CA 3Å; M398-L484 HydrophobicContact CG-CD1 4.06Å; M398-L484 HydrophobicContact SD-CD1 4.09Å; M398-L484 HydrophobicContact SD-CD2 3.96Å; M398-L484 HydrophobicContact SD-CG 4.34Å; F411-L484 HydrophobicContact CB-CD2 3.83Å; F411-L484 HydrophobicContact CD1-CD2 4.27Å; F411-L484 HydrophobicContact CD2-CD1 3.74Å; F411-L484 HydrophobicContact CD2-CD2 3.95Å; F411-L484 HydrophobicContact CE2-CD1 3.7Å; F411-L484 HydrophobicContact CG-CD1 4.29Å; F411-L484 HydrophobicContact CG-CD2 3.74Å; F411-L484 HydrophobicContact CZ-CD1 4.24Å; L449-L484 HydrophobicContact CD2-CD2 3.76Å; I462-L484 WeakPolarHBondContact CA-O 3.22Å; V463-L484 PolarHBondContact N-O 3.48Å; V463-L484 PolarHBondContact O-N 2.04Å; L482-L484 PolarHBondContact O-N 3.07Å; L484-I486 HydrophobicContact CD2-CD1 4.16Å; L484-I486 HydrophobicContact CD2-CG1 4.11Å; L484-I486 HydrophobicContact CG-CG1 3.97Å |
| 485 | T | 95.3 | Very high | 86.5 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117 | 171.1 | -55.8 | 0 | 0 | 0 | 0 | 109.2 | K396 Y397 M398 E460 I462 I487 | K396-T485 PolarHBondContact O-N 3.43Å; Y397-T485 CarbonylContact C-O 3.49Å; Y397-T485 WeakPolarHBondContact CA-O 3.45Å; Y397-T485 HydrophobicContact CD1-CG2 4.4Å; M398-T485 PolarHBondContact N-O 2.91Å; E460-T485 HydrophobicContact CB-CG2 4.46Å; I462-T485 HydrophobicContact CG1-CG2 4.27Å; T485-I487 HydrophobicContact CG2-CG1 4.5Å |
| 486 | I | 94 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 112.7 | 178.6 | -53.5 | 175.4 | 0 | 0 | 0 | 107.6 | M398 I400 I410 F437 L449 L455 E460 H461 V463 L484 V488 | M398-I486 HydrophobicContact CG-CB 4.29Å; M398-I486 HydrophobicContact CG-CG1 3.91Å; M398-I486 HydrophobicContact CG-CG2 4.26Å; M398-I486 WeakPolarHBondContact O-CA 3.04Å; M398-I486 HydrophobicContact SD-CD1 4.45Å; M398-I486 HydrophobicContact SD-CG1 4.02Å; I400-I486 HydrophobicContact CB-CG2 4.28Å; I400-I486 HydrophobicContact CD1-CG2 3.63Å; I400-I486 HydrophobicContact CG1-CG2 3.85Å; I410-I486 HydrophobicContact CD1-CD1 3.95Å; F437-I486 HydrophobicContact CE1-CD1 3.64Å; F437-I486 HydrophobicContact CZ-CD1 3.73Å; L449-I486 HydrophobicContact CD2-CD1 4.42Å; L455-I486 HydrophobicContact CD1-CG2 4.14Å; E460-I486 WeakPolarHBondContact CA-O 3.38Å; H461-I486 HydrophobicContact CB-CB 4.34Å; H461-I486 PolarHBondContact N-O 3.4Å; H461-I486 PolarHBondContact O-N 3.4Å; V463-I486 HydrophobicContact CG2-CD1 4.23Å; L484-I486 HydrophobicContact CD2-CD1 4.16Å; L484-I486 HydrophobicContact CD2-CG1 4.11Å; L484-I486 HydrophobicContact CG-CG1 3.97Å; I486-V488 HydrophobicContact CG2-CG2 4.39Å |
| 487 | I | 92.7 | Very high | 87.8 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.6 | 177 | -50.5 | 155.7 | 0 | 0 | 0 | 108.7 | Y353 Y360 M398 S399 I400 E460 T485 | Y353-I487 HydrophobicContact CD1-CB 4.39Å; Y353-I487 HydrophobicContact CD1-CD1 3.73Å; Y353-I487 HydrophobicContact CD1-CG2 3.7Å; Y353-I487 HydrophobicContact CD2-CG2 3.66Å; Y353-I487 HydrophobicContact CE1-CD1 4.44Å; Y353-I487 HydrophobicContact CE1-CG2 3.98Å; Y353-I487 HydrophobicContact CE2-CG2 4Å; Y353-I487 HydrophobicContact CG-CB 4.22Å; Y353-I487 HydrophobicContact CG-CD1 4.24Å; Y353-I487 HydrophobicContact CG-CG2 3.52Å; Y360-I487 HydrophobicContact CE2-CD1 4.3Å; Y360-I487 WeakPolarHBondContact OH-CD1 3.48Å; M398-I487 PolarHBondContact O-N 3.48Å; S399-I487 CarbonylContact C-O 3.55Å; S399-I487 VanDerWaalsContact CA-O 3.24Å; S399-I487 WeakPolarHBondContact CA-O 3.04Å; I400-I487 PolarHBondContact N-O 3.08Å; E460-I487 HydrophobicContact CG-CG1 4.19Å; E460-I487 HydrophobicContact CG-CG2 4.41Å; T485-I487 HydrophobicContact CG2-CG1 4.5Å |
| 488 | V | 90 | Very high | 88 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.2 | 179.7 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | I400 S402 L455 P458 R459 I486 | I400-V488 WeakPolarHBondContact O-CA 3.12Å; S402-V488 VanDerWaalsContact OG-CG1 3.29Å; S402-V488 WeakPolarHBondContact OG-CG1 3.19Å; L455-V488 HydrophobicContact CB-CG1 4.18Å; L455-V488 HydrophobicContact CB-CG2 3.69Å; L455-V488 HydrophobicContact CD1-CG2 3.72Å; L455-V488 HydrophobicContact CG-CG2 4.36Å; P458-V488 WeakPolarHBondContact CA-O 3.39Å; R459-V488 PolarHBondContact N-O 3.28Å; R459-V488 VanDerWaalsContact N-O 3.16Å; R459-V488 WeakPolarHBondContact O-CB 3.38Å; R459-V488 PolarHBondContact O-N 3.41Å; I486-V488 HydrophobicContact CG2-CG2 4.39Å |
| 489 | G | 83.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | -68.9 | 152.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H354 S402 F491 | H354-G489 WeakPolarHBondContact O-CA 3.36Å; S402-G489 PolarHBondContact OG-O 3.47Å; G489-F491 VanDerWaalsContact C-N 3.26Å; G489-F491 PolarHBondContact O-N 3.49Å | ||
| 490 | P | 79.3 | Confident | 87.8 | Confident | 48 Ų | 48 | 23.6 Ų | 23.6 | 31% | 0.312 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -66 | -26.4 | 179.8 | 24.6 | -30.7 | 0 | 0 | 0 | 113.3 | H354 P458 | H354-P490 WeakPolarHBondContact O-CD 3.29Å; P458-P490 HydrophobicContact CB-CB 4.02Å; P458-P490 HydrophobicContact CB-CG 4.49Å; P458-P490 HydrophobicContact CG-CB 4.17Å |
| 491 | F | 76.9 | Confident | 87.4 | Confident | 54 Ų | 54 | 23.6 Ų | 23.6 | 24% | 0.237 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -114.9 | 163 | -179.4 | -56.8 | -76.5 | 0 | 0 | 0 | 112.5 | Y307 P321 Y324 G489 F493 | Y307-F491 HydrophobicContact CD2-CE1 4.33Å; Y307-F491 HydrophobicContact CE2-CD1 4.19Å; Y307-F491 AromaticContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CZ 4.24Å; P321-F491 HydrophobicContact CB-CD2 4.1Å; P321-F491 HydrophobicContact CB-CE1 4.31Å; P321-F491 HydrophobicContact CB-CE2 3.35Å; P321-F491 HydrophobicContact CB-CZ 3.47Å; P321-F491 VanDerWaalsContact CB-CZ 3.47Å; P321-F491 HydrophobicContact CG-CD1 4.33Å; P321-F491 HydrophobicContact CG-CD2 3.51Å; P321-F491 HydrophobicContact CG-CE1 4.15Å; P321-F491 HydrophobicContact CG-CE2 3.3Å; P321-F491 HydrophobicContact CG-CG 4.04Å; P321-F491 HydrophobicContact CG-CZ 3.65Å; Y324-F491 HydrophobicContact CD2-CD2 4.36Å; Y324-F491 HydrophobicContact CE2-CB 4.44Å; Y324-F491 AromaticContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CE2 4.48Å; Y324-F491 HydrophobicContact CE2-CG 4.48Å; G489-F491 VanDerWaalsContact C-N 3.26Å; G489-F491 PolarHBondContact O-N 3.49Å; F491-F493 HydrophobicContact CB-CD1 4.04Å; F491-F493 HydrophobicContact CB-CD2 4.48Å; F491-F493 HydrophobicContact CB-CE1 3.64Å; F491-F493 HydrophobicContact CB-CE2 4.1Å; F491-F493 HydrophobicContact CB-CG 4.45Å; F491-F493 HydrophobicContact CB-CZ 3.67Å; F491-F493 HydrophobicContact CD1-CE1 4.27Å; F491-F493 HydrophobicContact CD1-CZ 4.29Å; F491-F493 HydrophobicContact CD2-CZ 4.41Å; F491-F493 HydrophobicContact CG-CE1 4.08Å; F491-F493 AromaticContact CG-CZ 3.86Å; F491-F493 HydrophobicContact CG-CZ 3.86Å |
| 492 | S | 69.3 | Low | 86.8 | Confident | 58 Ų | 58 | 25.1 Ų | 25.1 | 41% | 0.406 | 13% | 0.132 | S | C | . | . | trans | -91 | 6.6 | -174.1 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | R401 | R401-S492 PolarHBondContact NE-O 3.14Å; R401-S492 PolarHBondContact NH2-O 3.27Å | ||
| 493 | F | 71 | Confident | 86 | Confident | 32 Ų | 32 | 25 Ų | 25 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | trans | -106.4 | 0 | -175.4 | 38 | -94.6 | 0 | 0 | 0 | 113.8 | Q306 Y307 P321 Y324 C332 H354 R401 F491 | Q306-F493 HydrophobicContact CG-CD1 4.43Å; Y307-F493 HydrophobicContact CD2-CE1 4.5Å; Y307-F493 HydrophobicContact CD2-CZ 4.49Å; P321-F493 HydrophobicContact CG-CE2 4.24Å; P321-F493 HydrophobicContact CG-CZ 3.78Å; Y324-F493 AromaticContact CD1-CD2 3.53Å; Y324-F493 HydrophobicContact CD1-CD2 3.53Å; Y324-F493 AromaticContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD2-CE2 4.02Å; Y324-F493 AromaticContact CE1-CD2 3.3Å; Y324-F493 HydrophobicContact CE1-CD2 3.3Å; Y324-F493 AromaticContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CG 4.47Å; Y324-F493 HydrophobicContact CE2-CE2 4.06Å; Y324-F493 HydrophobicContact CG-CD2 4.31Å; Y324-F493 AromaticContact CG-CE2 3.66Å; Y324-F493 HydrophobicContact CG-CE2 3.66Å; Y324-F493 AromaticContact CZ-CD2 3.93Å; Y324-F493 AromaticContact CZ-CE2 3.74Å; C332-F493 HydrophobicContact CB-CD2 3.7Å; C332-F493 HydrophobicContact CB-CE2 3.37Å; C332-F493 HydrophobicContact CB-CZ 3.97Å; H354-F493 PolarHBondContact ND1-O 3.44Å; R401-F493 WeakPolarHBondContact CD-OXT 3.2Å; R401-F493 PolarHBondContact NH1-OXT 2.68Å; F491-F493 HydrophobicContact CB-CD1 4.04Å; F491-F493 HydrophobicContact CB-CD2 4.48Å; F491-F493 HydrophobicContact CB-CE1 3.64Å; F491-F493 HydrophobicContact CB-CE2 4.1Å; F491-F493 HydrophobicContact CB-CG 4.45Å; F491-F493 HydrophobicContact CB-CZ 3.67Å; F491-F493 HydrophobicContact CD1-CE1 4.27Å; F491-F493 HydrophobicContact CD1-CZ 4.29Å; F491-F493 HydrophobicContact CD2-CZ 4.41Å; F491-F493 HydrophobicContact CG-CE1 4.08Å; F491-F493 AromaticContact CG-CZ 3.86Å; F491-F493 HydrophobicContact CG-CZ 3.86Å |
Retrieved 493 of 493 residues in 142.6 ms
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