| 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 | 34.2 | Very low | 32.7 | Very low | 236 Ų | 236 | 138.5 Ų | 138.5 | 100% | 1.163 | 85% | 0.845 | S | S | * | * | 0 | 123.1 | 0 | -97.7 | 170.3 | 149.1 | 0 | 0 | 107.6 | |||||
| 2 | Q | 33.8 | Very low | 32.9 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | 65.5 | 121.6 | 165.9 | -61.1 | 169.7 | -20.2 | 0 | 0 | 115.4 | ||||
| 3 | G | 32.2 | Very low | 32.9 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | cis | 83.7 | 130.6 | 30.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | V | 36.2 | Very low | 33.4 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | cis | -171.5 | 156.6 | 13.4 | 156.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | C | 28.6 | Very low | 33.3 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | 71 | 125 | 151.7 | -85.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 6 | A | 31.3 | Very low | 33.3 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | -173.6 | 105.6 | 100.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 7 | A | 33.2 | Very low | 33.4 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 74% | 0.744 | 84% | 0.836 | S | S | * | * | 69.6 | 107.6 | 92.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 8 | I | 32.9 | Very low | 33.3 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -156.7 | 112.1 | 142.8 | -89.9 | 142.9 | 0 | 0 | 0 | 108.9 | ||||
| 9 | L | 33.1 | Very low | 33.5 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | trans | 45.8 | 112 | 145.8 | -72.1 | 145.1 | 0 | 0 | 0 | 122 | ||||
| 10 | C | 31.9 | Very low | 33.6 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | trans | -62.8 | 131.5 | 148.7 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | V | 32.5 | Very low | 34 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | -145.9 | 118.4 | 129.8 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 12 | S | 34.9 | Very low | 34.3 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -63.1 | 141.9 | 173.9 | 43.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 13 | V | 32.9 | Very low | 34.5 | Very low | 139 Ų | 139 | 134 Ų | 134 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | -156.5 | 134.2 | 129.7 | 174.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 14 | F | 39.9 | Very low | 34.8 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 79% | 0.789 | 81% | 0.809 | S | S | * | * | trans | -33.8 | 129.8 | 176.6 | -72.1 | -100 | 0 | 0 | 0 | 119.3 | ||||
| 15 | L | 31.3 | Very low | 35.3 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -152.8 | 108.4 | 137.5 | -99.2 | 129.2 | 0 | 0 | 0 | 108.5 | S17 | L15-S17 PolarHBondContact O-N 3.15Š| ||
| 16 | R | 33.5 | Very low | 35.9 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -79.1 | 107.8 | 171.4 | -81.5 | -173.4 | 175.4 | -173.2 | -0.5 | 108.5 | A18 | R16-A18 PolarHBondContact O-N 3.03Š| ||
| 17 | S | 35.1 | Very low | 36.2 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -81.9 | 98.8 | 159.3 | -43.7 | 0 | 0 | 0 | 0 | 107.6 | L15 | L15-S17 PolarHBondContact O-N 3.15Š| ||
| 18 | A | 31.7 | Very low | 36.8 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -89.2 | 121.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | R16 | R16-A18 PolarHBondContact O-N 3.03Š| ||
| 19 | I | 37.7 | Very low | 37.7 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -55.8 | 130 | 174 | -70.4 | 155.5 | 0 | 0 | 0 | 109.7 | Q21 | I19-Q21 PolarHBondContact O-N 3.09Å; I19-Q21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | S | 34.8 | Very low | 38.8 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -59.6 | 104.5 | 172.1 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | Q | 41.8 | Very low | 40.2 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 145 | 156.5 | -74.2 | -177.7 | -29 | 0 | 0 | 108.6 | I19 | I19-Q21 PolarHBondContact O-N 3.09Å; I19-Q21 VanDerWaalsContact O-N 3.1Å |
| 22 | P | 40.5 | Very low | 42 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 143.5 | 176.2 | 28.9 | -33.1 | 0 | 0 | 0 | 109.9 | T24 | P22-T24 PolarHBondContact O-N 3.49Š|
| 23 | P | 38.7 | Very low | 43.7 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 122.6 | 179.2 | 28 | -30.6 | 0 | 0 | 0 | 109.1 | E25 | P23-E25 PolarHBondContact O-N 3.01Š|
| 24 | T | 38.3 | Very low | 45.4 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | -69.2 | 112.5 | 157.6 | 43.4 | 0 | 0 | 0 | 0 | 107.4 | P22 S26 | P22-T24 PolarHBondContact O-N 3.49Å; T24-S26 PolarHBondContact O-N 3.01Å; T24-S26 VanDerWaalsContact O-N 3.16Å | ||
| 25 | E | 47 | Very low | 46.6 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -56.3 | 115.2 | 167 | -80.7 | 178.1 | 152.9 | 0 | 0 | 109.5 | P23 | P23-E25 PolarHBondContact O-N 3.01Š| ||
| 26 | S | 41 | Very low | 48.7 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | trans | -139.2 | 66 | 154 | 71.6 | 0 | 0 | 0 | 0 | 107.7 | T24 T28 | T24-S26 PolarHBondContact O-N 3.01Å; T24-S26 VanDerWaalsContact O-N 3.16Å; S26-T28 VanDerWaalsContact C-N 3.31Å; S26-T28 PolarHBondContact O-N 3.07Å | ||
| 27 | D | 37.2 | Very low | 51 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | trans | -74.9 | 88.6 | 167.9 | -76.1 | -24.6 | 0 | 0 | 0 | 108.4 | Y29 | D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 HydrophobicContact CB-CD2 4.49Å; D27-Y29 PolarHBondContact O-N 3.34Å; D27-Y29 VanDerWaalsContact O-N 3.07Å | ||
| 28 | T | 46.8 | Very low | 53.2 | Low | 116 Ų | 116 | 118.3 Ų | 118.3 | 71% | 0.712 | 65% | 0.652 | S | S | * | * | trans | -75.1 | 88.9 | 162.8 | 47.2 | 0 | 0 | 0 | 0 | 108.3 | S26 T30 | S26-T28 VanDerWaalsContact C-N 3.31Å; S26-T28 PolarHBondContact O-N 3.07Å; T28-T30 PolarHBondContact O-N 2.02Å; T28-T30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | Y | 50.8 | Low | 55.4 | Low | 185 Ų | 185 | 115.1 Ų | 115.1 | 73% | 0.725 | 62% | 0.621 | S | S | * | * | trans | -55.6 | 114.8 | 166.6 | -101.3 | -98.1 | 0 | 0 | 0 | 108.9 | D27 | D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 HydrophobicContact CB-CD2 4.49Å; D27-Y29 PolarHBondContact O-N 3.34Å; D27-Y29 VanDerWaalsContact O-N 3.07Å | ||
| 30 | T | 57.3 | Low | 57 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | trans | -114.6 | 38.1 | 177.2 | 30.8 | 0 | 0 | 0 | 0 | 110.6 | T28 W38 | T28-T30 PolarHBondContact O-N 2.02Å; T28-T30 VanDerWaalsContact O-N 3.13Å; T30-W38 HydrophobicContact CG2-CD2 4.39Å; T30-W38 HydrophobicContact CG2-CZ2 4.19Å | ||
| 31 | E | 61 | Low | 58.8 | Low | 166 Ų | 166 | 115.5 Ų | 115.5 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | trans | -110.9 | 114.6 | 174.7 | -72 | -173.8 | 165.2 | 0 | 0 | 109.6 | ||||
| 32 | C | 70.1 | Confident | 60.4 | Low | 29 Ų | 29 | 110.4 Ų | 110.4 | 20% | 0.196 | 60% | 0.596 | C | S | . | * | P | Polyproline II helix | trans | -84.8 | 146.7 | 169 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | Y36 W38 C45 | C32-Y36 WeakPolarHBondContact CB-O 3.5Å; C32-W38 VanDerWaalsContact SG-CA 3.54Å; C32-W38 PolarHBondContact SG-N 3.44Å; C32-W38 VanDerWaalsContact SG-N 3.42Å; C32-C45 VanDerWaalsContact CA-SG 3.53Å; C32-C45 HydrophobicContact CB-CB 3.82Å; C32-C45 WeakPolarHBondContact CB-SG 3.36Å; C32-C45 VanDerWaalsContact SG-CA 3.55Å; C32-C45 WeakPolarHBondContact SG-CB 3.26Å; C32-C45 CovalentContact SG-SG 2.03Å; C32-C45 PolarHBondContact SG-SG 2.86Å |
| 33 | T | 69.7 | Low | 62.2 | Low | 106 Ų | 106 | 112 Ų | 112 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 152.4 | 170.4 | 48.3 | 0 | 0 | 0 | 0 | 111.3 | G35 Y36 | T33-G35 PolarHBondContact O-N 3.06Å; T33-Y36 PolarHBondContact O-N 2.9Å; T33-Y36 VanDerWaalsContact O-N 3.12Å |
| 34 | D | 69.1 | Low | 63.9 | Low | 163 Ų | 163 | 112.3 Ų | 112.3 | 87% | 0.872 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | 137.8 | 177.3 | -64.6 | -22.5 | 0 | 0 | 0 | 112 | ||
| 35 | G | 66.3 | Low | 65.7 | Low | 18 Ų | 18 | 108.6 Ų | 108.6 | 19% | 0.186 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 89.8 | -3.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T33 I48 | T33-G35 PolarHBondContact O-N 3.06Å; G35-I48 PolarHBondContact O-N 2.94Å |
| 36 | Y | 75.4 | Confident | 67.2 | Low | 68 Ų | 68 | 104.9 Ų | 104.9 | 27% | 0.267 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.9 | 178.1 | -61.8 | -99.6 | 0 | 0 | 0 | 112.4 | C32 T33 K46 D47 Y68 G69 | C32-Y36 WeakPolarHBondContact CB-O 3.5Å; T33-Y36 PolarHBondContact O-N 2.9Å; T33-Y36 VanDerWaalsContact O-N 3.12Å; Y36-K46 CarbonylContact C-O 3.56Å; Y36-K46 VanDerWaalsContact CA-O 3.3Å; Y36-K46 WeakPolarHBondContact CA-O 3.38Å; Y36-D47 HydrophobicContact CD1-CB 4.27Å; Y36-D47 HydrophobicContact CE1-CB 4.11Å; Y36-Y68 VanDerWaalsContact OH-C 3.29Å; Y36-G69 PolarHBondContact OH-N 2.59Å; Y36-G69 VanDerWaalsContact OH-N 3.16Å |
| 37 | Q | 80.3 | Confident | 69 | Low | 134 Ų | 134 | 102.3 Ų | 102.3 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.4 | 176.7 | -172.2 | 172.6 | 19.2 | 0 | 0 | 110.7 | D39 K46 I48 | Q37-D39 PolarHBondContact O-N 3.03Å; Q37-K46 PolarHBondContact N-O 3.22Å; Q37-K46 PolarHBondContact O-N 3.36Å; Q37-I48 HydrophobicContact CB-CD1 3.96Å; Q37-I48 HydrophobicContact CB-CG1 3.76Å |
| 38 | W | 81.2 | Confident | 71.1 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 35% | 0.352 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 122.8 | 176.7 | -177.4 | -102.2 | 0 | 0 | 0 | 111.1 | T30 C32 P40 Q43 | T30-W38 HydrophobicContact CG2-CD2 4.39Å; T30-W38 HydrophobicContact CG2-CZ2 4.19Å; C32-W38 VanDerWaalsContact SG-CA 3.54Å; C32-W38 PolarHBondContact SG-N 3.44Å; C32-W38 VanDerWaalsContact SG-N 3.42Å; W38-P40 WeakPolarHBondContact O-CD 3.19Å; W38-Q43 VanDerWaalsContact CH2-C 3.4Å; W38-Q43 HydrophobicContact CH2-CB 4.28Å; W38-Q43 WeakPolarHBondContact CH2-O 3.38Å; W38-Q43 HydrophobicContact CZ2-CB 4.07Å |
| 39 | D | 79.4 | Confident | 72.6 | Confident | 30 Ų | 30 | 95 Ų | 95 | 16% | 0.16 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.2 | 170.3 | -174.1 | -22 | 0 | 0 | 0 | 110.1 | Q37 Q41 T42 Q43 H44 K46 | Q37-D39 PolarHBondContact O-N 3.03Å; D39-Q41 PolarHBondContact O-N 3.42Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.04Å; D39-Q41 PolarHBondContact OD1-N 3.3Å; D39-T42 WeakPolarHBondContact CB-OG1 3.04Å; D39-T42 PolarHBondContact O-N 2.81Å; D39-T42 PolarHBondContact OD1-N 2.66Å; D39-Q43 WeakPolarHBondContact O-CA 3.46Å; D39-Q43 PolarHBondContact O-N 3.4Å; D39-H44 PolarHBondContact N-O 3.35Å; D39-K46 HydrophobicContact CB-CD 3.93Å; D39-K46 HydrophobicContact CB-CG 4.13Å; D39-K46 WeakPolarHBondContact OD2-CD 3.09Å; D39-K46 WeakPolarHBondContact OD2-CE 3.33Å; D39-K46 IonicContact OD2-NZ 2.85Å; D39-K46 PolarHBondContact OD2-NZ 2.03Å |
| 40 | P | 70.9 | Confident | 74.1 | Confident | 100 Ų | 100 | 87 Ų | 87 | 65% | 0.649 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.1 | -177.8 | 26.9 | -32.5 | 0 | 0 | 0 | 114 | W38 | W38-P40 WeakPolarHBondContact O-CD 3.19Š|
| 41 | Q | 72 | Confident | 75.1 | Confident | 182 Ų | 182 | 84.7 Ų | 84.7 | 85% | 0.85 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -35.6 | 176 | -63.3 | -168.3 | -9.8 | 0 | 0 | 112.2 | D39 | D39-Q41 PolarHBondContact O-N 3.42Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.04Å; D39-Q41 PolarHBondContact OD1-N 3.3Å |
| 42 | T | 75.8 | Confident | 75.9 | Confident | 63 Ų | 63 | 84.5 Ų | 84.5 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -5.6 | 179.1 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | D39 H44 | D39-T42 WeakPolarHBondContact CB-OG1 3.04Å; D39-T42 PolarHBondContact O-N 2.81Å; D39-T42 PolarHBondContact OD1-N 2.66Å; T42-H44 PolarHBondContact O-CD2 2.81Å; T42-H44 PolarHBondContact O-N 3.39Å |
| 43 | Q | 77.2 | Confident | 76.2 | Confident | 144 Ų | 144 | 87.3 Ų | 87.3 | 67% | 0.673 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37.2 | -174.9 | -62.6 | -171.9 | -21.1 | 0 | 0 | 113.2 | W38 D39 | W38-Q43 VanDerWaalsContact CH2-C 3.4Å; W38-Q43 HydrophobicContact CH2-CB 4.28Å; W38-Q43 WeakPolarHBondContact CH2-O 3.38Å; W38-Q43 HydrophobicContact CZ2-CB 4.07Å; D39-Q43 WeakPolarHBondContact O-CA 3.46Å; D39-Q43 PolarHBondContact O-N 3.4Å |
| 44 | H | 75.1 | Confident | 76.6 | Confident | 134 Ų | 134 | 85.7 Ų | 85.7 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.6 | -179.6 | -75.1 | -62.7 | 0 | 0 | 0 | 110.4 | D39 T42 K46 | D39-H44 PolarHBondContact N-O 3.35Å; T42-H44 PolarHBondContact O-CD2 2.81Å; T42-H44 PolarHBondContact O-N 3.39Å; H44-K46 PolarHBondContact O-N 3.2Å |
| 45 | C | 75.8 | Confident | 76.2 | Confident | 52 Ų | 52 | 83.7 Ų | 83.7 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 120.8 | 171.4 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | C32 | C32-C45 VanDerWaalsContact CA-SG 3.53Å; C32-C45 HydrophobicContact CB-CB 3.82Å; C32-C45 WeakPolarHBondContact CB-SG 3.36Å; C32-C45 VanDerWaalsContact SG-CA 3.55Å; C32-C45 WeakPolarHBondContact SG-CB 3.26Å; C32-C45 CovalentContact SG-SG 2.03Å; C32-C45 PolarHBondContact SG-SG 2.86Å |
| 46 | K | 78.7 | Confident | 76.3 | Confident | 104 Ų | 104 | 91.6 Ų | 91.6 | 45% | 0.452 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140.8 | 174.8 | -74.8 | -174.1 | 176.8 | 171.2 | 0 | 110.2 | Y36 Q37 D39 H44 | Y36-K46 CarbonylContact C-O 3.56Å; Y36-K46 VanDerWaalsContact CA-O 3.3Å; Y36-K46 WeakPolarHBondContact CA-O 3.38Å; Q37-K46 PolarHBondContact N-O 3.22Å; Q37-K46 PolarHBondContact O-N 3.36Å; D39-K46 HydrophobicContact CB-CD 3.93Å; D39-K46 HydrophobicContact CB-CG 4.13Å; D39-K46 WeakPolarHBondContact OD2-CD 3.09Å; D39-K46 WeakPolarHBondContact OD2-CE 3.33Å; D39-K46 IonicContact OD2-NZ 2.85Å; D39-K46 PolarHBondContact OD2-NZ 2.03Å; H44-K46 PolarHBondContact O-N 3.2Å |
| 47 | D | 78.9 | Confident | 75.9 | Confident | 42 Ų | 42 | 89.1 Ų | 89.1 | 23% | 0.225 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 133.9 | 174.6 | -175.8 | 63.3 | 0 | 0 | 0 | 111.4 | Y36 N66 H67 Y68 G69 | Y36-D47 HydrophobicContact CD1-CB 4.27Å; Y36-D47 HydrophobicContact CE1-CB 4.11Å; D47-N66 PolarHBondContact OD2-ND2 2.82Å; D47-H67 VanDerWaalsContact OD1-O 3.08Å; D47-Y68 HydrophobicContact CB-CD1 4.03Å; D47-Y68 HydrophobicContact CB-CE1 4.39Å; D47-Y68 WeakPolarHBondContact OD1-CA 3.5Å; D47-G69 PolarHBondContact OD1-N 3.02Å |
| 48 | I | 80.6 | Confident | 75.5 | Confident | 48 Ų | 48 | 83.6 Ų | 83.6 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 133.7 | 175.4 | -62.9 | 173.2 | 0 | 0 | 0 | 107.9 | G35 Q37 E50 T53 N66 | G35-I48 PolarHBondContact O-N 2.94Å; Q37-I48 HydrophobicContact CB-CD1 3.96Å; Q37-I48 HydrophobicContact CB-CG1 3.76Å; I48-E50 HydrophobicContact CG2-CG 4.47Å; I48-E50 PolarHBondContact O-N 2.84Å; I48-E50 VanDerWaalsContact O-N 3.15Å; I48-T53 HydrophobicContact CG2-CG2 4.26Å; I48-N66 PolarHBondContact O-OD1 2.85Å |
| 49 | N | 78.3 | Confident | 74.8 | Confident | 48 Ų | 48 | 88.4 Ų | 88.4 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | trans | -81.5 | 93.1 | 172.2 | -172.9 | -9.1 | 0 | 0 | 0 | 111 | C51 E52 T53 N66 | N49-C51 PolarHBondContact O-N 2.96Å; N49-C51 WeakPolarHBondContact OD1-CB 3.14Å; N49-C51 PolarHBondContact OD1-N 2.97Å; N49-E52 VanDerWaalsContact ND2-CD 3.26Å; N49-E52 PolarHBondContact ND2-OE1 3.3Å; N49-E52 PolarHBondContact O-N 2.73Å; N49-T53 PolarHBondContact O-N 3.27Å; N49-T53 VanDerWaalsContact O-N 3.12Å; N49-T53 PolarHBondContact O-OG1 3.33Å; N49-N66 VanDerWaalsContact CA-OD1 3.29Å; N49-N66 WeakPolarHBondContact CA-OD1 3.45Å; N49-N66 WeakPolarHBondContact OD1-CB 3.47Å; N49-N66 PolarHBondContact OD1-OD1 2.84Å | ||
| 50 | E | 83.7 | Confident | 74.2 | Confident | 17 Ų | 17 | 90.4 Ų | 90.4 | 8% | 0.079 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -69.6 | -22.1 | -177.1 | -60.4 | 87 | 177.3 | 0 | 0 | 113.5 | I48 E52 T53 I54 N66 G70 Y71 | I48-E50 HydrophobicContact CG2-CG 4.47Å; I48-E50 PolarHBondContact O-N 2.84Å; I48-E50 VanDerWaalsContact O-N 3.15Å; E50-E52 PolarHBondContact O-N 2.88Å; E50-T53 VanDerWaalsContact CA-OG1 3.28Å; E50-T53 WeakPolarHBondContact CA-OG1 3.49Å; E50-T53 PolarHBondContact O-N 2.88Å; E50-I54 HydrophobicContact CB-CD1 3.9Å; E50-I54 HydrophobicContact CB-CG1 4.2Å; E50-I54 HydrophobicContact CG-CD1 4.19Å; E50-I54 WeakPolarHBondContact O-CB 3.3Å; E50-I54 PolarHBondContact O-N 2.98Å; E50-N66 PolarHBondContact N-OD1 2.82Å; E50-N66 PolarHBondContact OE2-OD1 2.77Å; E50-G70 VanDerWaalsContact CD-CA 3.49Å; E50-G70 WeakPolarHBondContact OE1-CA 3.4Å; E50-G70 VanDerWaalsContact OE2-CA 3.26Å; E50-G70 WeakPolarHBondContact OE2-CA 3.33Å; E50-Y71 HydrophobicContact CB-CD1 3.28Å; E50-Y71 HydrophobicContact CB-CE1 3.97Å; E50-Y71 HydrophobicContact CB-CG 3.93Å; E50-Y71 HydrophobicContact CG-CD1 3.9Å |
| 51 | C | 76.9 | Confident | 73.9 | Confident | 38 Ų | 38 | 93.9 Ų | 93.9 | 26% | 0.257 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -20.2 | 175 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | N49 C64 F65 N66 | N49-C51 PolarHBondContact O-N 2.96Å; N49-C51 WeakPolarHBondContact OD1-CB 3.14Å; N49-C51 PolarHBondContact OD1-N 2.97Å; C51-C64 WeakPolarHBondContact CA-SG 3.48Å; C51-C64 HydrophobicContact CB-CB 3.79Å; C51-C64 WeakPolarHBondContact CB-SG 3.22Å; C51-C64 WeakPolarHBondContact SG-CB 3.48Å; C51-C64 CovalentContact SG-SG 2.04Å; C51-C64 PolarHBondContact SG-SG 2.78Å; C51-F65 PolarHBondContact SG-N 2.74Å; C51-N66 PolarHBondContact SG-N 3.32Å; C51-N66 VanDerWaalsContact SG-N 3.45Å |
| 52 | E | 79.8 | Confident | 73.8 | Confident | 161 Ų | 161 | 88.5 Ų | 88.5 | 75% | 0.752 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -101 | -31.2 | 175.3 | -69.7 | 179.9 | -177 | 0 | 0 | 112.2 | N49 E50 | N49-E52 VanDerWaalsContact ND2-CD 3.26Å; N49-E52 PolarHBondContact ND2-OE1 3.3Å; N49-E52 PolarHBondContact O-N 2.73Å; E50-E52 PolarHBondContact O-N 2.88Å |
| 53 | T | 76.3 | Confident | 73.8 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -90.1 | -24.2 | -175.5 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | I48 N49 E50 | I48-T53 HydrophobicContact CG2-CG2 4.26Å; N49-T53 PolarHBondContact O-N 3.27Å; N49-T53 VanDerWaalsContact O-N 3.12Å; N49-T53 PolarHBondContact O-OG1 3.33Å; E50-T53 VanDerWaalsContact CA-OG1 3.28Å; E50-T53 WeakPolarHBondContact CA-OG1 3.49Å; E50-T53 PolarHBondContact O-N 2.88Å |
| 54 | I | 76.5 | Confident | 73.7 | Confident | 72 Ų | 72 | 85 Ų | 85 | 37% | 0.369 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -105.1 | 110.9 | 176.2 | -54.4 | -178.8 | 0 | 0 | 0 | 110.1 | E50 E56 A57 Y71 | E50-I54 HydrophobicContact CB-CD1 3.9Å; E50-I54 HydrophobicContact CB-CG1 4.2Å; E50-I54 HydrophobicContact CG-CD1 4.19Å; E50-I54 WeakPolarHBondContact O-CB 3.3Å; E50-I54 PolarHBondContact O-N 2.98Å; I54-E56 PolarHBondContact O-N 2.96Å; I54-A57 HydrophobicContact CB-CB 4.07Å; I54-A57 HydrophobicContact CG2-CB 4.16Å; I54-A57 PolarHBondContact O-N 3.02Å; I54-Y71 HydrophobicContact CD1-CE1 3.91Å |
| 55 | P | 62.1 | Low | 73.7 | Confident | 120 Ų | 120 | 82.8 Ų | 82.8 | 78% | 0.779 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 129.8 | 174.9 | 25.1 | -30 | 0 | 0 | 0 | 110.6 | ||
| 56 | E | 67.3 | Low | 73.6 | Confident | 185 Ų | 185 | 83.3 Ų | 83.3 | 86% | 0.864 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.9 | -171.6 | -58.3 | -159.5 | 153.4 | 0 | 0 | 114.4 | I54 C58 | I54-E56 PolarHBondContact O-N 2.96Å; E56-C58 PolarHBondContact O-N 2.93Å |
| 57 | A | 68.3 | Low | 73.5 | Confident | 16 Ų | 16 | 84.1 Ų | 84.1 | 13% | 0.132 | 44% | 0.443 | C | S | . | . | trans | -46.8 | -35.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I54 Y71 | I54-A57 HydrophobicContact CB-CB 4.07Å; I54-A57 HydrophobicContact CG2-CB 4.16Å; I54-A57 PolarHBondContact O-N 3.02Å; A57-Y71 HydrophobicContact CB-CD2 3.91Å; A57-Y71 HydrophobicContact CB-CE2 3.58Å; A57-Y71 WeakPolarHBondContact O-CE2 3.26Å; A57-Y71 PolarHBondContact O-OH 3.2Å; A57-Y71 VanDerWaalsContact O-OH 3.12Å | ||
| 58 | C | 71.3 | Confident | 73.3 | Confident | 18 Ų | 18 | 90.9 Ų | 90.9 | 12% | 0.122 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -112 | 129.6 | 177 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | E56 M62 C64 C73 | E56-C58 PolarHBondContact O-N 2.93Å; C58-M62 HydrophobicContact CB-CB 4.04Å; C58-C64 VanDerWaalsContact SG-CA 3.52Å; C58-C64 WeakPolarHBondContact SG-CB 3.44Å; C58-C73 WeakPolarHBondContact CA-SG 3.19Å; C58-C73 HydrophobicContact CB-CB 3.67Å; C58-C73 WeakPolarHBondContact CB-SG 3.02Å; C58-C73 WeakPolarHBondContact SG-CA 3.4Å; C58-C73 WeakPolarHBondContact SG-CB 3.33Å; C58-C73 CovalentContact SG-SG 2.01Å; C58-C73 PolarHBondContact SG-SG 3.26Å |
| 59 | K | 66.3 | Low | 72.8 | Confident | 194 Ų | 194 | 90.2 Ų | 90.2 | 84% | 0.843 | 47% | 0.472 | S | S | * | . | trans | -84.5 | 139.5 | 175.4 | -63.8 | -176.1 | 179.5 | 179.4 | 0 | 111.6 | ||||
| 60 | G | 66.8 | Low | 72.8 | Confident | 72 Ų | 72 | 88.9 Ų | 88.9 | 74% | 0.742 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 85.3 | -158 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M62 | G60-M62 PolarHBondContact O-N 2.77Š|
| 61 | E | 64.4 | Low | 72.7 | Confident | 173 Ų | 173 | 92.3 Ų | 92.3 | 81% | 0.808 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -79.1 | 34.6 | 180 | -61.7 | -168.8 | 164.5 | 0 | 0 | 113.7 | R76 | E61-R76 PolarHBondContact O-N 2.89Š|
| 62 | M | 69.8 | Low | 72.4 | Confident | 68 Ų | 68 | 95 Ų | 95 | 34% | 0.335 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 136.6 | -175.3 | -55.3 | -68.1 | -81.4 | 0 | 0 | 110.1 | C58 G60 C73 L74 P75 | C58-M62 HydrophobicContact CB-CB 4.04Å; G60-M62 PolarHBondContact O-N 2.77Å; M62-C73 HydrophobicContact CB-CB 4.07Å; M62-C73 HydrophobicContact CE-CB 4.44Å; M62-C73 VanDerWaalsContact CE-O 3.29Å; M62-C73 WeakPolarHBondContact CE-O 3.04Å; M62-L74 CarbonylContact C-O 3.17Å; M62-L74 WeakPolarHBondContact CA-O 3.25Å; M62-P75 HydrophobicContact CE-CB 4.43Å; M62-P75 VanDerWaalsContact SD-CA 3.5Å; M62-P75 HydrophobicContact SD-CB 3.71Å; M62-P75 HydrophobicContact SD-CG 4.42Å |
| 63 | K | 75.1 | Confident | 72.2 | Confident | 102 Ų | 102 | 89.3 Ų | 89.3 | 44% | 0.443 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.5 | 175.2 | -173.2 | 177 | 179 | -173.6 | 0 | 109.6 | F65 C73 L74 R76 | K63-F65 HydrophobicContact CB-CE2 3.89Å; K63-F65 HydrophobicContact CB-CZ 4.45Å; K63-F65 HydrophobicContact CD-CE2 4.16Å; K63-F65 HydrophobicContact CD-CZ 3.89Å; K63-F65 HydrophobicContact CG-CE2 3.95Å; K63-F65 HydrophobicContact CG-CZ 4.18Å; K63-F65 VanDerWaalsContact O-CD2 3.24Å; K63-F65 WeakPolarHBondContact O-CD2 3.18Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; K63-C73 WeakPolarHBondContact O-CA 3.49Å; K63-L74 PolarHBondContact N-O 2.69Å; K63-L74 PolarHBondContact O-N 2.92Å; K63-R76 HydrophobicContact CB-CG 4.23Å |
| 64 | C | 75 | Confident | 71.7 | Confident | 32 Ų | 32 | 88.8 Ų | 88.8 | 22% | 0.216 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 136.9 | 176 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | C51 C58 Y71 L72 | C51-C64 WeakPolarHBondContact CA-SG 3.48Å; C51-C64 HydrophobicContact CB-CB 3.79Å; C51-C64 WeakPolarHBondContact CB-SG 3.22Å; C51-C64 WeakPolarHBondContact SG-CB 3.48Å; C51-C64 CovalentContact SG-SG 2.04Å; C51-C64 PolarHBondContact SG-SG 2.78Å; C58-C64 VanDerWaalsContact SG-CA 3.52Å; C58-C64 WeakPolarHBondContact SG-CB 3.44Å; C64-Y71 WeakPolarHBondContact SG-CD2 3.45Å; C64-L72 CarbonylContact C-O 3.55Å; C64-L72 WeakPolarHBondContact CA-O 3.41Å |
| 65 | F | 76.7 | Confident | 70.9 | Confident | 88 Ų | 88 | 89.4 Ų | 89.4 | 39% | 0.386 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.5 | 173.6 | -66.1 | -95.2 | 0 | 0 | 0 | 109.1 | C51 K63 Y71 L72 L74 | C51-F65 PolarHBondContact SG-N 2.74Å; K63-F65 HydrophobicContact CB-CE2 3.89Å; K63-F65 HydrophobicContact CB-CZ 4.45Å; K63-F65 HydrophobicContact CD-CE2 4.16Å; K63-F65 HydrophobicContact CD-CZ 3.89Å; K63-F65 HydrophobicContact CG-CE2 3.95Å; K63-F65 HydrophobicContact CG-CZ 4.18Å; K63-F65 VanDerWaalsContact O-CD2 3.24Å; K63-F65 WeakPolarHBondContact O-CD2 3.18Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; F65-Y71 CarbonylContact O-C 3.5Å; F65-Y71 WeakPolarHBondContact O-CA 3.47Å; F65-L72 PolarHBondContact N-O 3.13Å; F65-L72 PolarHBondContact O-N 3.12Å; F65-L74 HydrophobicContact CD2-CB 4.15Å; F65-L74 HydrophobicContact CD2-CD1 3.94Å; F65-L74 HydrophobicContact CD2-CG 4.12Å; F65-L74 HydrophobicContact CE2-CB 3.81Å; F65-L74 HydrophobicContact CE2-CD1 3.92Å; F65-L74 HydrophobicContact CE2-CG 4.19Å |
| 66 | N | 71.9 | Confident | 70.5 | Confident | 63 Ų | 63 | 92.5 Ų | 92.5 | 34% | 0.337 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 139.4 | 176.9 | -163.8 | 45.4 | 0 | 0 | 0 | 111.3 | D47 I48 N49 E50 C51 | D47-N66 PolarHBondContact OD2-ND2 2.82Å; I48-N66 PolarHBondContact O-OD1 2.85Å; N49-N66 VanDerWaalsContact CA-OD1 3.29Å; N49-N66 WeakPolarHBondContact CA-OD1 3.45Å; N49-N66 WeakPolarHBondContact OD1-CB 3.47Å; N49-N66 PolarHBondContact OD1-OD1 2.84Å; E50-N66 PolarHBondContact N-OD1 2.82Å; E50-N66 PolarHBondContact OE2-OD1 2.77Å; C51-N66 PolarHBondContact SG-N 3.32Å; C51-N66 VanDerWaalsContact SG-N 3.45Å |
| 67 | H | 77.9 | Confident | 69.7 | Low | 121 Ų | 121 | 88.8 Ų | 88.8 | 56% | 0.56 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 162.8 | 179.3 | -162.4 | 61.5 | 0 | 0 | 0 | 110.7 | D47 G69 G70 | D47-H67 VanDerWaalsContact OD1-O 3.08Å; H67-G69 PolarHBondContact O-N 2.8Å; H67-G69 VanDerWaalsContact O-N 3.13Å; H67-G70 CarbonylContact C-O 3.57Å; H67-G70 WeakPolarHBondContact CA-O 3.26Å; H67-G70 VanDerWaalsContact CB-O 3.32Å; H67-G70 WeakPolarHBondContact CB-O 3.25Å; H67-G70 PolarHBondContact N-O 3.28Å; H67-G70 PolarHBondContact O-N 2.89Å |
| 68 | Y | 74.2 | Confident | 68.3 | Low | 184 Ų | 184 | 93 Ų | 93 | 72% | 0.722 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 115.7 | -179.6 | -75.1 | -74.8 | 0 | 0 | 0 | 111 | Y36 D47 | Y36-Y68 VanDerWaalsContact OH-C 3.29Å; D47-Y68 HydrophobicContact CB-CD1 4.03Å; D47-Y68 HydrophobicContact CB-CE1 4.39Å; D47-Y68 WeakPolarHBondContact OD1-CA 3.5Å |
| 69 | G | 70.7 | Confident | 66.9 | Low | 34 Ų | 34 | 97.5 Ų | 97.5 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 17 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y36 D47 H67 | Y36-G69 PolarHBondContact OH-N 2.59Å; Y36-G69 VanDerWaalsContact OH-N 3.16Å; D47-G69 PolarHBondContact OD1-N 3.02Å; H67-G69 PolarHBondContact O-N 2.8Å; H67-G69 VanDerWaalsContact O-N 3.13Å |
| 70 | G | 78.7 | Confident | 65.7 | Low | 19 Ų | 19 | 94.9 Ų | 94.9 | 20% | 0.196 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | -168.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E50 H67 | E50-G70 VanDerWaalsContact CD-CA 3.49Å; E50-G70 WeakPolarHBondContact OE1-CA 3.4Å; E50-G70 VanDerWaalsContact OE2-CA 3.26Å; E50-G70 WeakPolarHBondContact OE2-CA 3.33Å; H67-G70 CarbonylContact C-O 3.57Å; H67-G70 WeakPolarHBondContact CA-O 3.26Å; H67-G70 VanDerWaalsContact CB-O 3.32Å; H67-G70 WeakPolarHBondContact CB-O 3.25Å; H67-G70 PolarHBondContact N-O 3.28Å; H67-G70 PolarHBondContact O-N 2.89Å |
| 71 | Y | 81.1 | Confident | 64.1 | Low | 90 Ų | 90 | 99.3 Ų | 99.3 | 35% | 0.353 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.6 | -179.3 | 64.6 | -78.6 | 0 | 0 | 0 | 113 | E50 I54 A57 C64 F65 | E50-Y71 HydrophobicContact CB-CD1 3.28Å; E50-Y71 HydrophobicContact CB-CE1 3.97Å; E50-Y71 HydrophobicContact CB-CG 3.93Å; E50-Y71 HydrophobicContact CG-CD1 3.9Å; I54-Y71 HydrophobicContact CD1-CE1 3.91Å; A57-Y71 HydrophobicContact CB-CD2 3.91Å; A57-Y71 HydrophobicContact CB-CE2 3.58Å; A57-Y71 WeakPolarHBondContact O-CE2 3.26Å; A57-Y71 PolarHBondContact O-OH 3.2Å; A57-Y71 VanDerWaalsContact O-OH 3.12Å; C64-Y71 WeakPolarHBondContact SG-CD2 3.45Å; F65-Y71 CarbonylContact O-C 3.5Å; F65-Y71 WeakPolarHBondContact O-CA 3.47Å |
| 72 | L | 71.1 | Confident | 62.8 | Low | 94 Ų | 94 | 96.3 Ų | 96.3 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.6 | 179.8 | -166.3 | 74.6 | 0 | 0 | 0 | 111.2 | C64 F65 L74 | C64-L72 CarbonylContact C-O 3.55Å; C64-L72 WeakPolarHBondContact CA-O 3.41Å; F65-L72 PolarHBondContact N-O 3.13Å; F65-L72 PolarHBondContact O-N 3.12Å; L72-L74 HydrophobicContact CD2-CD1 4.07Å; L72-L74 HydrophobicContact CD2-CD2 3.84Å; L72-L74 HydrophobicContact CD2-CG 3.93Å; L72-L74 HydrophobicContact CG-CD2 4.25Å; L72-L74 HydrophobicContact CG-CG 4.26Å |
| 73 | C | 75.8 | Confident | 61.4 | Low | 42 Ų | 42 | 97.8 Ų | 97.8 | 28% | 0.284 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.7 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | C58 M62 K63 | C58-C73 WeakPolarHBondContact CA-SG 3.19Å; C58-C73 HydrophobicContact CB-CB 3.67Å; C58-C73 WeakPolarHBondContact CB-SG 3.02Å; C58-C73 WeakPolarHBondContact SG-CA 3.4Å; C58-C73 WeakPolarHBondContact SG-CB 3.33Å; C58-C73 CovalentContact SG-SG 2.01Å; C58-C73 PolarHBondContact SG-SG 3.26Å; M62-C73 HydrophobicContact CB-CB 4.07Å; M62-C73 HydrophobicContact CE-CB 4.44Å; M62-C73 VanDerWaalsContact CE-O 3.29Å; M62-C73 WeakPolarHBondContact CE-O 3.04Å; K63-C73 WeakPolarHBondContact O-CA 3.49Å |
| 74 | L | 65.4 | Low | 59.5 | Low | 78 Ų | 78 | 98.8 Ų | 98.8 | 41% | 0.408 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.2 | 178.9 | -62.9 | 174.7 | 0 | 0 | 0 | 112.2 | M62 K63 F65 L72 | M62-L74 CarbonylContact C-O 3.17Å; M62-L74 WeakPolarHBondContact CA-O 3.25Å; K63-L74 PolarHBondContact N-O 2.69Å; K63-L74 PolarHBondContact O-N 2.92Å; F65-L74 HydrophobicContact CD2-CB 4.15Å; F65-L74 HydrophobicContact CD2-CD1 3.94Å; F65-L74 HydrophobicContact CD2-CG 4.12Å; F65-L74 HydrophobicContact CE2-CB 3.81Å; F65-L74 HydrophobicContact CE2-CD1 3.92Å; F65-L74 HydrophobicContact CE2-CG 4.19Å; L72-L74 HydrophobicContact CD2-CD1 4.07Å; L72-L74 HydrophobicContact CD2-CD2 3.84Å; L72-L74 HydrophobicContact CD2-CG 3.93Å; L72-L74 HydrophobicContact CG-CD2 4.25Å; L72-L74 HydrophobicContact CG-CG 4.26Å |
| 75 | P | 58.2 | Low | 57.7 | Low | 85 Ų | 85 | 105 Ų | 105 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.3 | -179 | 27.6 | -31.8 | 0 | 0 | 0 | 111.6 | M62 S77 | M62-P75 HydrophobicContact CE-CB 4.43Å; M62-P75 VanDerWaalsContact SD-CA 3.5Å; M62-P75 HydrophobicContact SD-CB 3.71Å; M62-P75 HydrophobicContact SD-CG 4.42Å; P75-S77 PolarHBondContact O-N 2.77Å |
| 76 | R | 55 | Low | 56.4 | Low | 184 Ų | 184 | 106.1 Ų | 106.1 | 69% | 0.694 | 62% | 0.618 | S | S | * | * | trans | -75 | 85.1 | 174.2 | -78.3 | -169.8 | 164.8 | 115.1 | -4.5 | 111.1 | E61 K63 A78 | E61-R76 PolarHBondContact O-N 2.89Å; K63-R76 HydrophobicContact CB-CG 4.23Å; R76-A78 PolarHBondContact O-N 2.86Å | ||
| 77 | S | 51.2 | Low | 54.6 | Low | 108 Ų | 108 | 108.6 Ų | 108.6 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | trans | -82 | 109.8 | 164.6 | 52.8 | 0 | 0 | 0 | 0 | 110 | P75 | P75-S77 PolarHBondContact O-N 2.77Š| ||
| 78 | A | 38.6 | Very low | 52.3 | Low | 104 Ų | 104 | 108.2 Ų | 108.2 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | trans | -71.8 | 126.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R76 | R76-A78 PolarHBondContact O-N 2.86Š| ||
| 79 | S | 42.1 | Very low | 50.5 | Low | 113 Ų | 113 | 108.2 Ų | 108.2 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | trans | -106.6 | 158 | 161.4 | -71.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 80 | V | 39.3 | Very low | 49.3 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | trans | 107.5 | 105.2 | 160.2 | -170.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 81 | I | 33.4 | Very low | 47 | Very low | 165 Ų | 165 | 114.8 Ų | 114.8 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | trans | -146.3 | 160.7 | 146.1 | -17.4 | 177 | 0 | 0 | 0 | 107.9 | ||||
| 82 | P | 37.9 | Very low | 44.6 | Very low | 110 Ų | 110 | 117 Ų | 117 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | -116.5 | 174.6 | -117.6 | 26.5 | -2.3 | 0 | 0 | 0 | 114.1 | |||||
| 83 | A | 41 | Very low | 42.8 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | -67.4 | 147.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 84 | P | 35.4 | Very low | 40.8 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -105.4 | 146.6 | 157.4 | 14.5 | 5.1 | 0 | 0 | 0 | 113 | ||||
| 85 | D | 35.6 | Very low | 39.2 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -70.9 | 168.8 | 179.9 | -88.7 | -40.5 | 0 | 0 | 0 | 115.2 | ||||
| 86 | P | 50.4 | Low | 38.2 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -95 | 163.9 | -161.3 | 37.3 | -33.7 | 0 | 0 | 0 | 114.4 | ||||
| 87 | P | 32.8 | Very low | 37.3 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -130.3 | 119.8 | 153.3 | 29.2 | -11.1 | 0 | 0 | 0 | 114.4 | ||||
| 88 | S | 31.1 | Very low | 36.6 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | 26.5 | 124.5 | 129.7 | 55.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 89 | Q | 36.2 | Very low | 37 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -49.6 | 161.6 | 144.6 | -77.3 | -169.8 | -14.9 | 0 | 0 | 112.3 | ||||
| 90 | P | 44.6 | Very low | 37.5 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | cis | -155.8 | 178.7 | 47.6 | 40.2 | -17 | 0 | 0 | 0 | 119.3 | ||||
| 91 | G | 31.6 | Very low | 38.2 | Very low | 58 Ų | 58 | 132.2 Ų | 132.2 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | trans | 124.9 | 103.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 92 | T | 29.6 | Very low | 39.2 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | 70.2 | 136.6 | 97.9 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 93 | N | 33.4 | Very low | 40.2 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -178.8 | 154.1 | -0.3 | -130.6 | -15 | 0 | 0 | 0 | 107.1 | ||||
| 94 | L | 33.8 | Very low | 41.7 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | 63.5 | 144.8 | 156.9 | -77.3 | 84.5 | 0 | 0 | 0 | 117.7 | ||||
| 95 | E | 32.6 | Very low | 43.6 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | cis | -165.3 | 129.9 | 16.9 | -117.2 | 160 | 169.7 | 0 | 0 | 106.4 | ||||
| 96 | S | 37.7 | Very low | 45.7 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | 48.2 | 99 | 104.7 | 170.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 97 | T | 35.8 | Very low | 47.1 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | 157.4 | 118.4 | 110.1 | 40.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 98 | A | 36.5 | Very low | 49.3 | Very low | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -157.6 | 127.9 | 140.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | E100 | A98-E100 PolarHBondContact O-N 3.37Š| ||
| 99 | R | 45.4 | Very low | 51.8 | Low | 254 Ų | 254 | 120.4 Ų | 120.4 | 96% | 0.958 | 67% | 0.668 | S | S | * | * | trans | -91.7 | 92.3 | -169.8 | -158.5 | 178.4 | -167 | 174.7 | 1.5 | 106.9 | ||||
| 100 | E | 54 | Low | 54.1 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | trans | -75.3 | 147.8 | 172.2 | -78.2 | -72.8 | 134.3 | 0 | 0 | 110.2 | A98 | A98-E100 PolarHBondContact O-N 3.37Š| ||
| 101 | P | 53.9 | Low | 55.8 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 71% | 0.708 | 62% | 0.624 | S | S | * | * | trans | -62.6 | 137 | -175.9 | 13.6 | -10.3 | 0 | 0 | 0 | 110.5 | N103 | P101-N103 PolarHBondContact O-N 2.86Š| ||
| 102 | F | 55 | Low | 58.2 | Low | 210 Ų | 210 | 115.6 Ų | 115.6 | 92% | 0.921 | 63% | 0.625 | S | S | * | * | trans | -56.4 | 105.5 | 171.8 | -98.2 | -94 | 0 | 0 | 0 | 108.8 | P104 | F102-P104 WeakPolarHBondContact O-CD 3.41Š| ||
| 103 | N | 58.8 | Low | 60.6 | Low | 78 Ų | 78 | 112.6 Ų | 112.6 | 42% | 0.417 | 62% | 0.622 | S | S | . | * | trans | -70.4 | 117.9 | 164.9 | -174.2 | -1 | 0 | 0 | 0 | 107.1 | P101 C105 Y109 P111 | P101-N103 PolarHBondContact O-N 2.86Å; N103-C105 PolarHBondContact O-N 2.83Å; N103-C105 PolarHBondContact OD1-N 3.3Å; N103-Y109 PolarHBondContact ND2-O 2.04Å; N103-P111 VanDerWaalsContact OD1-CD 3.27Å; N103-P111 WeakPolarHBondContact OD1-CD 3.36Å; N103-P111 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 104 | P | 71.6 | Confident | 62.6 | Low | 112 Ų | 112 | 115.2 Ų | 115.2 | 73% | 0.727 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -72.6 | -3.4 | -178.6 | 29 | -34.3 | 0 | 0 | 0 | 113.6 | F102 P111 | F102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-P111 HydrophobicContact CG-CB 4.29Å |
| 105 | C | 74.6 | Confident | 64.7 | Low | 17 Ų | 17 | 112.4 Ų | 112.4 | 12% | 0.115 | 63% | 0.626 | C | S | . | * | S | Bend | trans | -95 | 151.7 | -180 | -68 | 0 | 0 | 0 | 0 | 113 | N103 C116 | N103-C105 PolarHBondContact O-N 2.83Å; N103-C105 PolarHBondContact OD1-N 3.3Å; C105-C116 WeakPolarHBondContact CA-SG 3.05Å; C105-C116 HydrophobicContact CB-CB 3.75Å; C105-C116 WeakPolarHBondContact CB-SG 3.47Å; C105-C116 WeakPolarHBondContact SG-CA 3.34Å; C105-C116 WeakPolarHBondContact SG-CB 3.23Å; C105-C116 CovalentContact SG-SG 2.04Å; C105-C116 PolarHBondContact SG-SG 2.94Å |
| 106 | P | 80.3 | Confident | 67.2 | Low | 83 Ų | 83 | 107.6 Ų | 107.6 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -55 | 157.6 | 172.1 | -23.2 | 33.7 | 0 | 0 | 0 | 112.7 | G108 Y109 | P106-G108 PolarHBondContact O-N 3.47Å; P106-Y109 HydrophobicContact CB-CD2 4.11Å; P106-Y109 WeakPolarHBondContact O-CB 3.26Å; P106-Y109 PolarHBondContact O-N 2.87Å |
| 107 | L | 79.1 | Confident | 69.6 | Low | 170 Ų | 170 | 105.9 Ų | 105.9 | 89% | 0.89 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 135.1 | 174.6 | -67.8 | 170.5 | 0 | 0 | 0 | 110.3 | ||
| 108 | G | 79.4 | Confident | 72.1 | Confident | 23 Ų | 23 | 101.4 Ų | 101.4 | 24% | 0.237 | 57% | 0.566 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 85.4 | 4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P106 V119 | P106-G108 PolarHBondContact O-N 3.47Å; G108-V119 WeakPolarHBondContact O-CB 3.3Å; G108-V119 WeakPolarHBondContact O-CG2 3.18Å; G108-V119 PolarHBondContact O-N 3.35Å |
| 109 | Y | 84.9 | Confident | 74.7 | Confident | 59 Ų | 59 | 97.7 Ų | 97.7 | 23% | 0.231 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.2 | 177.6 | -66.2 | -101.8 | 0 | 0 | 0 | 112 | N103 P106 C116 V117 D118 P139 G140 | N103-Y109 PolarHBondContact ND2-O 2.04Å; P106-Y109 HydrophobicContact CB-CD2 4.11Å; P106-Y109 WeakPolarHBondContact O-CB 3.26Å; P106-Y109 PolarHBondContact O-N 2.87Å; Y109-C116 HydrophobicContact CD1-CB 4.24Å; Y109-C116 HydrophobicContact CG-CB 4.44Å; Y109-V117 CarbonylContact C-O 3.56Å; Y109-V117 VanDerWaalsContact CA-O 3.31Å; Y109-V117 WeakPolarHBondContact CA-O 3.43Å; Y109-D118 HydrophobicContact CD1-CB 4.26Å; Y109-D118 HydrophobicContact CE1-CB 3.96Å; Y109-P139 WeakPolarHBondContact OH-CB 3.38Å; Y109-G140 PolarHBondContact OH-N 2.88Å |
| 110 | E | 84.4 | Confident | 76.7 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.6 | 177.5 | 52.6 | -172.8 | 142.1 | 0 | 0 | 112.1 | Q112 V117 V119 R124 | E110-Q112 PolarHBondContact O-N 3.12Å; E110-V117 PolarHBondContact N-O 2.83Å; E110-V117 PolarHBondContact O-N 3.43Å; E110-V119 HydrophobicContact CB-CG2 3.82Å; E110-V119 HydrophobicContact CG-CG2 3.62Å; E110-R124 IonicContact OE1-CZ 3.93Å; E110-R124 IonicContact OE1-NH1 2.72Å; E110-R124 PolarHBondContact OE1-NH1 2.89Å; E110-R124 IonicContact OE2-NH1 2.81Å; E110-R124 PolarHBondContact OE2-NH1 2.87Å |
| 111 | P | 80.1 | Confident | 78.5 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116 | -173 | 30.6 | -29.3 | 0 | 0 | 0 | 110.3 | N103 P104 | N103-P111 VanDerWaalsContact OD1-CD 3.27Å; N103-P111 WeakPolarHBondContact OD1-CD 3.36Å; N103-P111 WeakPolarHBondContact OD1-CG 3.48Å; P104-P111 HydrophobicContact CG-CB 4.29Å |
| 112 | Q | 82.3 | Confident | 80.3 | Confident | 131 Ų | 131 | 77 Ų | 77 | 61% | 0.612 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 90.5 | 172 | -166.4 | 173.1 | 9.2 | 0 | 0 | 108.9 | E110 S115 V117 | E110-Q112 PolarHBondContact O-N 3.12Å; Q112-S115 CarbonylContact C-O 3.51Å; Q112-S115 PolarHBondContact N-O 3.46Å; Q112-S115 PolarHBondContact O-N 3.41Å; Q112-S115 PolarHBondContact O-OG 2.83Å; Q112-V117 HydrophobicContact CB-CG2 3.99Å |
| 113 | G | 79.4 | Confident | 82 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 77% | 0.773 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | -126.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S115 | G113-S115 VanDerWaalsContact C-N 3.35Š|
| 114 | D | 75.4 | Confident | 83.4 | Confident | 186 Ų | 186 | 76.2 Ų | 76.2 | 100% | 0.995 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 6.3 | 175.1 | -80.4 | -18.3 | 0 | 0 | 0 | 112.9 | ||
| 115 | S | 78.3 | Confident | 83.9 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.5 | -179.1 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | Q112 G113 | Q112-S115 CarbonylContact C-O 3.51Å; Q112-S115 PolarHBondContact N-O 3.46Å; Q112-S115 PolarHBondContact O-N 3.41Å; Q112-S115 PolarHBondContact O-OG 2.83Å; G113-S115 VanDerWaalsContact C-N 3.35Å |
| 116 | C | 85.1 | Confident | 84.4 | Confident | 58 Ų | 58 | 81.6 Ų | 81.6 | 39% | 0.392 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.6 | 173.1 | -62.1 | 0 | 0 | 0 | 0 | 109.1 | C105 Y109 | C105-C116 WeakPolarHBondContact CA-SG 3.05Å; C105-C116 HydrophobicContact CB-CB 3.75Å; C105-C116 WeakPolarHBondContact CB-SG 3.47Å; C105-C116 WeakPolarHBondContact SG-CA 3.34Å; C105-C116 WeakPolarHBondContact SG-CB 3.23Å; C105-C116 CovalentContact SG-SG 2.04Å; C105-C116 PolarHBondContact SG-SG 2.94Å; Y109-C116 HydrophobicContact CD1-CB 4.24Å; Y109-C116 HydrophobicContact CG-CB 4.44Å |
| 117 | V | 87.6 | Confident | 84.6 | Confident | 59 Ų | 59 | 79.8 Ų | 79.8 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | Y109 E110 Q112 V119 | Y109-V117 CarbonylContact C-O 3.56Å; Y109-V117 VanDerWaalsContact CA-O 3.31Å; Y109-V117 WeakPolarHBondContact CA-O 3.43Å; E110-V117 PolarHBondContact N-O 2.83Å; E110-V117 PolarHBondContact O-N 3.43Å; Q112-V117 HydrophobicContact CB-CG2 3.99Å; V117-V119 PolarHBondContact O-N 2.81Å |
| 118 | D | 88.9 | Confident | 85 | Confident | 41 Ų | 41 | 78.8 Ų | 78.8 | 22% | 0.219 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 128.5 | 177.6 | -176.6 | 54.9 | 0 | 0 | 0 | 110.4 | Y109 N120 N137 P139 G140 | Y109-D118 HydrophobicContact CD1-CB 4.26Å; Y109-D118 HydrophobicContact CE1-CB 3.96Å; D118-N120 PolarHBondContact O-N 2.79Å; D118-N137 PolarHBondContact OD2-ND2 2.8Å; D118-N137 PolarHBondContact OD2-OD1 2.7Å; D118-P139 WeakPolarHBondContact OD1-CA 3.09Å; D118-G140 PolarHBondContact OD1-N 2.95Å |
| 119 | V | 89.3 | Confident | 85.3 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 10% | 0.097 | 43% | 0.427 | C | S | . | . | trans | -74.2 | 120.5 | 174.4 | 177.6 | 0 | 0 | 0 | 0 | 106.7 | G108 E110 V117 E121 N137 | G108-V119 WeakPolarHBondContact O-CB 3.3Å; G108-V119 WeakPolarHBondContact O-CG2 3.18Å; G108-V119 PolarHBondContact O-N 3.35Å; E110-V119 HydrophobicContact CB-CG2 3.82Å; E110-V119 HydrophobicContact CG-CG2 3.62Å; V117-V119 PolarHBondContact O-N 2.81Å; V119-E121 HydrophobicContact CG1-CG 4.3Å; V119-E121 VanDerWaalsContact O-CD 3.24Å; V119-E121 PolarHBondContact O-N 2.76Å; V119-E121 VanDerWaalsContact O-N 3.15Å; V119-N137 PolarHBondContact O-OD1 2.88Å | ||
| 120 | N | 89 | Confident | 85.4 | Confident | 37 Ų | 37 | 79.8 Ų | 79.8 | 20% | 0.198 | 44% | 0.435 | C | S | . | . | trans | -83.6 | 91 | 173.7 | -171.3 | -17.3 | 0 | 0 | 0 | 109.9 | D118 C122 E123 R124 N137 | D118-N120 PolarHBondContact O-N 2.79Å; N120-C122 PolarHBondContact O-N 2.88Å; N120-C122 WeakPolarHBondContact OD1-CB 3.43Å; N120-C122 PolarHBondContact OD1-N 2.91Å; N120-E123 HydrophobicContact CB-CB 4.24Å; N120-E123 HydrophobicContact CB-CG 4.48Å; N120-E123 VanDerWaalsContact ND2-CG 3.3Å; N120-E123 WeakPolarHBondContact ND2-CG 3.31Å; N120-E123 PolarHBondContact ND2-OE1 3.29Å; N120-E123 VanDerWaalsContact ND2-OE1 3.12Å; N120-E123 PolarHBondContact ND2-OE2 2.9Å; N120-E123 PolarHBondContact O-N 2.97Å; N120-E123 PolarHBondContact OD1-N 3.34Å; N120-R124 WeakPolarHBondContact O-CG 3.27Å; N120-R124 PolarHBondContact O-N 3.07Å; N120-N137 WeakPolarHBondContact OD1-CB 3.32Å | ||
| 121 | E | 91.8 | Very high | 85.4 | Confident | 18 Ų | 18 | 82.7 Ų | 82.7 | 8% | 0.084 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.4 | -178.3 | -57.2 | 91.4 | 164.1 | 0 | 0 | 112.3 | V119 D125 E126 H127 N137 F142 | V119-E121 HydrophobicContact CG1-CG 4.3Å; V119-E121 VanDerWaalsContact O-CD 3.24Å; V119-E121 PolarHBondContact O-N 2.76Å; V119-E121 VanDerWaalsContact O-N 3.15Å; E121-D125 PolarHBondContact O-N 3.06Å; E121-E126 HydrophobicContact CB-CB 4.49Å; E121-E126 PolarHBondContact O-N 3.19Å; E121-H127 HydrophobicContact CB-CB 4.48Å; E121-H127 PolarHBondContact O-CD2 2.93Å; E121-N137 PolarHBondContact OE2-OD1 2.82Å; E121-N137 VanDerWaalsContact OE2-OD1 3.12Å; E121-F142 HydrophobicContact CB-CB 4.24Å; E121-F142 HydrophobicContact CB-CD1 3.92Å; E121-F142 HydrophobicContact CB-CG 4.27Å; E121-F142 HydrophobicContact CG-CD1 3.93Å |
| 122 | C | 91.3 | Very high | 85.6 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 24% | 0.243 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -33.8 | 176.9 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | N120 C135 I136 N137 | N120-C122 PolarHBondContact O-N 2.88Å; N120-C122 WeakPolarHBondContact OD1-CB 3.43Å; N120-C122 PolarHBondContact OD1-N 2.91Å; C122-C135 WeakPolarHBondContact CA-SG 3.4Å; C122-C135 HydrophobicContact CB-CB 3.75Å; C122-C135 WeakPolarHBondContact CB-SG 3.36Å; C122-C135 WeakPolarHBondContact SG-CB 3.47Å; C122-C135 CovalentContact SG-SG 2.04Å; C122-C135 PolarHBondContact SG-SG 3.22Å; C122-I136 VanDerWaalsContact SG-C 3.57Å; C122-I136 PolarHBondContact SG-N 2.91Å; C122-N137 PolarHBondContact SG-N 2.98Å |
| 123 | E | 89.9 | Confident | 85.9 | Confident | 165 Ų | 165 | 76.7 Ų | 76.7 | 77% | 0.771 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -26.7 | 176.2 | -77.8 | 176.9 | -172.2 | 0 | 0 | 112.3 | N120 | N120-E123 HydrophobicContact CB-CB 4.24Å; N120-E123 HydrophobicContact CB-CG 4.48Å; N120-E123 VanDerWaalsContact ND2-CG 3.3Å; N120-E123 WeakPolarHBondContact ND2-CG 3.31Å; N120-E123 PolarHBondContact ND2-OE1 3.29Å; N120-E123 VanDerWaalsContact ND2-OE1 3.12Å; N120-E123 PolarHBondContact ND2-OE2 2.9Å; N120-E123 PolarHBondContact O-N 2.97Å; N120-E123 PolarHBondContact OD1-N 3.34Å |
| 124 | R | 87.8 | Confident | 86.4 | Confident | 107 Ų | 107 | 78.9 Ų | 78.9 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -4.3 | -178.3 | -65 | 175.7 | 62 | 141.8 | -1.3 | 113.7 | E110 N120 E126 | E110-R124 IonicContact OE1-CZ 3.93Å; E110-R124 IonicContact OE1-NH1 2.72Å; E110-R124 PolarHBondContact OE1-NH1 2.89Å; E110-R124 IonicContact OE2-NH1 2.81Å; E110-R124 PolarHBondContact OE2-NH1 2.87Å; N120-R124 WeakPolarHBondContact O-CG 3.27Å; N120-R124 PolarHBondContact O-N 3.07Å; R124-E126 HydrophobicContact CB-CB 4.29Å; R124-E126 HydrophobicContact CB-CG 3.98Å; R124-E126 IonicContact CZ-OE1 2.78Å; R124-E126 IonicContact CZ-OE2 3.97Å; R124-E126 IonicContact NE-OE1 2.78Å; R124-E126 PolarHBondContact NE-OE1 2.9Å; R124-E126 VanDerWaalsContact NE-OE1 3.12Å; R124-E126 IonicContact NE-OE2 3.5Å; R124-E126 PolarHBondContact NE-OE2 2.99Å; R124-E126 IonicContact NH2-OE1 2.66Å; R124-E126 PolarHBondContact NH2-OE1 2.66Å; R124-E126 IonicContact NH2-OE2 3.6Å; R124-E126 PolarHBondContact O-N 2.85Å |
| 125 | D | 82.8 | Confident | 87.2 | Confident | 133 Ų | 133 | 71.1 Ų | 71.1 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29.1 | -174.1 | -153.2 | 28.6 | 0 | 0 | 0 | 112 | E121 H127 | E121-D125 PolarHBondContact O-N 3.06Å; D125-H127 PolarHBondContact O-N 3.29Å; D125-H127 IonicContact OD1-CE1 3.44Å; D125-H127 IonicContact OD1-NE2 3.85Å |
| 126 | E | 85.4 | Confident | 87.9 | Confident | 109 Ų | 109 | 70.8 Ų | 70.8 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | trans | -99.3 | 41.9 | -178.9 | -72 | 177.4 | -164.8 | 0 | 0 | 110.4 | E121 R124 | E121-E126 HydrophobicContact CB-CB 4.49Å; E121-E126 PolarHBondContact O-N 3.19Å; R124-E126 HydrophobicContact CB-CB 4.29Å; R124-E126 HydrophobicContact CB-CG 3.98Å; R124-E126 IonicContact CZ-OE1 2.78Å; R124-E126 IonicContact CZ-OE2 3.97Å; R124-E126 IonicContact NE-OE1 2.78Å; R124-E126 PolarHBondContact NE-OE1 2.9Å; R124-E126 VanDerWaalsContact NE-OE1 3.12Å; R124-E126 IonicContact NE-OE2 3.5Å; R124-E126 PolarHBondContact NE-OE2 2.99Å; R124-E126 IonicContact NH2-OE1 2.66Å; R124-E126 PolarHBondContact NH2-OE1 2.66Å; R124-E126 IonicContact NH2-OE2 3.6Å; R124-E126 PolarHBondContact O-N 2.85Å | ||
| 127 | H | 85.2 | Confident | 88.2 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 21% | 0.208 | 37% | 0.367 | C | S | . | . | trans | -128.2 | 151.6 | -177.3 | 63.9 | 61.5 | 0 | 0 | 0 | 113.4 | E121 D125 C129 C135 F142 | E121-H127 HydrophobicContact CB-CB 4.48Å; E121-H127 PolarHBondContact O-CD2 2.93Å; D125-H127 PolarHBondContact O-N 3.29Å; D125-H127 IonicContact OD1-CE1 3.44Å; D125-H127 IonicContact OD1-NE2 3.85Å; H127-C129 VanDerWaalsContact C-N 3.33Å; H127-C129 PolarHBondContact ND1-N 3.27Å; H127-C129 PolarHBondContact O-N 3.32Å; H127-C135 PolarHBondContact CD2-SG 2.04Å; H127-F142 HydrophobicContact CB-CD1 4.41Å; H127-F142 HydrophobicContact CB-CD2 3.78Å; H127-F142 HydrophobicContact CB-CE1 4.35Å; H127-F142 HydrophobicContact CB-CE2 3.69Å; H127-F142 HydrophobicContact CB-CG 4.15Å; H127-F142 HydrophobicContact CB-CZ 4Å | ||
| 128 | D | 86.4 | Confident | 88.4 | Confident | 149 Ų | 149 | 69.7 Ų | 69.7 | 80% | 0.797 | 36% | 0.364 | S | S | * | . | trans | -94.1 | 19.3 | 177.5 | -64.7 | -35.1 | 0 | 0 | 0 | 113.3 | F142 | D128-F142 HydrophobicContact CB-CZ 4.48Š| ||
| 129 | C | 86.1 | Confident | 88.4 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | trans | -64.6 | 137.3 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | H127 Q133 C144 | H127-C129 VanDerWaalsContact C-N 3.33Å; H127-C129 PolarHBondContact ND1-N 3.27Å; H127-C129 PolarHBondContact O-N 3.32Å; C129-Q133 HydrophobicContact CB-CB 4.46Å; C129-C144 WeakPolarHBondContact CA-SG 3.41Å; C129-C144 HydrophobicContact CB-CB 3.75Å; C129-C144 WeakPolarHBondContact CB-SG 3.41Å; C129-C144 WeakPolarHBondContact SG-CB 3.38Å; C129-C144 CovalentContact SG-SG 2.03Å; C129-C144 PolarHBondContact SG-SG 3.17Å | ||
| 130 | Q | 86.6 | Confident | 88.2 | Confident | 88 Ų | 88 | 73.4 Ų | 73.4 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | trans | -68.5 | 153.6 | 174.6 | -69.8 | -67.2 | -47.3 | 0 | 0 | 111.1 | S132 Q133 T155 | Q130-S132 PolarHBondContact O-N 3.17Å; Q130-Q133 HydrophobicContact CB-CG 4.3Å; Q130-Q133 WeakPolarHBondContact O-CB 3.45Å; Q130-Q133 PolarHBondContact O-N 3.39Å; Q130-T155 WeakPolarHBondContact CG-O 3.21Å | ||
| 131 | P | 85.1 | Confident | 88.2 | Confident | 133 Ų | 133 | 73.8 Ų | 73.8 | 86% | 0.864 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.7 | -179.7 | -26.3 | 34.6 | 0 | 0 | 0 | 114.9 | Q133 | P131-Q133 VanDerWaalsContact C-N 3.35Š|
| 132 | S | 83.6 | Confident | 88.1 | Confident | 49 Ų | 49 | 76 Ų | 76 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.6 | 176.8 | 71.6 | 0 | 0 | 0 | 0 | 114 | Q130 P147 C157 | Q130-S132 PolarHBondContact O-N 3.17Å; S132-P147 WeakPolarHBondContact O-CD 3.46Å; S132-C157 PolarHBondContact O-SG 3.29Å; S132-C157 PolarHBondContact OG-N 3.47Å |
| 133 | Q | 88.9 | Confident | 88.1 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 12% | 0.117 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -111.1 | 148.3 | -176.8 | -67.6 | 169.7 | 12.6 | 0 | 0 | 110.4 | C129 Q130 P131 C144 Q145 T155 C157 | C129-Q133 HydrophobicContact CB-CB 4.46Å; Q130-Q133 HydrophobicContact CB-CG 4.3Å; Q130-Q133 WeakPolarHBondContact O-CB 3.45Å; Q130-Q133 PolarHBondContact O-N 3.39Å; P131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-C144 HydrophobicContact CB-CB 4.16Å; Q133-Q145 CarbonylContact C-O 3.27Å; Q133-Q145 WeakPolarHBondContact CA-O 3.34Å; Q133-T155 PolarHBondContact NE2-O 3.4Å; Q133-C157 WeakPolarHBondContact CG-SG 3.47Å |
| 134 | Q | 90.7 | Very high | 88 | Confident | 120 Ų | 120 | 70.3 Ų | 70.3 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.2 | 171.2 | -170.8 | 171.6 | 16.7 | 0 | 0 | 109.6 | Q145 | Q134-Q145 PolarHBondContact N-O 3.46Å; Q134-Q145 PolarHBondContact O-N 3.05Å |
| 135 | C | 91.5 | Very high | 88.2 | Confident | 24 Ų | 24 | 70 Ų | 70 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.5 | 170.3 | -175 | 0 | 0 | 0 | 0 | 109.5 | C122 H127 | C122-C135 WeakPolarHBondContact CA-SG 3.4Å; C122-C135 HydrophobicContact CB-CB 3.75Å; C122-C135 WeakPolarHBondContact CB-SG 3.36Å; C122-C135 WeakPolarHBondContact SG-CB 3.47Å; C122-C135 CovalentContact SG-SG 2.04Å; C122-C135 PolarHBondContact SG-SG 3.22Å; H127-C135 PolarHBondContact CD2-SG 2.04Å |
| 136 | I | 92.6 | Very high | 88.6 | Confident | 59 Ų | 59 | 65 Ų | 65 | 30% | 0.303 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.1 | 174.3 | -59.7 | 173.2 | 0 | 0 | 0 | 107.2 | C122 T143 Q145 | C122-I136 VanDerWaalsContact SG-C 3.57Å; C122-I136 PolarHBondContact SG-N 2.91Å; I136-T143 HydrophobicContact CB-CG2 3.83Å; I136-T143 HydrophobicContact CG2-CG2 4.24Å; I136-T143 PolarHBondContact N-O 3.49Å; I136-T143 PolarHBondContact O-N 3.07Å; I136-Q145 HydrophobicContact CD1-CB 4Å; I136-Q145 VanDerWaalsContact CD1-CD 3.47Å; I136-Q145 HydrophobicContact CD1-CG 3.89Å |
| 137 | N | 92.1 | Very high | 88.9 | Confident | 46 Ų | 46 | 62 Ų | 62 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 138.2 | 176.7 | -176.4 | 31.1 | 0 | 0 | 0 | 110.6 | D118 V119 N120 E121 C122 A141 | D118-N137 PolarHBondContact OD2-ND2 2.8Å; D118-N137 PolarHBondContact OD2-OD1 2.7Å; V119-N137 PolarHBondContact O-OD1 2.88Å; N120-N137 WeakPolarHBondContact OD1-CB 3.32Å; E121-N137 PolarHBondContact OE2-OD1 2.82Å; E121-N137 VanDerWaalsContact OE2-OD1 3.12Å; C122-N137 PolarHBondContact SG-N 2.98Å; N137-A141 PolarHBondContact OD1-O 3.4Å |
| 138 | T | 90.6 | Very high | 89.1 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.1 | 178 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | G140 A141 T143 | T138-G140 PolarHBondContact O-N 2.76Å; T138-A141 CarbonylContact C-O 3.57Å; T138-A141 VanDerWaalsContact C-O 3.27Å; T138-A141 VanDerWaalsContact CA-O 3.28Å; T138-A141 WeakPolarHBondContact CA-O 3.37Å; T138-A141 WeakPolarHBondContact CB-O 3.43Å; T138-A141 PolarHBondContact N-O 3.35Å; T138-A141 CarbonylContact O-C 3.52Å; T138-A141 PolarHBondContact O-N 2.99Å; T138-A141 VanDerWaalsContact OG1-C 3.31Å; T138-A141 PolarHBondContact OG1-O 2.83Å; T138-T143 HydrophobicContact CG2-CG2 4.02Å |
| 139 | P | 90.1 | Very high | 89.2 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 73% | 0.727 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 108.3 | -177.6 | -26.3 | 35.4 | 0 | 0 | 0 | 112.9 | Y109 D118 | Y109-P139 WeakPolarHBondContact OH-CB 3.38Å; D118-P139 WeakPolarHBondContact OD1-CA 3.09Å |
| 140 | G | 85.3 | Confident | 89.5 | Confident | 22 Ų | 22 | 65 Ų | 65 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y109 D118 T138 | Y109-G140 PolarHBondContact OH-N 2.88Å; D118-G140 PolarHBondContact OD1-N 2.95Å; T138-G140 PolarHBondContact O-N 2.76Å |
| 141 | A | 89.1 | Confident | 89.7 | Confident | 45 Ų | 45 | 67 Ų | 67 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N137 T138 | N137-A141 PolarHBondContact OD1-O 3.4Å; T138-A141 CarbonylContact C-O 3.57Å; T138-A141 VanDerWaalsContact C-O 3.27Å; T138-A141 VanDerWaalsContact CA-O 3.28Å; T138-A141 WeakPolarHBondContact CA-O 3.37Å; T138-A141 WeakPolarHBondContact CB-O 3.43Å; T138-A141 PolarHBondContact N-O 3.35Å; T138-A141 CarbonylContact O-C 3.52Å; T138-A141 PolarHBondContact O-N 2.99Å; T138-A141 VanDerWaalsContact OG1-C 3.31Å; T138-A141 PolarHBondContact OG1-O 2.83Å |
| 142 | F | 89.9 | Confident | 89.9 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 29% | 0.285 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 160.2 | 167.7 | 66.5 | -81.2 | 0 | 0 | 0 | 112 | E121 H127 D128 | E121-F142 HydrophobicContact CB-CB 4.24Å; E121-F142 HydrophobicContact CB-CD1 3.92Å; E121-F142 HydrophobicContact CB-CG 4.27Å; E121-F142 HydrophobicContact CG-CD1 3.93Å; H127-F142 HydrophobicContact CB-CD1 4.41Å; H127-F142 HydrophobicContact CB-CD2 3.78Å; H127-F142 HydrophobicContact CB-CE1 4.35Å; H127-F142 HydrophobicContact CB-CE2 3.69Å; H127-F142 HydrophobicContact CB-CG 4.15Å; H127-F142 HydrophobicContact CB-CZ 4Å; D128-F142 HydrophobicContact CB-CZ 4.48Å |
| 143 | T | 89.7 | Confident | 90.2 | Very high | 54 Ų | 54 | 67.1 Ų | 67.1 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.5 | 169.4 | -169.2 | 0 | 0 | 0 | 0 | 111 | I136 T138 Q145 | I136-T143 HydrophobicContact CB-CG2 3.83Å; I136-T143 HydrophobicContact CG2-CG2 4.24Å; I136-T143 PolarHBondContact N-O 3.49Å; I136-T143 PolarHBondContact O-N 3.07Å; T138-T143 HydrophobicContact CG2-CG2 4.02Å; T143-Q145 HydrophobicContact CG2-CG 4.35Å |
| 144 | C | 89.6 | Confident | 90 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.2 | 178.1 | -46.2 | 0 | 0 | 0 | 0 | 109.5 | C129 Q133 | C129-C144 WeakPolarHBondContact CA-SG 3.41Å; C129-C144 HydrophobicContact CB-CB 3.75Å; C129-C144 WeakPolarHBondContact CB-SG 3.41Å; C129-C144 WeakPolarHBondContact SG-CB 3.38Å; C129-C144 CovalentContact SG-SG 2.03Å; C129-C144 PolarHBondContact SG-SG 3.17Å; Q133-C144 HydrophobicContact CB-CB 4.16Å |
| 145 | Q | 91.4 | Very high | 89.5 | Confident | 101 Ų | 101 | 67.9 Ų | 67.9 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150 | -179.7 | -63.4 | -174.1 | 20.7 | 0 | 0 | 110.6 | Q133 Q134 I136 T143 | Q133-Q145 CarbonylContact C-O 3.27Å; Q133-Q145 WeakPolarHBondContact CA-O 3.34Å; Q134-Q145 PolarHBondContact N-O 3.46Å; Q134-Q145 PolarHBondContact O-N 3.05Å; I136-Q145 HydrophobicContact CD1-CB 4Å; I136-Q145 VanDerWaalsContact CD1-CD 3.47Å; I136-Q145 HydrophobicContact CD1-CG 3.89Å; T143-Q145 HydrophobicContact CG2-CG 4.35Å |
| 146 | C | 91.8 | Very high | 89.3 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 147 | 170.7 | -68.6 | 0 | 0 | 0 | 0 | 109.6 | C157 | C146-C157 WeakPolarHBondContact CA-SG 3.45Å; C146-C157 HydrophobicContact CB-CB 3.79Å; C146-C157 WeakPolarHBondContact CB-SG 3.38Å; C146-C157 VanDerWaalsContact SG-CA 3.56Å; C146-C157 WeakPolarHBondContact SG-CB 2.96Å; C146-C157 CovalentContact SG-SG 2.04Å; C146-C157 PolarHBondContact SG-SG 2.88Å |
| 147 | P | 90.7 | Very high | 89.2 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 31% | 0.312 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 155.4 | 171.3 | -23.4 | 33.1 | 0 | 0 | 0 | 111.8 | S132 G149 Y150 | S132-P147 WeakPolarHBondContact O-CD 3.46Å; P147-G149 PolarHBondContact O-N 3.13Å; P147-Y150 HydrophobicContact CB-CD2 3.99Å; P147-Y150 HydrophobicContact CB-CE2 4.49Å; P147-Y150 WeakPolarHBondContact O-CB 3.43Å; P147-Y150 PolarHBondContact O-N 2.9Å |
| 148 | E | 90.3 | Very high | 89.1 | Confident | 186 Ų | 186 | 71.9 Ų | 71.9 | 87% | 0.869 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 134.7 | 171.4 | -73.9 | -73.3 | 159 | 0 | 0 | 110.7 | Y150 | E148-Y150 WeakPolarHBondContact O-CD2 3.11Š|
| 149 | G | 88.6 | Confident | 89.3 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -0.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P147 I160 | P147-G149 PolarHBondContact O-N 3.13Å; G149-I160 VanDerWaalsContact O-CB 3.28Å; G149-I160 WeakPolarHBondContact O-CB 3.09Å; G149-I160 VanDerWaalsContact O-CG1 3.29Å; G149-I160 WeakPolarHBondContact O-CG1 3.4Å; G149-I160 PolarHBondContact O-N 2.77Å |
| 150 | Y | 92.4 | Very high | 89.4 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 28% | 0.275 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.4 | 177.7 | -65.5 | -104.7 | 0 | 0 | 0 | 111.9 | P147 E148 C157 I158 D159 P176 G177 | P147-Y150 HydrophobicContact CB-CD2 3.99Å; P147-Y150 HydrophobicContact CB-CE2 4.49Å; P147-Y150 WeakPolarHBondContact O-CB 3.43Å; P147-Y150 PolarHBondContact O-N 2.9Å; E148-Y150 WeakPolarHBondContact O-CD2 3.11Å; Y150-C157 HydrophobicContact CD1-CB 4.43Å; Y150-I158 WeakPolarHBondContact CA-O 3.45Å; Y150-D159 HydrophobicContact CD1-CB 4.13Å; Y150-D159 VanDerWaalsContact CD1-N 3.35Å; Y150-D159 HydrophobicContact CE1-CB 3.87Å; Y150-P176 VanDerWaalsContact OH-C 3.31Å; Y150-P176 VanDerWaalsContact OH-CB 3.28Å; Y150-P176 WeakPolarHBondContact OH-CB 3.19Å; Y150-G177 PolarHBondContact OH-N 3.12Å |
| 151 | R | 90.8 | Very high | 89.7 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.4 | 174.9 | 64.6 | -179.1 | -175.7 | 99.4 | 8 | 111.2 | V153 I158 I160 | R151-V153 HydrophobicContact CG-CG2 4.25Å; R151-V153 PolarHBondContact O-N 2.87Å; R151-I158 PolarHBondContact N-O 2.83Å; R151-I158 PolarHBondContact O-N 3.38Å; R151-I160 HydrophobicContact CB-CD1 4.24Å; R151-I160 HydrophobicContact CB-CG1 3.88Å; R151-I160 HydrophobicContact CG-CG1 4Å |
| 152 | K | 89.3 | Confident | 89.9 | Confident | 127 Ų | 127 | 68.6 Ų | 68.6 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.5 | 177.2 | -169.1 | 172.3 | -176.3 | 170.7 | 0 | 110.7 | G154 | K152-G154 WeakPolarHBondContact CE-O 3.37Å |
| 153 | V | 88.1 | Confident | 90 | Very high | 59 Ų | 59 | 67 Ų | 67 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 105.4 | 173.1 | -176.1 | 0 | 0 | 0 | 0 | 108 | R151 T155 E156 I158 | R151-V153 HydrophobicContact CG-CG2 4.25Å; R151-V153 PolarHBondContact O-N 2.87Å; V153-T155 PolarHBondContact O-N 3.5Å; V153-E156 PolarHBondContact N-O 2.75Å; V153-E156 PolarHBondContact O-N 3.01Å; V153-I158 HydrophobicContact CB-CD1 3.69Å; V153-I158 HydrophobicContact CB-CG1 4.2Å; V153-I158 HydrophobicContact CG1-CD1 4.12Å; V153-I158 HydrophobicContact CG2-CB 4.42Å; V153-I158 HydrophobicContact CG2-CD1 3.9Å; V153-I158 HydrophobicContact CG2-CG1 4.27Å |
| 154 | G | 85.8 | Confident | 89.9 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 69% | 0.691 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -119.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K152 | K152-G154 WeakPolarHBondContact CE-O 3.37Š|
| 155 | T | 81 | Confident | 89.8 | Confident | 93 Ų | 93 | 79.8 Ų | 79.8 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -10.2 | 178.2 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | Q130 Q133 V153 | Q130-T155 WeakPolarHBondContact CG-O 3.21Å; Q133-T155 PolarHBondContact NE2-O 3.4Å; V153-T155 PolarHBondContact O-N 3.5Å |
| 156 | E | 85.8 | Confident | 89.4 | Confident | 125 Ų | 125 | 86 Ų | 86 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 152.8 | -175.7 | -63.9 | -173.7 | 159.7 | 0 | 0 | 112.1 | V153 | V153-E156 PolarHBondContact N-O 2.75Å; V153-E156 PolarHBondContact O-N 3.01Å |
| 157 | C | 90.8 | Very high | 89.1 | Confident | 17 Ų | 17 | 90.1 Ų | 90.1 | 12% | 0.115 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.6 | 171.2 | -65.2 | 0 | 0 | 0 | 0 | 109.1 | S132 Q133 C146 Y150 | S132-C157 PolarHBondContact O-SG 3.29Å; S132-C157 PolarHBondContact OG-N 3.47Å; Q133-C157 WeakPolarHBondContact CG-SG 3.47Å; C146-C157 WeakPolarHBondContact CA-SG 3.45Å; C146-C157 HydrophobicContact CB-CB 3.79Å; C146-C157 WeakPolarHBondContact CB-SG 3.38Å; C146-C157 VanDerWaalsContact SG-CA 3.56Å; C146-C157 WeakPolarHBondContact SG-CB 2.96Å; C146-C157 CovalentContact SG-SG 2.04Å; C146-C157 PolarHBondContact SG-SG 2.88Å; Y150-C157 HydrophobicContact CD1-CB 4.43Å |
| 158 | I | 90.7 | Very high | 89.1 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.1 | 178 | -53.8 | -177.9 | 0 | 0 | 0 | 107.8 | Y150 R151 V153 | Y150-I158 WeakPolarHBondContact CA-O 3.45Å; R151-I158 PolarHBondContact N-O 2.83Å; R151-I158 PolarHBondContact O-N 3.38Å; V153-I158 HydrophobicContact CB-CD1 3.69Å; V153-I158 HydrophobicContact CB-CG1 4.2Å; V153-I158 HydrophobicContact CG1-CD1 4.12Å; V153-I158 HydrophobicContact CG2-CB 4.42Å; V153-I158 HydrophobicContact CG2-CD1 3.9Å; V153-I158 HydrophobicContact CG2-CG1 4.27Å |
| 159 | D | 93.4 | Very high | 89.2 | Confident | 34 Ų | 34 | 84 Ų | 84 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 137.4 | 175.8 | -172.9 | 57.9 | 0 | 0 | 0 | 111.8 | Y150 D161 N174 G177 | Y150-D159 HydrophobicContact CD1-CB 4.13Å; Y150-D159 VanDerWaalsContact CD1-N 3.35Å; Y150-D159 HydrophobicContact CE1-CB 3.87Å; D159-D161 PolarHBondContact O-N 3.02Å; D159-N174 PolarHBondContact OD2-ND2 3.39Å; D159-G177 PolarHBondContact OD1-N 2.75Å |
| 160 | I | 93.3 | Very high | 89.3 | Confident | 54 Ų | 54 | 85.3 Ų | 85.3 | 28% | 0.277 | 40% | 0.401 | S | S | . | . | trans | -81.9 | 113.4 | 175.9 | -63.1 | 170.7 | 0 | 0 | 0 | 107.3 | G149 R151 E162 N174 | G149-I160 VanDerWaalsContact O-CB 3.28Å; G149-I160 WeakPolarHBondContact O-CB 3.09Å; G149-I160 VanDerWaalsContact O-CG1 3.29Å; G149-I160 WeakPolarHBondContact O-CG1 3.4Å; G149-I160 PolarHBondContact O-N 2.77Å; R151-I160 HydrophobicContact CB-CD1 4.24Å; R151-I160 HydrophobicContact CB-CG1 3.88Å; R151-I160 HydrophobicContact CG-CG1 4Å; I160-E162 HydrophobicContact CG2-CG 4.24Å; I160-E162 PolarHBondContact O-N 3.45Å; I160-N174 PolarHBondContact O-OD1 3.49Å | ||
| 161 | D | 92 | Very high | 89.3 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | trans | -73.6 | 87.3 | 174.6 | -178.1 | -2.4 | 0 | 0 | 0 | 110.5 | D159 C163 R164 N174 | D159-D161 PolarHBondContact O-N 3.02Å; D161-C163 PolarHBondContact O-N 3.43Å; D161-C163 WeakPolarHBondContact OD1-CB 3.39Å; D161-C163 PolarHBondContact OD1-N 3.09Å; D161-R164 HydrophobicContact CB-CG 4.29Å; D161-R164 PolarHBondContact O-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CG 3.27Å; D161-R164 IonicContact OD2-CZ 2.64Å; D161-R164 IonicContact OD2-NE 2.87Å; D161-R164 PolarHBondContact OD2-NE 2.94Å; D161-R164 IonicContact OD2-NH2 3.66Å; D161-N174 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 162 | E | 92 | Very high | 89.5 | Confident | 24 Ų | 24 | 85.3 Ų | 85.3 | 11% | 0.112 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -66.2 | -24.4 | -179.6 | -57.4 | 95.4 | 160.2 | 0 | 0 | 111.4 | I160 R164 Y165 Y167 N174 F179 | I160-E162 HydrophobicContact CG2-CG 4.24Å; I160-E162 PolarHBondContact O-N 3.45Å; E162-R164 PolarHBondContact O-N 3.46Å; E162-Y165 PolarHBondContact O-N 2.82Å; E162-Y167 HydrophobicContact CB-CD2 3.82Å; E162-Y167 HydrophobicContact CB-CE2 4.13Å; E162-Y167 VanDerWaalsContact O-CD2 3.26Å; E162-Y167 WeakPolarHBondContact O-CD2 3.35Å; E162-N174 PolarHBondContact OE2-OD1 3.34Å; E162-F179 HydrophobicContact CB-CB 4.13Å; E162-F179 HydrophobicContact CB-CD1 3.67Å; E162-F179 HydrophobicContact CB-CG 3.96Å; E162-F179 HydrophobicContact CG-CD1 3.84Å |
| 163 | C | 91.7 | Very high | 89.8 | Confident | 31 Ų | 31 | 81.3 Ų | 81.3 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -61.6 | -20.9 | 179.8 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | D161 Y165 R166 C172 V173 N174 | D161-C163 PolarHBondContact O-N 3.43Å; D161-C163 WeakPolarHBondContact OD1-CB 3.39Å; D161-C163 PolarHBondContact OD1-N 3.09Å; C163-Y165 PolarHBondContact O-N 3.23Å; C163-R166 PolarHBondContact O-N 3Å; C163-C172 WeakPolarHBondContact CA-SG 3.24Å; C163-C172 HydrophobicContact CB-CB 3.64Å; C163-C172 WeakPolarHBondContact CB-SG 3.45Å; C163-C172 WeakPolarHBondContact SG-CB 3.49Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å; C163-V173 PolarHBondContact SG-N 2.98Å; C163-N174 PolarHBondContact SG-N 3.39Å |
| 164 | R | 89.4 | Confident | 90 | Very high | 187 Ų | 187 | 81.3 Ų | 81.3 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.4 | 172.1 | -70.9 | 176 | -174.5 | -166.8 | -5.6 | 113.9 | D161 E162 | D161-R164 HydrophobicContact CB-CG 4.29Å; D161-R164 PolarHBondContact O-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CG 3.27Å; D161-R164 IonicContact OD2-CZ 2.64Å; D161-R164 IonicContact OD2-NE 2.87Å; D161-R164 PolarHBondContact OD2-NE 2.94Å; D161-R164 IonicContact OD2-NH2 3.66Å; E162-R164 PolarHBondContact O-N 3.46Å |
| 165 | Y | 86.6 | Confident | 90.4 | Very high | 163 Ų | 163 | 80.6 Ų | 80.6 | 64% | 0.639 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -102.8 | 14.1 | -174.5 | -58.1 | -82.3 | 0 | 0 | 0 | 113.6 | E162 C163 Y167 | E162-Y165 PolarHBondContact O-N 2.82Å; C163-Y165 PolarHBondContact O-N 3.23Å; Y165-Y167 VanDerWaalsContact C-N 3.32Å; Y165-Y167 VanDerWaalsContact CB-CE2 3.48Å; Y165-Y167 HydrophobicContact CD2-CE2 4.25Å; Y165-Y167 HydrophobicContact CG-CE2 4.14Å; Y165-Y167 PolarHBondContact O-N 3.44Å |
| 166 | R | 82.4 | Confident | 90.9 | Very high | 230 Ų | 230 | 81.5 Ų | 81.5 | 87% | 0.868 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.4 | 177.1 | -63.6 | -173.4 | 173.6 | 177.8 | -3.1 | 113.9 | C163 C168 | C163-R166 PolarHBondContact O-N 3Å; R166-C168 VanDerWaalsContact C-N 3.25Å; R166-C168 PolarHBondContact O-N 3.27Å |
| 167 | Y | 85.9 | Confident | 91.1 | Very high | 114 Ų | 114 | 76.7 Ų | 76.7 | 45% | 0.447 | 36% | 0.363 | S | S | . | . | trans | -71.6 | -12.6 | -179.6 | -88.7 | -66.9 | 0 | 0 | 0 | 115.6 | E162 Y165 R194 | E162-Y167 HydrophobicContact CB-CD2 3.82Å; E162-Y167 HydrophobicContact CB-CE2 4.13Å; E162-Y167 VanDerWaalsContact O-CD2 3.26Å; E162-Y167 WeakPolarHBondContact O-CD2 3.35Å; Y165-Y167 VanDerWaalsContact C-N 3.32Å; Y165-Y167 VanDerWaalsContact CB-CE2 3.48Å; Y165-Y167 HydrophobicContact CD2-CE2 4.25Å; Y165-Y167 HydrophobicContact CG-CE2 4.14Å; Y165-Y167 PolarHBondContact O-N 3.44Å; Y167-R194 VanDerWaalsContact CB-NH1 3.31Å | ||
| 168 | C | 91.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 78.4 Ų | 78.4 | 10% | 0.101 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -111.9 | 146.3 | 179.3 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | R166 C172 C181 | R166-C168 VanDerWaalsContact C-N 3.25Å; R166-C168 PolarHBondContact O-N 3.27Å; C168-C172 HydrophobicContact CB-CB 3.98Å; C168-C172 WeakPolarHBondContact SG-CB 3.47Å; C168-C181 VanDerWaalsContact CA-SG 3.5Å; C168-C181 HydrophobicContact CB-CB 3.67Å; C168-C181 WeakPolarHBondContact CB-SG 3.32Å; C168-C181 WeakPolarHBondContact SG-CA 3.38Å; C168-C181 WeakPolarHBondContact SG-CB 3.42Å; C168-C181 CovalentContact SG-SG 2.02Å; C168-C181 PolarHBondContact SG-SG 3.01Å |
| 169 | Q | 91.4 | Very high | 91.3 | Very high | 92 Ų | 92 | 76.7 Ų | 76.7 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -68.2 | -43.6 | 174.8 | -177.8 | 178.8 | -24.3 | 0 | 0 | 112.2 | R194 C196 | Q169-R194 PolarHBondContact N-O 2.84Å; Q169-C196 PolarHBondContact NE2-O 3.32Å; Q169-C196 PolarHBondContact OE1-O 2.78Å |
| 170 | H | 92 | Very high | 91.3 | Very high | 44 Ų | 44 | 77.7 Ų | 77.7 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -107.2 | -120 | 177.7 | -64.5 | 169 | 0 | 0 | 0 | 110 | Q182 E184 F187 C196 | H170-Q182 WeakPolarHBondContact CB-O 3.14Å; H170-E184 HydrophobicContact CB-CG 4.29Å; H170-E184 PolarHBondContact ND1-N 2.8Å; H170-F187 AromaticContact CE1-CD1 3.93Å; H170-F187 AromaticContact CE1-CD2 3.76Å; H170-F187 AromaticContact CE1-CG 3.66Å; H170-C196 VanDerWaalsContact CE1-CB 3.45Å; H170-C196 WeakPolarHBondContact CE1-CB 3.44Å; H170-C196 WeakPolarHBondContact ND1-CB 3.36Å; H170-C196 PolarHBondContact ND1-SG 2.99Å |
| 171 | R | 92.8 | Very high | 91.4 | Very high | 164 Ų | 164 | 75.5 Ų | 75.5 | 62% | 0.619 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 133.1 | -174.8 | -177.4 | 178.5 | -177.2 | -179.6 | 1.7 | 111.3 | V173 C181 Q182 | R171-V173 HydrophobicContact CG-CG2 4.49Å; R171-C181 CarbonylContact O-C 3.18Å; R171-C181 WeakPolarHBondContact O-CA 3.39Å; R171-Q182 HydrophobicContact CB-CB 4.23Å; R171-Q182 PolarHBondContact N-O 2.82Å; R171-Q182 PolarHBondContact O-N 2.96Å |
| 172 | C | 94.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 77.2 Ų | 77.2 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.4 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | C163 C168 | C163-C172 WeakPolarHBondContact CA-SG 3.24Å; C163-C172 HydrophobicContact CB-CB 3.64Å; C163-C172 WeakPolarHBondContact CB-SG 3.45Å; C163-C172 WeakPolarHBondContact SG-CB 3.49Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å; C168-C172 HydrophobicContact CB-CB 3.98Å; C168-C172 WeakPolarHBondContact SG-CB 3.47Å |
| 173 | V | 94.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 77.7 Ų | 77.7 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 117.9 | 173.7 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | C163 R171 V175 F179 S180 Q182 | C163-V173 PolarHBondContact SG-N 2.98Å; R171-V173 HydrophobicContact CG-CG2 4.49Å; V173-V175 HydrophobicContact CG1-CG1 4.37Å; V173-F179 CarbonylContact O-C 3.51Å; V173-F179 WeakPolarHBondContact O-CA 3.25Å; V173-S180 PolarHBondContact N-O 3.37Å; V173-S180 PolarHBondContact O-N 2.84Å; V173-Q182 HydrophobicContact CG2-CG 4.44Å |
| 174 | N | 93.8 | Very high | 91.7 | Very high | 58 Ų | 58 | 81.9 Ų | 81.9 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.3 | 176.6 | -166 | 54.2 | 0 | 0 | 0 | 109.7 | D159 I160 D161 E162 C163 S178 | D159-N174 PolarHBondContact OD2-ND2 3.39Å; I160-N174 PolarHBondContact O-OD1 3.49Å; D161-N174 WeakPolarHBondContact CA-OD1 3.42Å; E162-N174 PolarHBondContact OE2-OD1 3.34Å; C163-N174 PolarHBondContact SG-N 3.39Å; N174-S178 PolarHBondContact OD1-O 2.84Å |
| 175 | V | 93.9 | Very high | 91.8 | Very high | 52 Ų | 52 | 78.8 Ų | 78.8 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150 | -179.9 | -64.4 | 0 | 0 | 0 | 0 | 109.5 | V173 G177 S178 | V173-V175 HydrophobicContact CG1-CG1 4.37Å; V175-G177 PolarHBondContact O-N 3.05Å; V175-S178 CarbonylContact C-O 3.54Å; V175-S178 VanDerWaalsContact CG2-C 3.49Å; V175-S178 VanDerWaalsContact CG2-O 3.29Å; V175-S178 WeakPolarHBondContact CG2-O 3.37Å; V175-S178 PolarHBondContact N-O 3.48Å; V175-S178 CarbonylContact O-C 3.48Å; V175-S178 PolarHBondContact O-N 3.43Å |
| 176 | P | 92.3 | Very high | 92 | Very high | 113 Ų | 113 | 72 Ų | 72 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 117.4 | -177.5 | -26.6 | 35.2 | 0 | 0 | 0 | 112.8 | Y150 | Y150-P176 VanDerWaalsContact OH-C 3.31Å; Y150-P176 VanDerWaalsContact OH-CB 3.28Å; Y150-P176 WeakPolarHBondContact OH-CB 3.19Å |
| 177 | G | 89.6 | Confident | 92.6 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y150 D159 V175 | Y150-G177 PolarHBondContact OH-N 3.12Å; D159-G177 PolarHBondContact OD1-N 2.75Å; V175-G177 PolarHBondContact O-N 3.05Å |
| 178 | S | 92.5 | Very high | 93 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -164.1 | 178.5 | -154 | 0 | 0 | 0 | 0 | 113.6 | N174 V175 | N174-S178 PolarHBondContact OD1-O 2.84Å; V175-S178 CarbonylContact C-O 3.54Å; V175-S178 VanDerWaalsContact CG2-C 3.49Å; V175-S178 VanDerWaalsContact CG2-O 3.29Å; V175-S178 WeakPolarHBondContact CG2-O 3.37Å; V175-S178 PolarHBondContact N-O 3.48Å; V175-S178 CarbonylContact O-C 3.48Å; V175-S178 PolarHBondContact O-N 3.43Å |
| 179 | F | 93.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 158.9 | 172.4 | 67.9 | -74.1 | 0 | 0 | 0 | 110.3 | E162 V173 R194 | E162-F179 HydrophobicContact CB-CB 4.13Å; E162-F179 HydrophobicContact CB-CD1 3.67Å; E162-F179 HydrophobicContact CB-CG 3.96Å; E162-F179 HydrophobicContact CG-CD1 3.84Å; V173-F179 CarbonylContact O-C 3.51Å; V173-F179 WeakPolarHBondContact O-CA 3.25Å; F179-R194 HydrophobicContact CE2-CG 4.48Å |
| 180 | S | 92.8 | Very high | 93.2 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.7 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | V173 | V173-S180 PolarHBondContact N-O 3.37Å; V173-S180 PolarHBondContact O-N 2.84Å |
| 181 | C | 94.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.9 | 173.8 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | C168 R171 L189 N193 | C168-C181 VanDerWaalsContact CA-SG 3.5Å; C168-C181 HydrophobicContact CB-CB 3.67Å; C168-C181 WeakPolarHBondContact CB-SG 3.32Å; C168-C181 WeakPolarHBondContact SG-CA 3.38Å; C168-C181 WeakPolarHBondContact SG-CB 3.42Å; C168-C181 CovalentContact SG-SG 2.02Å; C168-C181 PolarHBondContact SG-SG 3.01Å; R171-C181 CarbonylContact O-C 3.18Å; R171-C181 WeakPolarHBondContact O-CA 3.39Å; C181-L189 HydrophobicContact CB-CD1 3.91Å; C181-N193 WeakPolarHBondContact CB-O 3.23Å; C181-N193 PolarHBondContact SG-O 2.82Å; C181-N193 VanDerWaalsContact SG-O 3.38Å |
| 182 | Q | 94.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.1 | 177 | -63.9 | 179.4 | 2.3 | 0 | 0 | 109.5 | H170 R171 V173 | H170-Q182 WeakPolarHBondContact CB-O 3.14Å; R171-Q182 HydrophobicContact CB-CB 4.23Å; R171-Q182 PolarHBondContact N-O 2.82Å; R171-Q182 PolarHBondContact O-N 2.96Å; V173-Q182 HydrophobicContact CG2-CG 4.44Å |
| 183 | C | 94.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 62 Ų | 62 | 22% | 0.223 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -90 | 146.7 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 111 | F187 C196 | C183-F187 HydrophobicContact CB-CB 3.78Å; C183-C196 WeakPolarHBondContact CA-SG 3.47Å; C183-C196 HydrophobicContact CB-CB 3.84Å; C183-C196 WeakPolarHBondContact CB-SG 3.47Å; C183-C196 VanDerWaalsContact SG-CA 3.53Å; C183-C196 WeakPolarHBondContact SG-CB 3.39Å; C183-C196 CovalentContact SG-SG 2.04Å; C183-C196 PolarHBondContact SG-SG 2.83Å |
| 184 | E | 93.9 | Very high | 92.7 | Very high | 119 Ų | 119 | 64.1 Ų | 64.1 | 56% | 0.556 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 159.8 | 168.7 | -64.4 | -174.2 | 166.3 | 0 | 0 | 111.5 | H170 F187 | H170-E184 HydrophobicContact CB-CG 4.29Å; H170-E184 PolarHBondContact ND1-N 2.8Å; E184-F187 HydrophobicContact CB-CD2 4.26Å; E184-F187 WeakPolarHBondContact O-CB 3.36Å; E184-F187 PolarHBondContact O-N 2.95Å; E184-F187 VanDerWaalsContact O-N 3.16Å |
| 185 | P | 91.6 | Very high | 92.7 | Very high | 122 Ų | 122 | 63.4 Ų | 63.4 | 79% | 0.792 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 142.4 | 174 | -24.4 | 34.8 | 0 | 0 | 0 | 111.9 | F187 | P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 WeakPolarHBondContact O-CD2 3.31Å |
| 186 | G | 91 | Very high | 92.8 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 0.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V199 | G186-V199 WeakPolarHBondContact O-CB 3.41Å; G186-V199 PolarHBondContact O-N 2.84Å |
| 187 | F | 94.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.3 | 178.5 | -61 | -91.1 | 0 | 0 | 0 | 112 | H170 C183 E184 P185 C196 I197 D198 Y216 | H170-F187 AromaticContact CE1-CD1 3.93Å; H170-F187 AromaticContact CE1-CD2 3.76Å; H170-F187 AromaticContact CE1-CG 3.66Å; C183-F187 HydrophobicContact CB-CB 3.78Å; E184-F187 HydrophobicContact CB-CD2 4.26Å; E184-F187 WeakPolarHBondContact O-CB 3.36Å; E184-F187 PolarHBondContact O-N 2.95Å; E184-F187 VanDerWaalsContact O-N 3.16Å; P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 WeakPolarHBondContact O-CD2 3.31Å; F187-C196 HydrophobicContact CB-CB 4.09Å; F187-I197 CarbonylContact C-O 3.6Å; F187-I197 VanDerWaalsContact CA-O 3.31Å; F187-I197 WeakPolarHBondContact CA-O 3.49Å; F187-D198 HydrophobicContact CD1-CB 4.25Å; F187-D198 HydrophobicContact CE1-CB 4.03Å; F187-Y216 HydrophobicContact CE1-CD1 4.21Å; F187-Y216 HydrophobicContact CE1-CD2 4.03Å; F187-Y216 AromaticContact CE1-CE1 3.75Å; F187-Y216 HydrophobicContact CE1-CE1 3.75Å; F187-Y216 AromaticContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CG 4.34Å; F187-Y216 AromaticContact CE1-CZ 3.38Å; F187-Y216 HydrophobicContact CE2-CE1 4.4Å; F187-Y216 AromaticContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD2 4.28Å; F187-Y216 AromaticContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE2 4.01Å; F187-Y216 HydrophobicContact CZ-CG 4.12Å; F187-Y216 AromaticContact CZ-CZ 3.52Å |
| 188 | Q | 94 | Very high | 93.2 | Very high | 91 Ų | 91 | 60.7 Ų | 60.7 | 43% | 0.425 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151.7 | 174.4 | 64.3 | -179.1 | 1.5 | 0 | 0 | 111.3 | A190 C196 I197 V199 | Q188-A190 PolarHBondContact O-N 3.12Å; Q188-C196 WeakPolarHBondContact O-CA 3.45Å; Q188-I197 HydrophobicContact CG-CD1 3.93Å; Q188-I197 HydrophobicContact CG-CG1 3.5Å; Q188-I197 VanDerWaalsContact CG-CG1 3.5Å; Q188-I197 PolarHBondContact N-O 3.07Å; Q188-I197 WeakPolarHBondContact O-CG1 3.26Å; Q188-I197 PolarHBondContact O-N 3.42Å; Q188-V199 HydrophobicContact CB-CG2 3.85Å; Q188-V199 HydrophobicContact CG-CG2 3.84Å |
| 189 | L | 94.8 | Very high | 93.3 | Very high | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.366 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.6 | -178.4 | -161 | 70.6 | 0 | 0 | 0 | 109.9 | C181 N193 | C181-L189 HydrophobicContact CB-CD1 3.91Å; L189-N193 HydrophobicContact CD2-CB 4.04Å |
| 190 | A | 93.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -69.9 | 163.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q188 N192 N193 S195 I197 | Q188-A190 PolarHBondContact O-N 3.12Å; A190-N192 PolarHBondContact O-N 3.24Å; A190-N193 PolarHBondContact O-N 3.07Å; A190-S195 WeakPolarHBondContact CB-O 3.24Å; A190-S195 PolarHBondContact N-O 3.22Å; A190-I197 HydrophobicContact CB-CG2 4.14Å | ||
| 191 | G | 91.3 | Very high | 93.5 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 91% | 0.907 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -9.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | N193 | G191-N193 VanDerWaalsContact C-N 3.33Š|
| 192 | N | 90.8 | Very high | 93.5 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.1 | 172.7 | 70.5 | -5.2 | 0 | 0 | 0 | 113.7 | A190 R194 S195 | A190-N192 PolarHBondContact O-N 3.24Å; N192-R194 WeakPolarHBondContact O-CG 3.47Å; N192-R194 PolarHBondContact O-N 2.81Å; N192-R194 VanDerWaalsContact O-N 3.11Å; N192-R194 PolarHBondContact OD1-N 3.27Å; N192-S195 PolarHBondContact ND2-OG 2.82Å; N192-S195 PolarHBondContact OD1-N 3.14Å |
| 193 | N | 90.8 | Very high | 93.5 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 57% | 0.572 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 55.2 | 21.7 | -176.6 | -68.3 | -7.4 | 0 | 0 | 0 | 115.5 | C181 L189 A190 G191 | C181-N193 WeakPolarHBondContact CB-O 3.23Å; C181-N193 PolarHBondContact SG-O 2.82Å; C181-N193 VanDerWaalsContact SG-O 3.38Å; L189-N193 HydrophobicContact CD2-CB 4.04Å; A190-N193 PolarHBondContact O-N 3.07Å; G191-N193 VanDerWaalsContact C-N 3.33Å |
| 194 | R | 90.6 | Very high | 93.3 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -133.6 | -37.2 | -175 | -68.2 | 174.3 | -174.5 | -84.4 | 4.1 | 113.6 | Y167 Q169 F179 N192 | Y167-R194 VanDerWaalsContact CB-NH1 3.31Å; Q169-R194 PolarHBondContact N-O 2.84Å; F179-R194 HydrophobicContact CE2-CG 4.48Å; N192-R194 WeakPolarHBondContact O-CG 3.47Å; N192-R194 PolarHBondContact O-N 2.81Å; N192-R194 VanDerWaalsContact O-N 3.11Å; N192-R194 PolarHBondContact OD1-N 3.27Å |
| 195 | S | 93.4 | Very high | 93 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 30% | 0.301 | 38% | 0.384 | S | S | . | . | trans | -93.1 | 152.5 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | A190 N192 | A190-S195 WeakPolarHBondContact CB-O 3.24Å; A190-S195 PolarHBondContact N-O 3.22Å; N192-S195 PolarHBondContact ND2-OG 2.82Å; N192-S195 PolarHBondContact OD1-N 3.14Å | ||
| 196 | C | 94.7 | Very high | 93 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.8 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 108.3 | Q169 H170 C183 F187 Q188 | Q169-C196 PolarHBondContact NE2-O 3.32Å; Q169-C196 PolarHBondContact OE1-O 2.78Å; H170-C196 VanDerWaalsContact CE1-CB 3.45Å; H170-C196 WeakPolarHBondContact CE1-CB 3.44Å; H170-C196 WeakPolarHBondContact ND1-CB 3.36Å; H170-C196 PolarHBondContact ND1-SG 2.99Å; C183-C196 WeakPolarHBondContact CA-SG 3.47Å; C183-C196 HydrophobicContact CB-CB 3.84Å; C183-C196 WeakPolarHBondContact CB-SG 3.47Å; C183-C196 VanDerWaalsContact SG-CA 3.53Å; C183-C196 WeakPolarHBondContact SG-CB 3.39Å; C183-C196 CovalentContact SG-SG 2.04Å; C183-C196 PolarHBondContact SG-SG 2.83Å; F187-C196 HydrophobicContact CB-CB 4.09Å; Q188-C196 WeakPolarHBondContact O-CA 3.45Å |
| 197 | I | 95 | Very high | 93.1 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.4 | 174.2 | 57.9 | 174 | 0 | 0 | 0 | 108.9 | F187 Q188 A190 | F187-I197 CarbonylContact C-O 3.6Å; F187-I197 VanDerWaalsContact CA-O 3.31Å; F187-I197 WeakPolarHBondContact CA-O 3.49Å; Q188-I197 HydrophobicContact CG-CD1 3.93Å; Q188-I197 HydrophobicContact CG-CG1 3.5Å; Q188-I197 VanDerWaalsContact CG-CG1 3.5Å; Q188-I197 PolarHBondContact N-O 3.07Å; Q188-I197 WeakPolarHBondContact O-CG1 3.26Å; Q188-I197 PolarHBondContact O-N 3.42Å; A190-I197 HydrophobicContact CB-CG2 4.14Å |
| 198 | D | 95.6 | Very high | 93 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 23% | 0.225 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 135.3 | 175.6 | -173 | 63.7 | 0 | 0 | 0 | 110.6 | F187 N214 G217 | F187-D198 HydrophobicContact CD1-CB 4.25Å; F187-D198 HydrophobicContact CE1-CB 4.03Å; D198-N214 PolarHBondContact OD2-ND2 2.85Å; D198-G217 PolarHBondContact OD1-N 3.38Å |
| 199 | V | 94.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 121.7 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 107.5 | G186 Q188 E201 M204 N214 | G186-V199 WeakPolarHBondContact O-CB 3.41Å; G186-V199 PolarHBondContact O-N 2.84Å; Q188-V199 HydrophobicContact CB-CG2 3.85Å; Q188-V199 HydrophobicContact CG-CG2 3.84Å; V199-E201 HydrophobicContact CG1-CG 4.43Å; V199-E201 PolarHBondContact O-N 2.04Å; V199-E201 VanDerWaalsContact O-N 3.08Å; V199-E201 VanDerWaalsContact O-OE2 3.07Å; V199-M204 HydrophobicContact CG1-CE 3.46Å; V199-M204 VanDerWaalsContact CG1-CE 3.46Å; V199-M204 HydrophobicContact CG1-SD 3.46Å; V199-M204 WeakPolarHBondContact CG1-SD 3.43Å; V199-N214 PolarHBondContact O-OD1 3.14Å |
| 200 | N | 95.1 | Very high | 93.1 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | trans | -78.5 | 95.1 | 173.3 | -173.4 | -9.4 | 0 | 0 | 0 | 110.2 | C202 D203 M204 N214 | N200-C202 PolarHBondContact O-N 2.75Å; N200-C202 VanDerWaalsContact OD1-CB 3.25Å; N200-C202 WeakPolarHBondContact OD1-CB 3.31Å; N200-C202 PolarHBondContact OD1-N 2.67Å; N200-D203 HydrophobicContact CB-CB 4.29Å; N200-D203 PolarHBondContact ND2-OD1 2.89Å; N200-D203 PolarHBondContact ND2-OD2 2.84Å; N200-D203 PolarHBondContact O-N 3.26Å; N200-D203 PolarHBondContact OD1-N 3.09Å; N200-M204 PolarHBondContact O-N 2.04Å; N200-N214 WeakPolarHBondContact CA-OD1 3.41Å; N200-N214 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 201 | E | 94.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 66 Ų | 66 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.8 | -179.9 | -60.2 | 88 | 176 | 0 | 0 | 112.4 | V199 D203 M204 G205 A206 N214 T218 F219 | V199-E201 HydrophobicContact CG1-CG 4.43Å; V199-E201 PolarHBondContact O-N 2.04Å; V199-E201 VanDerWaalsContact O-N 3.08Å; V199-E201 VanDerWaalsContact O-OE2 3.07Å; E201-D203 VanDerWaalsContact C-N 3.33Å; E201-D203 PolarHBondContact O-N 2.95Å; E201-M204 CarbonylContact O-C 3.53Å; E201-M204 PolarHBondContact O-N 3.49Å; E201-M204 VanDerWaalsContact O-N 3.14Å; E201-G205 PolarHBondContact O-N 3.12Å; E201-A206 HydrophobicContact CB-CB 4.42Å; E201-A206 WeakPolarHBondContact O-CB 3.39Å; E201-A206 PolarHBondContact O-N 2.66Å; E201-N214 PolarHBondContact OE2-OD1 3.28Å; E201-T218 VanDerWaalsContact OE2-C 3.31Å; E201-F219 HydrophobicContact CB-CB 4.18Å; E201-F219 HydrophobicContact CB-CD1 3.51Å; E201-F219 HydrophobicContact CB-CE1 4.15Å; E201-F219 HydrophobicContact CB-CG 3.96Å; E201-F219 HydrophobicContact CG-CD1 3.75Å; E201-F219 HydrophobicContact CG-CE1 4.32Å |
| 202 | C | 94.4 | Very high | 93.4 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -38.1 | 175.8 | -57 | 0 | 0 | 0 | 0 | 112 | N200 M204 G205 C212 Y213 N214 | N200-C202 PolarHBondContact O-N 2.75Å; N200-C202 VanDerWaalsContact OD1-CB 3.25Å; N200-C202 WeakPolarHBondContact OD1-CB 3.31Å; N200-C202 PolarHBondContact OD1-N 2.67Å; C202-M204 PolarHBondContact O-N 3.39Å; C202-G205 PolarHBondContact O-N 3.31Å; C202-C212 WeakPolarHBondContact CA-SG 3.27Å; C202-C212 HydrophobicContact CB-CB 3.75Å; C202-C212 WeakPolarHBondContact CB-SG 3.46Å; C202-C212 WeakPolarHBondContact SG-CB 3.4Å; C202-C212 CovalentContact SG-SG 2.04Å; C202-C212 PolarHBondContact SG-SG 3Å; C202-Y213 VanDerWaalsContact SG-C 3.51Å; C202-Y213 PolarHBondContact SG-N 3.05Å; C202-N214 PolarHBondContact SG-N 3.13Å; C202-N214 VanDerWaalsContact SG-N 3.35Å |
| 203 | D | 95.1 | Very high | 93.7 | Very high | 134 Ų | 134 | 64 Ų | 64 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.6 | 176.2 | -67.2 | -19 | 0 | 0 | 0 | 111.9 | N200 E201 G205 | N200-D203 HydrophobicContact CB-CB 4.29Å; N200-D203 PolarHBondContact ND2-OD1 2.89Å; N200-D203 PolarHBondContact ND2-OD2 2.84Å; N200-D203 PolarHBondContact O-N 3.26Å; N200-D203 PolarHBondContact OD1-N 3.09Å; E201-D203 VanDerWaalsContact C-N 3.33Å; E201-D203 PolarHBondContact O-N 2.95Å; D203-G205 VanDerWaalsContact C-N 3.34Å |
| 204 | M | 89.8 | Confident | 93.8 | Very high | 130 Ų | 130 | 61.7 Ų | 61.7 | 64% | 0.64 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 3.1 | 178.3 | -62.9 | -169.6 | 177.5 | 0 | 0 | 113.8 | V199 N200 E201 C202 | V199-M204 HydrophobicContact CG1-CE 3.46Å; V199-M204 VanDerWaalsContact CG1-CE 3.46Å; V199-M204 HydrophobicContact CG1-SD 3.46Å; V199-M204 WeakPolarHBondContact CG1-SD 3.43Å; N200-M204 PolarHBondContact O-N 2.04Å; E201-M204 CarbonylContact O-C 3.53Å; E201-M204 PolarHBondContact O-N 3.49Å; E201-M204 VanDerWaalsContact O-N 3.14Å; C202-M204 PolarHBondContact O-N 3.39Å |
| 205 | G | 88.8 | Confident | 94 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 65% | 0.649 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 48.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E201 C202 D203 | E201-G205 PolarHBondContact O-N 3.12Å; C202-G205 PolarHBondContact O-N 3.31Å; D203-G205 VanDerWaalsContact C-N 3.34Å |
| 206 | A | 91.3 | Very high | 94 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 17% | 0.174 | 35% | 0.35 | C | S | . | . | trans | -47.1 | 145.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E201 C208 C212 F219 | E201-A206 HydrophobicContact CB-CB 4.42Å; E201-A206 WeakPolarHBondContact O-CB 3.39Å; E201-A206 PolarHBondContact O-N 2.66Å; A206-C208 PolarHBondContact O-N 3.21Å; A206-C212 VanDerWaalsContact CB-SG 3.5Å; A206-F219 HydrophobicContact CB-CD2 3.75Å; A206-F219 HydrophobicContact CB-CE2 3.73Å; A206-F219 HydrophobicContact CB-CG 4.26Å; A206-F219 HydrophobicContact CB-CZ 4.22Å | ||
| 207 | P | 91.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -72 | 18.6 | -174.8 | 31.5 | -38.2 | 0 | 0 | 0 | 114.8 | Q209 F219 F234 | P207-Q209 PolarHBondContact O-N 3.25Å; P207-F219 HydrophobicContact CG-CE2 4.27Å; P207-F219 HydrophobicContact CG-CZ 3.98Å; P207-F234 HydrophobicContact CB-CD1 4.39Å; P207-F234 HydrophobicContact CB-CG 4.4Å; P207-F234 HydrophobicContact CG-CD1 3.67Å; P207-F234 HydrophobicContact CG-CD2 4.44Å; P207-F234 HydrophobicContact CG-CE1 3.71Å; P207-F234 HydrophobicContact CG-CE2 4.46Å; P207-F234 HydrophobicContact CG-CG 4.07Å; P207-F234 HydrophobicContact CG-CZ 4.12Å |
| 208 | C | 94 | Very high | 93.7 | Very high | 21 Ų | 21 | 66 Ų | 66 | 14% | 0.142 | 36% | 0.359 | C | S | . | . | trans | -67.6 | 129.5 | 178.7 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | A206 Q210 C212 C221 | A206-C208 PolarHBondContact O-N 3.21Å; C208-Q210 PolarHBondContact O-N 3.45Å; C208-C212 HydrophobicContact CB-CB 4.06Å; C208-C212 VanDerWaalsContact SG-CB 3.53Å; C208-C212 VanDerWaalsContact SG-SG 3.68Å; C208-C221 WeakPolarHBondContact CA-SG 3.48Å; C208-C221 HydrophobicContact CB-CB 3.7Å; C208-C221 WeakPolarHBondContact CB-SG 3.04Å; C208-C221 WeakPolarHBondContact SG-CA 3.06Å; C208-C221 WeakPolarHBondContact SG-CB 3.39Å; C208-C221 CovalentContact SG-SG 2.02Å; C208-C221 PolarHBondContact SG-SG 3.4Å | ||
| 209 | Q | 95.2 | Very high | 93.6 | Very high | 116 Ų | 116 | 66.1 Ų | 66.1 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -68 | -34.6 | 176.8 | -175.5 | 178.2 | -14.3 | 0 | 0 | 113 | P207 F234 C236 | P207-Q209 PolarHBondContact O-N 3.25Å; Q209-F234 PolarHBondContact N-O 3.09Å; Q209-F234 VanDerWaalsContact N-O 3.09Å; Q209-C236 PolarHBondContact OE1-O 3.21Å |
| 210 | Q | 94.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 68.5 Ų | 68.5 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -122.3 | -91.4 | -175.6 | -66 | 176.8 | -2.1 | 0 | 0 | 111.6 | C208 C223 C236 | C208-Q210 PolarHBondContact O-N 3.45Å; Q210-C223 VanDerWaalsContact OE1-CA 3.22Å; Q210-C236 VanDerWaalsContact CD-CB 3.45Å; Q210-C236 HydrophobicContact CG-CB 3.99Å |
| 211 | R | 95.7 | Very high | 93.6 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.4 | -176.9 | -65.2 | -177.5 | -78.9 | 136.3 | -6.1 | 111.7 | Y213 C221 R222 C223 D224 | R211-Y213 HydrophobicContact CB-CE2 3.79Å; R211-Y213 PolarHBondContact NH1-OH 3.17Å; R211-C221 CarbonylContact O-C 3.52Å; R211-C221 VanDerWaalsContact O-CA 3.3Å; R211-C221 WeakPolarHBondContact O-CA 3.08Å; R211-R222 WeakPolarHBondContact CB-O 3.39Å; R211-R222 PolarHBondContact N-O 2.76Å; R211-R222 VanDerWaalsContact N-O 3.1Å; R211-R222 PolarHBondContact O-N 2.7Å; R211-C223 PolarHBondContact NH2-O 2.93Å; R211-D224 WeakPolarHBondContact CD-OD1 3.41Å; R211-D224 IonicContact CZ-OD1 2.74Å; R211-D224 IonicContact NE-OD1 3.46Å; R211-D224 PolarHBondContact NE-OD1 2.85Å; R211-D224 IonicContact NH2-OD1 3.99Å |
| 212 | C | 96.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 71.2 Ų | 71.2 | 25% | 0.25 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.1 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | C202 A206 C208 | C202-C212 WeakPolarHBondContact CA-SG 3.27Å; C202-C212 HydrophobicContact CB-CB 3.75Å; C202-C212 WeakPolarHBondContact CB-SG 3.46Å; C202-C212 WeakPolarHBondContact SG-CB 3.4Å; C202-C212 CovalentContact SG-SG 2.04Å; C202-C212 PolarHBondContact SG-SG 3Å; A206-C212 VanDerWaalsContact CB-SG 3.5Å; C208-C212 HydrophobicContact CB-CB 4.06Å; C208-C212 VanDerWaalsContact SG-CB 3.53Å; C208-C212 VanDerWaalsContact SG-SG 3.68Å |
| 213 | Y | 95.5 | Very high | 93.8 | Very high | 92 Ų | 92 | 70.5 Ų | 70.5 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 117.9 | 174.5 | -67.8 | -85.9 | 0 | 0 | 0 | 109.3 | C202 R211 F219 L220 R222 | C202-Y213 VanDerWaalsContact SG-C 3.51Å; C202-Y213 PolarHBondContact SG-N 3.05Å; R211-Y213 HydrophobicContact CB-CE2 3.79Å; R211-Y213 PolarHBondContact NH1-OH 3.17Å; Y213-F219 CarbonylContact O-C 3.53Å; Y213-F219 WeakPolarHBondContact O-CA 3.29Å; Y213-L220 PolarHBondContact N-O 2.89Å; Y213-L220 PolarHBondContact O-N 3.41Å; Y213-R222 HydrophobicContact CD2-CB 4.16Å; Y213-R222 HydrophobicContact CD2-CG 3.83Å; Y213-R222 HydrophobicContact CE2-CB 3.85Å; Y213-R222 HydrophobicContact CE2-CG 3.91Å |
| 214 | N | 94.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 67.6 Ų | 67.6 | 32% | 0.316 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 135.9 | 173.9 | -167.2 | 48.8 | 0 | 0 | 0 | 110.2 | D198 V199 N200 E201 C202 | D198-N214 PolarHBondContact OD2-ND2 2.85Å; V199-N214 PolarHBondContact O-OD1 3.14Å; N200-N214 WeakPolarHBondContact CA-OD1 3.41Å; N200-N214 WeakPolarHBondContact OD1-CB 3.43Å; E201-N214 PolarHBondContact OE2-OD1 3.28Å; C202-N214 PolarHBondContact SG-N 3.13Å; C202-N214 VanDerWaalsContact SG-N 3.35Å |
| 215 | T | 93.7 | Very high | 94.1 | Very high | 57 Ų | 57 | 70.3 Ų | 70.3 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 168.9 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | G217 T218 | T215-G217 PolarHBondContact O-N 3.28Å; T215-G217 VanDerWaalsContact O-N 3.12Å; T215-T218 CarbonylContact C-O 3.59Å; T215-T218 VanDerWaalsContact CA-O 3.25Å; T215-T218 WeakPolarHBondContact CA-O 3.09Å; T215-T218 WeakPolarHBondContact CB-O 3.46Å; T215-T218 PolarHBondContact N-O 3.06Å; T215-T218 PolarHBondContact O-N 3.48Å; T215-T218 VanDerWaalsContact OG1-C 3.25Å; T215-T218 WeakPolarHBondContact OG1-CG2 3.46Å; T215-T218 PolarHBondContact OG1-O 2.02Å |
| 216 | Y | 93.2 | Very high | 94.3 | Very high | 160 Ų | 160 | 67.9 Ų | 67.9 | 63% | 0.627 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 114.8 | -177.7 | -171.4 | -94.8 | 0 | 0 | 0 | 110.8 | F187 T218 | F187-Y216 HydrophobicContact CE1-CD1 4.21Å; F187-Y216 HydrophobicContact CE1-CD2 4.03Å; F187-Y216 AromaticContact CE1-CE1 3.75Å; F187-Y216 HydrophobicContact CE1-CE1 3.75Å; F187-Y216 AromaticContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CG 4.34Å; F187-Y216 AromaticContact CE1-CZ 3.38Å; F187-Y216 HydrophobicContact CE2-CE1 4.4Å; F187-Y216 AromaticContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD2 4.28Å; F187-Y216 AromaticContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE2 4.01Å; F187-Y216 HydrophobicContact CZ-CG 4.12Å; F187-Y216 AromaticContact CZ-CZ 3.52Å; Y216-T218 VanDerWaalsContact C-N 3.34Å |
| 217 | G | 90.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 69.6 Ų | 69.6 | 24% | 0.237 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 3.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | D198 T215 | D198-G217 PolarHBondContact OD1-N 3.38Å; T215-G217 PolarHBondContact O-N 3.28Å; T215-G217 VanDerWaalsContact O-N 3.12Å |
| 218 | T | 92.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170 | -177.2 | -179 | -169 | 0 | 0 | 0 | 0 | 110.8 | E201 T215 Y216 | E201-T218 VanDerWaalsContact OE2-C 3.31Å; T215-T218 CarbonylContact C-O 3.59Å; T215-T218 VanDerWaalsContact CA-O 3.25Å; T215-T218 WeakPolarHBondContact CA-O 3.09Å; T215-T218 WeakPolarHBondContact CB-O 3.46Å; T215-T218 PolarHBondContact N-O 3.06Å; T215-T218 PolarHBondContact O-N 3.48Å; T215-T218 VanDerWaalsContact OG1-C 3.25Å; T215-T218 WeakPolarHBondContact OG1-CG2 3.46Å; T215-T218 PolarHBondContact OG1-O 2.02Å; Y216-T218 VanDerWaalsContact C-N 3.34Å |
| 219 | F | 93.9 | Very high | 94.9 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 19% | 0.193 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 164 | 172.5 | 67.5 | -76.7 | 0 | 0 | 0 | 111.6 | E201 A206 P207 Y213 F234 | E201-F219 HydrophobicContact CB-CB 4.18Å; E201-F219 HydrophobicContact CB-CD1 3.51Å; E201-F219 HydrophobicContact CB-CE1 4.15Å; E201-F219 HydrophobicContact CB-CG 3.96Å; E201-F219 HydrophobicContact CG-CD1 3.75Å; E201-F219 HydrophobicContact CG-CE1 4.32Å; A206-F219 HydrophobicContact CB-CD2 3.75Å; A206-F219 HydrophobicContact CB-CE2 3.73Å; A206-F219 HydrophobicContact CB-CG 4.26Å; A206-F219 HydrophobicContact CB-CZ 4.22Å; P207-F219 HydrophobicContact CG-CE2 4.27Å; P207-F219 HydrophobicContact CG-CZ 3.98Å; Y213-F219 CarbonylContact O-C 3.53Å; Y213-F219 WeakPolarHBondContact O-CA 3.29Å; F219-F234 HydrophobicContact CE2-CD1 4.17Å; F219-F234 AromaticContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CZ-CD1 4.43Å; F219-F234 AromaticContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CZ 4.33Å |
| 220 | L | 93.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.1 | 175.1 | 178.2 | 66.4 | 0 | 0 | 0 | 110.2 | Y213 R222 | Y213-L220 PolarHBondContact N-O 2.89Å; Y213-L220 PolarHBondContact O-N 3.41Å; L220-R222 HydrophobicContact CD2-CG 4.29Å; L220-R222 HydrophobicContact CG-CG 4.35Å |
| 221 | C | 96 | Very high | 94.7 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 144.1 | 168.4 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | C208 R211 L229 G233 F234 | C208-C221 WeakPolarHBondContact CA-SG 3.48Å; C208-C221 HydrophobicContact CB-CB 3.7Å; C208-C221 WeakPolarHBondContact CB-SG 3.04Å; C208-C221 WeakPolarHBondContact SG-CA 3.06Å; C208-C221 WeakPolarHBondContact SG-CB 3.39Å; C208-C221 CovalentContact SG-SG 2.02Å; C208-C221 PolarHBondContact SG-SG 3.4Å; R211-C221 CarbonylContact O-C 3.52Å; R211-C221 VanDerWaalsContact O-CA 3.3Å; R211-C221 WeakPolarHBondContact O-CA 3.08Å; C221-L229 HydrophobicContact CB-CD1 4.17Å; C221-G233 WeakPolarHBondContact CB-O 3.02Å; C221-F234 VanDerWaalsContact SG-CD1 3.59Å |
| 222 | R | 95.8 | Very high | 94.5 | Very high | 134 Ų | 134 | 71.4 Ų | 71.4 | 51% | 0.506 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.6 | 170.9 | -61 | -172.1 | 176.3 | -173.8 | -0.6 | 110.4 | R211 Y213 L220 | R211-R222 WeakPolarHBondContact CB-O 3.39Å; R211-R222 PolarHBondContact N-O 2.76Å; R211-R222 VanDerWaalsContact N-O 3.1Å; R211-R222 PolarHBondContact O-N 2.7Å; Y213-R222 HydrophobicContact CD2-CB 4.16Å; Y213-R222 HydrophobicContact CD2-CG 3.83Å; Y213-R222 HydrophobicContact CE2-CB 3.85Å; Y213-R222 HydrophobicContact CE2-CG 3.91Å; L220-R222 HydrophobicContact CD2-CG 4.29Å; L220-R222 HydrophobicContact CG-CG 4.35Å |
| 223 | C | 97 | Very high | 94.3 | Very high | 18 Ų | 18 | 70.9 Ų | 70.9 | 12% | 0.122 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 147.3 | 179 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | Q210 R211 L229 C236 | Q210-C223 VanDerWaalsContact OE1-CA 3.22Å; R211-C223 PolarHBondContact NH2-O 2.93Å; C223-L229 VanDerWaalsContact SG-CA 3.58Å; C223-L229 VanDerWaalsContact SG-CD1 3.59Å; C223-C236 WeakPolarHBondContact CA-SG 3.36Å; C223-C236 HydrophobicContact CB-CB 3.69Å; C223-C236 WeakPolarHBondContact CB-SG 3.46Å; C223-C236 WeakPolarHBondContact SG-CA 3.42Å; C223-C236 WeakPolarHBondContact SG-CB 3.4Å; C223-C236 CovalentContact SG-SG 2.03Å; C223-C236 PolarHBondContact SG-SG 2.03Å |
| 224 | D | 96.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 165.3 | 171.6 | -66.8 | -25.6 | 0 | 0 | 0 | 111.3 | R211 G226 Y227 | R211-D224 WeakPolarHBondContact CD-OD1 3.41Å; R211-D224 IonicContact CZ-OD1 2.74Å; R211-D224 IonicContact NE-OD1 3.46Å; R211-D224 PolarHBondContact NE-OD1 2.85Å; R211-D224 IonicContact NH2-OD1 3.99Å; D224-G226 PolarHBondContact O-N 2.81Å; D224-Y227 HydrophobicContact CB-CD2 4.34Å; D224-Y227 PolarHBondContact O-N 3.17Å; D224-Y227 VanDerWaalsContact O-N 3.15Å |
| 225 | Q | 95.2 | Very high | 94.3 | Very high | 187 Ų | 187 | 68.4 Ų | 68.4 | 87% | 0.874 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.8 | 178.2 | -173.6 | 177.4 | -2.1 | 0 | 0 | 110.2 | ||
| 226 | G | 94.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 65.9 Ų | 65.9 | 13% | 0.134 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 2.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D224 I239 | D224-G226 PolarHBondContact O-N 2.81Å; G226-I239 WeakPolarHBondContact O-CB 3.44Å; G226-I239 PolarHBondContact O-N 3.42Å |
| 227 | Y | 96.8 | Very high | 94.5 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.8 | 176.8 | -64.9 | -96.5 | 0 | 0 | 0 | 111.3 | D224 C236 N237 D238 P257 G258 | D224-Y227 HydrophobicContact CB-CD2 4.34Å; D224-Y227 PolarHBondContact O-N 3.17Å; D224-Y227 VanDerWaalsContact O-N 3.15Å; Y227-C236 HydrophobicContact CD1-CB 4.39Å; Y227-N237 CarbonylContact C-O 3.56Å; Y227-N237 WeakPolarHBondContact CA-O 3.37Å; Y227-D238 HydrophobicContact CD1-CB 4.26Å; Y227-D238 HydrophobicContact CE1-CB 4.04Å; Y227-P257 VanDerWaalsContact OH-C 3.25Å; Y227-P257 WeakPolarHBondContact OH-CB 3.2Å; Y227-G258 PolarHBondContact OH-N 3.28Å |
| 228 | E | 95 | Very high | 94.8 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.2 | 172.2 | 63 | 173.5 | -175 | 0 | 0 | 111.6 | G230 C236 N237 I239 | E228-G230 PolarHBondContact O-N 3.45Å; E228-C236 WeakPolarHBondContact O-CA 3.02Å; E228-N237 HydrophobicContact CG-CB 4.31Å; E228-N237 PolarHBondContact N-O 3.15Å; E228-N237 PolarHBondContact O-N 3.27Å; E228-I239 HydrophobicContact CB-CD1 4.2Å; E228-I239 HydrophobicContact CB-CG1 3.96Å; E228-I239 HydrophobicContact CG-CG1 4.07Å |
| 229 | L | 96.1 | Very high | 95 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 125.9 | 179 | -167.4 | 70.7 | 0 | 0 | 0 | 109.4 | C221 C223 | C221-L229 HydrophobicContact CB-CD1 4.17Å; C223-L229 VanDerWaalsContact SG-CA 3.58Å; C223-L229 VanDerWaalsContact SG-CD1 3.59Å |
| 230 | G | 93.5 | Very high | 95 | Very high | 7 Ų | 7 | 62.9 Ų | 62.9 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | trans | -63.1 | 164.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E228 D232 G233 A235 | E228-G230 PolarHBondContact O-N 3.45Å; G230-D232 PolarHBondContact O-N 2.94Å; G230-G233 PolarHBondContact O-N 3.13Å; G230-A235 PolarHBondContact N-O 3.21Å | ||
| 231 | P | 93.2 | Very high | 95 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 94% | 0.935 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.1 | 179.6 | 28.3 | -35.6 | 0 | 0 | 0 | 113.3 | ||
| 232 | D | 91.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.9 | 172 | 64.6 | -20.8 | 0 | 0 | 0 | 112.8 | G230 F234 A235 | G230-D232 PolarHBondContact O-N 2.94Å; D232-F234 HydrophobicContact CB-CD2 4.29Å; D232-F234 WeakPolarHBondContact O-CD2 3.32Å; D232-F234 VanDerWaalsContact O-CE2 3.25Å; D232-F234 WeakPolarHBondContact O-CE2 3.36Å; D232-F234 PolarHBondContact O-N 2.88Å; D232-F234 PolarHBondContact OD1-N 3.45Å; D232-A235 PolarHBondContact OD1-N 3.46Å; D232-A235 VanDerWaalsContact OD1-N 3.13Å; D232-A235 WeakPolarHBondContact OD2-CB 3.19Å; D232-A235 PolarHBondContact OD2-N 2.79Å |
| 233 | G | 92.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 60 Ų | 60 | 27% | 0.268 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 76.2 | 9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | C221 G230 | C221-G233 WeakPolarHBondContact CB-O 3.02Å; G230-G233 PolarHBondContact O-N 3.13Å |
| 234 | F | 93.5 | Very high | 94.3 | Very high | 77 Ų | 77 | 66.5 Ų | 66.5 | 34% | 0.338 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -129.3 | -41.8 | -172.6 | -56.6 | -55.5 | 0 | 0 | 0 | 113.2 | P207 Q209 F219 C221 D232 | P207-F234 HydrophobicContact CB-CD1 4.39Å; P207-F234 HydrophobicContact CB-CG 4.4Å; P207-F234 HydrophobicContact CG-CD1 3.67Å; P207-F234 HydrophobicContact CG-CD2 4.44Å; P207-F234 HydrophobicContact CG-CE1 3.71Å; P207-F234 HydrophobicContact CG-CE2 4.46Å; P207-F234 HydrophobicContact CG-CG 4.07Å; P207-F234 HydrophobicContact CG-CZ 4.12Å; Q209-F234 PolarHBondContact N-O 3.09Å; Q209-F234 VanDerWaalsContact N-O 3.09Å; F219-F234 HydrophobicContact CE2-CD1 4.17Å; F219-F234 AromaticContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CZ-CD1 4.43Å; F219-F234 AromaticContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CZ 4.33Å; C221-F234 VanDerWaalsContact SG-CD1 3.59Å; D232-F234 HydrophobicContact CB-CD2 4.29Å; D232-F234 WeakPolarHBondContact O-CD2 3.32Å; D232-F234 VanDerWaalsContact O-CE2 3.25Å; D232-F234 WeakPolarHBondContact O-CE2 3.36Å; D232-F234 PolarHBondContact O-N 2.88Å; D232-F234 PolarHBondContact OD1-N 3.45Å |
| 235 | A | 95.2 | Very high | 93.7 | Very high | 22 Ų | 22 | 65.1 Ų | 65.1 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | trans | -76.2 | 147.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G230 D232 | G230-A235 PolarHBondContact N-O 3.21Å; D232-A235 PolarHBondContact OD1-N 3.46Å; D232-A235 VanDerWaalsContact OD1-N 3.13Å; D232-A235 WeakPolarHBondContact OD2-CB 3.19Å; D232-A235 PolarHBondContact OD2-N 2.79Å | ||
| 236 | C | 96.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 107.5 | 174.3 | -69.5 | 0 | 0 | 0 | 0 | 108.6 | Q209 Q210 C223 Y227 E228 | Q209-C236 PolarHBondContact OE1-O 3.21Å; Q210-C236 VanDerWaalsContact CD-CB 3.45Å; Q210-C236 HydrophobicContact CG-CB 3.99Å; C223-C236 WeakPolarHBondContact CA-SG 3.36Å; C223-C236 HydrophobicContact CB-CB 3.69Å; C223-C236 WeakPolarHBondContact CB-SG 3.46Å; C223-C236 WeakPolarHBondContact SG-CA 3.42Å; C223-C236 WeakPolarHBondContact SG-CB 3.4Å; C223-C236 CovalentContact SG-SG 2.03Å; C223-C236 PolarHBondContact SG-SG 2.03Å; Y227-C236 HydrophobicContact CD1-CB 4.39Å; E228-C236 WeakPolarHBondContact O-CA 3.02Å |
| 237 | N | 95.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 70.1 Ų | 70.1 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 138.3 | 179.7 | -61.3 | -44.7 | 0 | 0 | 0 | 109.3 | Y227 E228 | Y227-N237 CarbonylContact C-O 3.56Å; Y227-N237 WeakPolarHBondContact CA-O 3.37Å; E228-N237 HydrophobicContact CG-CB 4.31Å; E228-N237 PolarHBondContact N-O 3.15Å; E228-N237 PolarHBondContact O-N 3.27Å |
| 238 | D | 97 | Very high | 92.3 | Very high | 50 Ų | 50 | 69 Ų | 69 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 133.9 | 175.1 | -176.9 | 58.8 | 0 | 0 | 0 | 110.5 | Y227 D240 N255 P257 G258 | Y227-D238 HydrophobicContact CD1-CB 4.26Å; Y227-D238 HydrophobicContact CE1-CB 4.04Å; D238-D240 PolarHBondContact O-N 2.87Å; D238-N255 PolarHBondContact OD2-ND2 3.1Å; D238-P257 WeakPolarHBondContact OD1-CA 3.09Å; D238-G258 PolarHBondContact OD1-N 3.49Å |
| 239 | I | 95.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.226 | 36% | 0.357 | C | S | . | . | trans | -83.4 | 110.1 | 176.9 | -62.4 | 172.9 | 0 | 0 | 0 | 107.3 | G226 E228 E241 Y244 | G226-I239 WeakPolarHBondContact O-CB 3.44Å; G226-I239 PolarHBondContact O-N 3.42Å; E228-I239 HydrophobicContact CB-CD1 4.2Å; E228-I239 HydrophobicContact CB-CG1 3.96Å; E228-I239 HydrophobicContact CG-CG1 4.07Å; I239-E241 VanDerWaalsContact C-N 3.35Å; I239-E241 HydrophobicContact CG2-CG 4.33Å; I239-E241 PolarHBondContact O-N 3.27Å; I239-Y244 HydrophobicContact CG2-CD2 4.22Å; I239-Y244 HydrophobicContact CG2-CE2 3.56Å | ||
| 240 | D | 95.1 | Very high | 91.9 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 35% | 0.348 | 35% | 0.353 | S | S | . | . | trans | -73.2 | 88.1 | 175.6 | -176.1 | -15.3 | 0 | 0 | 0 | 110.8 | D238 C242 S243 Y244 | D238-D240 PolarHBondContact O-N 2.87Å; D240-C242 PolarHBondContact O-N 3.14Å; D240-C242 WeakPolarHBondContact OD1-CB 3.44Å; D240-C242 PolarHBondContact OD1-N 2.68Å; D240-C242 VanDerWaalsContact OD1-N 3.13Å; D240-S243 WeakPolarHBondContact O-CB 3.02Å; D240-S243 PolarHBondContact O-N 2.86Å; D240-S243 VanDerWaalsContact O-N 3.09Å; D240-S243 PolarHBondContact O-OG 2.81Å; D240-S243 PolarHBondContact OD1-N 2.02Å; D240-Y244 WeakPolarHBondContact O-CD2 3.49Å | ||
| 241 | E | 94.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 68.1 Ų | 68.1 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62 | -33 | -177.2 | -57.5 | 101.7 | 152.4 | 0 | 0 | 111.6 | I239 S243 Y244 L248 N255 K259 F260 | I239-E241 VanDerWaalsContact C-N 3.35Å; I239-E241 HydrophobicContact CG2-CG 4.33Å; I239-E241 PolarHBondContact O-N 3.27Å; E241-S243 PolarHBondContact O-N 2.72Å; E241-Y244 PolarHBondContact O-N 3.41Å; E241-L248 VanDerWaalsContact C-CD1 3.45Å; E241-L248 HydrophobicContact CB-CD1 3.86Å; E241-L248 WeakPolarHBondContact O-CD1 3.22Å; E241-N255 PolarHBondContact OE2-OD1 3.42Å; E241-K259 VanDerWaalsContact OE2-C 3.3Å; E241-F260 HydrophobicContact CB-CB 4.26Å; E241-F260 HydrophobicContact CB-CD1 3.68Å; E241-F260 HydrophobicContact CB-CE1 4.33Å; E241-F260 HydrophobicContact CB-CG 4.13Å; E241-F260 HydrophobicContact CG-CD1 3.84Å; E241-F260 HydrophobicContact CG-CE1 4.46Å; E241-F260 WeakPolarHBondContact OE2-CB 3Å; E241-F260 PolarHBondContact OE2-N 2.73Å |
| 242 | C | 94.2 | Very high | 91.8 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -26.5 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | D240 C253 V254 N255 | D240-C242 PolarHBondContact O-N 3.14Å; D240-C242 WeakPolarHBondContact OD1-CB 3.44Å; D240-C242 PolarHBondContact OD1-N 2.68Å; D240-C242 VanDerWaalsContact OD1-N 3.13Å; C242-C253 WeakPolarHBondContact CA-SG 3.28Å; C242-C253 HydrophobicContact CB-CB 3.74Å; C242-C253 WeakPolarHBondContact CB-SG 3.41Å; C242-C253 WeakPolarHBondContact SG-CB 3.17Å; C242-C253 CovalentContact SG-SG 2.04Å; C242-C253 PolarHBondContact SG-SG 3.46Å; C242-V254 PolarHBondContact SG-N 2.97Å; C242-V254 VanDerWaalsContact SG-N 3.39Å; C242-N255 PolarHBondContact SG-N 2.04Å |
| 243 | S | 93.4 | Very high | 92 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75 | -26.4 | 174.3 | 77.7 | 0 | 0 | 0 | 0 | 113.6 | D240 E241 | D240-S243 WeakPolarHBondContact O-CB 3.02Å; D240-S243 PolarHBondContact O-N 2.86Å; D240-S243 VanDerWaalsContact O-N 3.09Å; D240-S243 PolarHBondContact O-OG 2.81Å; D240-S243 PolarHBondContact OD1-N 2.02Å; E241-S243 PolarHBondContact O-N 2.72Å |
| 244 | Y | 86.8 | Confident | 92.1 | Very high | 153 Ų | 153 | 64.2 Ų | 64.2 | 60% | 0.6 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -78.3 | -35 | -177.1 | -76.5 | -84.7 | 0 | 0 | 0 | 113.3 | I239 D240 E241 | I239-Y244 HydrophobicContact CG2-CD2 4.22Å; I239-Y244 HydrophobicContact CG2-CE2 3.56Å; D240-Y244 WeakPolarHBondContact O-CD2 3.49Å; E241-Y244 PolarHBondContact O-N 3.41Å |
| 245 | S | 83.6 | Confident | 92.2 | Very high | 43 Ų | 43 | 63 Ų | 63 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | trans | -153.7 | 124.4 | -177.5 | 177 | 0 | 0 | 0 | 0 | 112.9 | Y247 | S245-Y247 PolarHBondContact O-N 3.41Å; S245-Y247 PolarHBondContact OG-N 3.45Å | ||
| 246 | S | 81.7 | Confident | 92.2 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 70% | 0.699 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -9.4 | 172.6 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 247 | Y | 85.3 | Confident | 92.1 | Very high | 206 Ų | 206 | 69.5 Ų | 69.5 | 81% | 0.808 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 8.6 | -176.6 | -54.9 | -72.6 | 0 | 0 | 0 | 113.5 | S245 C249 | S245-Y247 PolarHBondContact O-N 3.41Å; S245-Y247 PolarHBondContact OG-N 3.45Å; Y247-C249 VanDerWaalsContact C-N 3.34Å |
| 248 | L | 89.6 | Confident | 92 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -66.5 | -36.2 | 178.4 | -78.1 | 168 | 0 | 0 | 0 | 112.9 | E241 F260 R274 | E241-L248 VanDerWaalsContact C-CD1 3.45Å; E241-L248 HydrophobicContact CB-CD1 3.86Å; E241-L248 WeakPolarHBondContact O-CD1 3.22Å; L248-F260 HydrophobicContact CB-CE2 4.02Å; L248-F260 HydrophobicContact CB-CZ 4.41Å; L248-F260 HydrophobicContact CD2-CE1 4.36Å; L248-F260 HydrophobicContact CD2-CE2 4.35Å; L248-F260 HydrophobicContact CD2-CZ 3.88Å; L248-R274 WeakPolarHBondContact O-CD 3.3Å; L248-R274 VanDerWaalsContact O-CG 3.3Å; L248-R274 WeakPolarHBondContact O-CG 3.2Å |
| 249 | C | 92.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -121.3 | 148.6 | -180 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | Y247 F251 C253 C262 | Y247-C249 VanDerWaalsContact C-N 3.34Å; C249-F251 VanDerWaalsContact C-N 3.28Å; C249-F251 PolarHBondContact O-N 3.4Å; C249-C253 HydrophobicContact CB-CB 4.2Å; C249-C253 VanDerWaalsContact SG-CA 3.52Å; C249-C253 VanDerWaalsContact SG-CB 3.59Å; C249-C262 WeakPolarHBondContact CA-SG 3.38Å; C249-C262 HydrophobicContact CB-CB 3.63Å; C249-C262 WeakPolarHBondContact CB-SG 3.25Å; C249-C262 WeakPolarHBondContact SG-CA 3.38Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.02Å; C249-C262 PolarHBondContact SG-SG 3.4Å |
| 250 | Q | 90.7 | Very high | 91.8 | Very high | 66 Ų | 66 | 70 Ų | 70 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -68.7 | -28.8 | 177.9 | -161.2 | 179.6 | 4 | 0 | 0 | 112.5 | R274 L275 C276 F438 | Q250-R274 VanDerWaalsContact CB-O 3.32Å; Q250-R274 WeakPolarHBondContact CB-O 3.35Å; Q250-R274 PolarHBondContact N-O 3.21Å; Q250-L275 HydrophobicContact CB-CD2 4.41Å; Q250-L275 HydrophobicContact CG-CD2 4.5Å; Q250-L275 VanDerWaalsContact OE1-CA 3.22Å; Q250-C276 PolarHBondContact OE1-O 3.08Å; Q250-F438 HydrophobicContact CB-CD1 4.38Å; Q250-F438 VanDerWaalsContact CD-CD1 3.42Å; Q250-F438 HydrophobicContact CG-CD1 3.46Å; Q250-F438 VanDerWaalsContact CG-CD1 3.46Å; Q250-F438 HydrophobicContact CG-CE1 3.89Å; Q250-F438 HydrophobicContact CG-CG 4.37Å; Q250-F438 VanDerWaalsContact NE2-CA 3.26Å; Q250-F438 PolarHBondContact NE2-OXT 2.82Å; Q250-F438 VanDerWaalsContact NE2-OXT 3.12Å; Q250-F438 WeakPolarHBondContact O-CE1 3.36Å |
| 251 | F | 91.5 | Very high | 91.8 | Very high | 80 Ų | 80 | 68.5 Ų | 68.5 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -121.6 | -80.8 | 176.9 | -177 | -118.2 | 0 | 0 | 0 | 113.1 | C249 Q263 P265 Y436 F438 | C249-F251 VanDerWaalsContact C-N 3.28Å; C249-F251 PolarHBondContact O-N 3.4Å; F251-Q263 WeakPolarHBondContact CD1-O 3.39Å; F251-P265 HydrophobicContact CD1-CB 4.13Å; F251-P265 VanDerWaalsContact CD1-CD 3.47Å; F251-P265 HydrophobicContact CD1-CG 4.02Å; F251-P265 HydrophobicContact CD2-CG 4.37Å; F251-P265 HydrophobicContact CE1-CB 3.77Å; F251-P265 HydrophobicContact CE1-CG 4.12Å; F251-P265 HydrophobicContact CE2-CG 4.46Å; F251-P265 HydrophobicContact CG-CG 4.13Å; F251-P265 HydrophobicContact CZ-CB 4.01Å; F251-P265 HydrophobicContact CZ-CG 4.33Å; F251-Y436 HydrophobicContact CD2-CD1 4.28Å; F251-Y436 HydrophobicContact CD2-CE1 4.06Å; F251-Y436 HydrophobicContact CE2-CD1 4.04Å; F251-Y436 AromaticContact CE2-CE1 3.38Å; F251-Y436 HydrophobicContact CE2-CE1 3.38Å; F251-Y436 AromaticContact CE2-CZ 3.81Å; F251-Y436 HydrophobicContact CZ-CE1 4.06Å; F251-F438 HydrophobicContact CB-CE1 4.1Å; F251-F438 HydrophobicContact CB-CE2 4.35Å; F251-F438 HydrophobicContact CB-CZ 3.59Å; F251-F438 AromaticContact CD2-CZ 3.68Å; F251-F438 HydrophobicContact CD2-CZ 3.68Å; F251-F438 AromaticContact CG-CZ 3.89Å; F251-F438 HydrophobicContact CG-CZ 3.89Å |
| 252 | Q | 92.8 | Very high | 91.9 | Very high | 95 Ų | 95 | 67.4 Ų | 67.4 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.2 | -174.9 | -175.8 | 174.2 | -6.8 | 0 | 0 | 110.9 | V254 C262 Q263 | Q252-V254 HydrophobicContact CG-CG2 4.38Å; Q252-C262 CarbonylContact O-C 3.59Å; Q252-C262 WeakPolarHBondContact O-CA 2.98Å; Q252-Q263 HydrophobicContact CB-CB 4.44Å; Q252-Q263 PolarHBondContact N-O 2.87Å; Q252-Q263 PolarHBondContact O-N 2.86Å |
| 253 | C | 95.4 | Very high | 91.9 | Very high | 34 Ų | 34 | 70.5 Ų | 70.5 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.1 | 170.9 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | C242 C249 | C242-C253 WeakPolarHBondContact CA-SG 3.28Å; C242-C253 HydrophobicContact CB-CB 3.74Å; C242-C253 WeakPolarHBondContact CB-SG 3.41Å; C242-C253 WeakPolarHBondContact SG-CB 3.17Å; C242-C253 CovalentContact SG-SG 2.04Å; C242-C253 PolarHBondContact SG-SG 3.46Å; C249-C253 HydrophobicContact CB-CB 4.2Å; C249-C253 VanDerWaalsContact SG-CA 3.52Å; C249-C253 VanDerWaalsContact SG-CB 3.59Å |
| 254 | V | 94.9 | Very high | 91.9 | Very high | 41 Ų | 41 | 68 Ų | 68 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 117.7 | 174 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | C242 Q252 F260 S261 Q263 | C242-V254 PolarHBondContact SG-N 2.97Å; C242-V254 VanDerWaalsContact SG-N 3.39Å; Q252-V254 HydrophobicContact CG-CG2 4.38Å; V254-F260 WeakPolarHBondContact O-CA 3.44Å; V254-S261 PolarHBondContact N-O 3.34Å; V254-S261 PolarHBondContact O-N 3.17Å; V254-Q263 HydrophobicContact CG2-CG 3.94Å |
| 255 | N | 95 | Very high | 92.3 | Very high | 51 Ų | 51 | 61.2 Ų | 61.2 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.2 | 177.5 | -171.7 | 44 | 0 | 0 | 0 | 110.2 | D238 E241 C242 | D238-N255 PolarHBondContact OD2-ND2 3.1Å; E241-N255 PolarHBondContact OE2-OD1 3.42Å; C242-N255 PolarHBondContact SG-N 2.04Å |
| 256 | E | 94.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 68.2 Ų | 68.2 | 29% | 0.29 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 159.2 | 177 | -52.9 | -176.8 | 111.3 | 0 | 0 | 109.4 | G258 K259 | E256-G258 PolarHBondContact O-N 3.35Å; E256-K259 CarbonylContact C-O 3.51Å; E256-K259 VanDerWaalsContact CA-O 3.22Å; E256-K259 WeakPolarHBondContact CA-O 3.07Å; E256-K259 HydrophobicContact CB-CG 4.15Å; E256-K259 VanDerWaalsContact CB-O 3.28Å; E256-K259 WeakPolarHBondContact CB-O 3.44Å; E256-K259 PolarHBondContact N-O 2.82Å; E256-K259 CarbonylContact O-C 3.59Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.12Å; E256-K259 WeakPolarHBondContact OE2-CE 2.95Å; E256-K259 IonicContact OE2-NZ 3.47Å; E256-K259 PolarHBondContact OE2-NZ 3.06Å |
| 257 | P | 95 | Very high | 93.1 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 66% | 0.662 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 114.2 | 178.6 | -25.1 | 35.3 | 0 | 0 | 0 | 112.8 | Y227 D238 | Y227-P257 VanDerWaalsContact OH-C 3.25Å; Y227-P257 WeakPolarHBondContact OH-CB 3.2Å; D238-P257 WeakPolarHBondContact OD1-CA 3.09Å |
| 258 | G | 93.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 55 Ų | 55 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 4.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y227 D238 E256 | Y227-G258 PolarHBondContact OH-N 3.28Å; D238-G258 PolarHBondContact OD1-N 3.49Å; E256-G258 PolarHBondContact O-N 3.35Å |
| 259 | K | 94.1 | Very high | 93.7 | Very high | 114 Ų | 114 | 58.3 Ų | 58.3 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 167.8 | -177.6 | 60.9 | 176.9 | 176.6 | 126 | 0 | 110.8 | E241 E256 | E241-K259 VanDerWaalsContact OE2-C 3.3Å; E256-K259 CarbonylContact C-O 3.51Å; E256-K259 VanDerWaalsContact CA-O 3.22Å; E256-K259 WeakPolarHBondContact CA-O 3.07Å; E256-K259 HydrophobicContact CB-CG 4.15Å; E256-K259 VanDerWaalsContact CB-O 3.28Å; E256-K259 WeakPolarHBondContact CB-O 3.44Å; E256-K259 PolarHBondContact N-O 2.82Å; E256-K259 CarbonylContact O-C 3.59Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.12Å; E256-K259 WeakPolarHBondContact OE2-CE 2.95Å; E256-K259 IonicContact OE2-NZ 3.47Å; E256-K259 PolarHBondContact OE2-NZ 3.06Å |
| 260 | F | 94.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 161.4 | 164 | 68.7 | -77 | 0 | 0 | 0 | 112.1 | E241 L248 V254 | E241-F260 HydrophobicContact CB-CB 4.26Å; E241-F260 HydrophobicContact CB-CD1 3.68Å; E241-F260 HydrophobicContact CB-CE1 4.33Å; E241-F260 HydrophobicContact CB-CG 4.13Å; E241-F260 HydrophobicContact CG-CD1 3.84Å; E241-F260 HydrophobicContact CG-CE1 4.46Å; E241-F260 WeakPolarHBondContact OE2-CB 3Å; E241-F260 PolarHBondContact OE2-N 2.73Å; L248-F260 HydrophobicContact CB-CE2 4.02Å; L248-F260 HydrophobicContact CB-CZ 4.41Å; L248-F260 HydrophobicContact CD2-CE1 4.36Å; L248-F260 HydrophobicContact CD2-CE2 4.35Å; L248-F260 HydrophobicContact CD2-CZ 3.88Å; V254-F260 WeakPolarHBondContact O-CA 3.44Å |
| 261 | S | 94 | Very high | 93.9 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.4 | 168.8 | 65.1 | 0 | 0 | 0 | 0 | 111 | V254 | V254-S261 PolarHBondContact N-O 3.34Å; V254-S261 PolarHBondContact O-N 3.17Å |
| 262 | C | 95.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.3 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | C249 Q252 L270 T273 | C249-C262 WeakPolarHBondContact CA-SG 3.38Å; C249-C262 HydrophobicContact CB-CB 3.63Å; C249-C262 WeakPolarHBondContact CB-SG 3.25Å; C249-C262 WeakPolarHBondContact SG-CA 3.38Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.02Å; C249-C262 PolarHBondContact SG-SG 3.4Å; Q252-C262 CarbonylContact O-C 3.59Å; Q252-C262 WeakPolarHBondContact O-CA 2.98Å; C262-L270 HydrophobicContact CB-CD1 3.79Å; C262-T273 PolarHBondContact SG-O 2.66Å; C262-T273 VanDerWaalsContact SG-O 3.38Å |
| 263 | Q | 94.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.8 | 175.5 | -64.6 | -173.6 | 9 | 0 | 0 | 109.6 | F251 Q252 V254 | F251-Q263 WeakPolarHBondContact CD1-O 3.39Å; Q252-Q263 HydrophobicContact CB-CB 4.44Å; Q252-Q263 PolarHBondContact N-O 2.87Å; Q252-Q263 PolarHBondContact O-N 2.86Å; V254-Q263 HydrophobicContact CG2-CG 3.94Å |
| 264 | C | 94.5 | Very high | 93.6 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 152.5 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | C276 | C264-C276 WeakPolarHBondContact CA-SG 3.02Å; C264-C276 HydrophobicContact CB-CB 3.84Å; C264-C276 WeakPolarHBondContact CB-SG 3.4Å; C264-C276 WeakPolarHBondContact SG-CA 3.33Å; C264-C276 WeakPolarHBondContact SG-CB 3.08Å; C264-C276 CovalentContact SG-SG 2.04Å; C264-C276 PolarHBondContact SG-SG 3.41Å |
| 265 | P | 93.4 | Very high | 93.4 | Very high | 12 Ų | 12 | 69 Ų | 69 | 8% | 0.078 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 169.1 | 175.6 | 25.7 | -24.4 | 0 | 0 | 0 | 111 | F251 Y268 Y436 F438 | F251-P265 HydrophobicContact CD1-CB 4.13Å; F251-P265 VanDerWaalsContact CD1-CD 3.47Å; F251-P265 HydrophobicContact CD1-CG 4.02Å; F251-P265 HydrophobicContact CD2-CG 4.37Å; F251-P265 HydrophobicContact CE1-CB 3.77Å; F251-P265 HydrophobicContact CE1-CG 4.12Å; F251-P265 HydrophobicContact CE2-CG 4.46Å; F251-P265 HydrophobicContact CG-CG 4.13Å; F251-P265 HydrophobicContact CZ-CB 4.01Å; F251-P265 HydrophobicContact CZ-CG 4.33Å; P265-Y268 HydrophobicContact CG-CD2 3.76Å; P265-Y268 HydrophobicContact CG-CE2 4.31Å; P265-Y268 HydrophobicContact CG-CG 4.3Å; P265-Y268 WeakPolarHBondContact O-CB 3.08Å; P265-Y268 PolarHBondContact O-N 3.12Å; P265-Y268 VanDerWaalsContact O-N 3.09Å; P265-Y436 HydrophobicContact CB-CD2 4.07Å; P265-Y436 HydrophobicContact CB-CE2 3.44Å; P265-Y436 VanDerWaalsContact CB-CE2 3.44Å; P265-Y436 HydrophobicContact CG-CD2 3.51Å; P265-Y436 HydrophobicContact CG-CE2 3.42Å; P265-Y436 VanDerWaalsContact CG-CE2 3.42Å; P265-Y436 HydrophobicContact CG-CG 4.15Å; P265-F438 HydrophobicContact CG-CE2 3.53Å; P265-F438 HydrophobicContact CG-CZ 4.2Å |
| 266 | E | 91.7 | Very high | 93.4 | Very high | 190 Ų | 190 | 66.8 Ų | 66.8 | 89% | 0.888 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 139.9 | 176.6 | -167.1 | 176.1 | -179 | 0 | 0 | 111.4 | Y268 | E266-Y268 VanDerWaalsContact C-N 3.27Å; E266-Y268 WeakPolarHBondContact O-CD2 3.3Å; E266-Y268 PolarHBondContact O-N 2.82Å |
| 267 | G | 91.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 68.2 Ų | 68.2 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -0 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I279 | G267-I279 WeakPolarHBondContact O-CB 3.48Å; G267-I279 PolarHBondContact O-N 3.31Å |
| 268 | Y | 93.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 145.1 | 176.9 | -63.4 | -99 | 0 | 0 | 0 | 111.6 | P265 E266 Q277 D278 G300 Y436 F438 | P265-Y268 HydrophobicContact CG-CD2 3.76Å; P265-Y268 HydrophobicContact CG-CE2 4.31Å; P265-Y268 HydrophobicContact CG-CG 4.3Å; P265-Y268 WeakPolarHBondContact O-CB 3.08Å; P265-Y268 PolarHBondContact O-N 3.12Å; P265-Y268 VanDerWaalsContact O-N 3.09Å; E266-Y268 VanDerWaalsContact C-N 3.27Å; E266-Y268 WeakPolarHBondContact O-CD2 3.3Å; E266-Y268 PolarHBondContact O-N 2.82Å; Y268-Q277 CarbonylContact C-O 3.42Å; Y268-Q277 VanDerWaalsContact CA-O 3.29Å; Y268-Q277 WeakPolarHBondContact CA-O 3.25Å; Y268-D278 HydrophobicContact CD1-CB 4.29Å; Y268-D278 HydrophobicContact CE1-CB 4.09Å; Y268-G300 PolarHBondContact OH-N 2.72Å; Y268-Y436 AromaticContact CE2-CD2 3.88Å; Y268-Y436 HydrophobicContact CE2-CD2 3.88Å; Y268-F438 AromaticContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CE2 4.45Å; Y268-F438 HydrophobicContact CE1-CB 4.42Å; Y268-F438 AromaticContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CG-CD2 4.16Å |
| 269 | Q | 93.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 65.5 Ų | 65.5 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152 | 175 | 60.8 | 179.4 | -16.8 | 0 | 0 | 111.5 | L271 C276 Q277 I279 | Q269-L271 PolarHBondContact O-N 3.16Å; Q269-C276 WeakPolarHBondContact O-CA 3.41Å; Q269-Q277 PolarHBondContact N-O 2.73Å; Q269-Q277 PolarHBondContact O-N 3.32Å; Q269-I279 HydrophobicContact CB-CD1 4.13Å; Q269-I279 HydrophobicContact CB-CG1 3.88Å; Q269-I279 HydrophobicContact CG-CG1 3.88Å |
| 270 | L | 94.9 | Very high | 93.2 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 113.6 | 178.2 | -166.2 | 74.7 | 0 | 0 | 0 | 110.1 | C262 L275 | C262-L270 HydrophobicContact CB-CD1 3.79Å; L270-L275 CarbonylContact C-O 3.58Å; L270-L275 WeakPolarHBondContact CA-O 3.06Å; L270-L275 WeakPolarHBondContact CD1-O 3.44Å |
| 271 | L | 93 | Very high | 93.2 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 110.3 | 171.5 | -175.6 | 66 | 0 | 0 | 0 | 109.4 | Q269 T273 L275 Q277 | Q269-L271 PolarHBondContact O-N 3.16Å; L271-T273 PolarHBondContact O-N 3.33Å; L271-L275 HydrophobicContact CB-CB 4.4Å; L271-L275 PolarHBondContact N-O 2.89Å; L271-Q277 HydrophobicContact CB-CB 4.04Å; L271-Q277 HydrophobicContact CD2-CB 4.41Å |
| 272 | G | 90 | Very high | 93.2 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 68% | 0.68 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | -122.3 | -173 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 273 | T | 90.1 | Very high | 93.2 | Very high | 106 Ų | 106 | 68 Ų | 68 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -11.8 | -176.4 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | C262 L271 | C262-T273 PolarHBondContact SG-O 2.66Å; C262-T273 VanDerWaalsContact SG-O 3.38Å; L271-T273 PolarHBondContact O-N 3.33Å |
| 274 | R | 92.6 | Very high | 93.1 | Very high | 122 Ų | 122 | 67.2 Ų | 67.2 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | -19.3 | -168.5 | -64.7 | 177.3 | -179.4 | 178.7 | 1.7 | 115.4 | L248 Q250 | L248-R274 WeakPolarHBondContact O-CD 3.3Å; L248-R274 VanDerWaalsContact O-CG 3.3Å; L248-R274 WeakPolarHBondContact O-CG 3.2Å; Q250-R274 VanDerWaalsContact CB-O 3.32Å; Q250-R274 WeakPolarHBondContact CB-O 3.35Å; Q250-R274 PolarHBondContact N-O 3.21Å |
| 275 | L | 92.4 | Very high | 92.8 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 148.5 | -174.4 | -59.7 | 175.7 | 0 | 0 | 0 | 110.2 | Q250 L270 L271 | Q250-L275 HydrophobicContact CB-CD2 4.41Å; Q250-L275 HydrophobicContact CG-CD2 4.5Å; Q250-L275 VanDerWaalsContact OE1-CA 3.22Å; L270-L275 CarbonylContact C-O 3.58Å; L270-L275 WeakPolarHBondContact CA-O 3.06Å; L270-L275 WeakPolarHBondContact CD1-O 3.44Å; L271-L275 HydrophobicContact CB-CB 4.4Å; L271-L275 PolarHBondContact N-O 2.89Å |
| 276 | C | 93.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 135.2 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 109.1 | Q250 C264 Q269 F438 | Q250-C276 PolarHBondContact OE1-O 3.08Å; C264-C276 WeakPolarHBondContact CA-SG 3.02Å; C264-C276 HydrophobicContact CB-CB 3.84Å; C264-C276 WeakPolarHBondContact CB-SG 3.4Å; C264-C276 WeakPolarHBondContact SG-CA 3.33Å; C264-C276 WeakPolarHBondContact SG-CB 3.08Å; C264-C276 CovalentContact SG-SG 2.04Å; C264-C276 PolarHBondContact SG-SG 3.41Å; Q269-C276 WeakPolarHBondContact O-CA 3.41Å; C276-F438 HydrophobicContact CB-CB 4.23Å; C276-F438 HydrophobicContact CB-CD1 4.49Å; C276-F438 HydrophobicContact CB-CD2 3.64Å; C276-F438 HydrophobicContact CB-CE2 4.11Å; C276-F438 HydrophobicContact CB-CG 3.86Å; C276-F438 WeakPolarHBondContact O-CB 3.45Å |
| 277 | Q | 92.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 68.1 Ų | 68.1 | 43% | 0.425 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.5 | 176.6 | -174.5 | 178.6 | 15 | 0 | 0 | 109.2 | Y268 Q269 L271 I279 | Y268-Q277 CarbonylContact C-O 3.42Å; Y268-Q277 VanDerWaalsContact CA-O 3.29Å; Y268-Q277 WeakPolarHBondContact CA-O 3.25Å; Q269-Q277 PolarHBondContact N-O 2.73Å; Q269-Q277 PolarHBondContact O-N 3.32Å; L271-Q277 HydrophobicContact CB-CB 4.04Å; L271-Q277 HydrophobicContact CD2-CB 4.41Å; Q277-I279 PolarHBondContact O-N 3.26Å |
| 278 | D | 92.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 76.1 Ų | 76.1 | 15% | 0.15 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 132.7 | 172.6 | -173.7 | 66 | 0 | 0 | 0 | 111.1 | Y268 N297 H299 G300 | Y268-D278 HydrophobicContact CD1-CB 4.29Å; Y268-D278 HydrophobicContact CE1-CB 4.09Å; D278-N297 PolarHBondContact OD2-ND2 2.04Å; D278-H299 WeakPolarHBondContact OD1-CA 3.03Å; D278-G300 PolarHBondContact OD1-N 2.93Å |
| 279 | I | 93.8 | Very high | 92.7 | Very high | 36 Ų | 36 | 76.7 Ų | 76.7 | 19% | 0.185 | 41% | 0.414 | C | S | . | . | trans | -83.7 | 122.7 | 172.9 | -61.8 | 170.2 | 0 | 0 | 0 | 107 | G267 Q269 Q277 E281 T284 N297 | G267-I279 WeakPolarHBondContact O-CB 3.48Å; G267-I279 PolarHBondContact O-N 3.31Å; Q269-I279 HydrophobicContact CB-CD1 4.13Å; Q269-I279 HydrophobicContact CB-CG1 3.88Å; Q269-I279 HydrophobicContact CG-CG1 3.88Å; Q277-I279 PolarHBondContact O-N 3.26Å; I279-E281 HydrophobicContact CG2-CG 4.25Å; I279-E281 PolarHBondContact O-N 2.89Å; I279-E281 VanDerWaalsContact O-N 3.11Å; I279-E281 VanDerWaalsContact O-OE2 3.1Å; I279-T284 HydrophobicContact CG2-CG2 4.17Å; I279-N297 PolarHBondContact O-OD1 2.92Å | ||
| 280 | N | 94.3 | Very high | 92.6 | Very high | 39 Ų | 39 | 76 Ų | 76 | 21% | 0.209 | 42% | 0.417 | C | S | . | . | trans | -82.2 | 89.3 | 175.1 | -172.9 | -17.9 | 0 | 0 | 0 | 110.4 | C282 E283 T284 N297 | N280-C282 PolarHBondContact O-N 2.98Å; N280-C282 WeakPolarHBondContact OD1-CB 3.43Å; N280-C282 PolarHBondContact OD1-N 2.8Å; N280-E283 HydrophobicContact CB-CB 4.16Å; N280-E283 HydrophobicContact CB-CG 4.41Å; N280-E283 VanDerWaalsContact ND2-CG 3.31Å; N280-E283 WeakPolarHBondContact ND2-CG 3.46Å; N280-E283 PolarHBondContact ND2-OE1 2.84Å; N280-E283 PolarHBondContact ND2-OE2 2.82Å; N280-E283 PolarHBondContact O-N 3.38Å; N280-E283 PolarHBondContact OD1-N 2.82Å; N280-T284 WeakPolarHBondContact O-CG2 3.34Å; N280-T284 PolarHBondContact O-N 2.02Å; N280-N297 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 281 | E | 94.8 | Very high | 92.2 | Very high | 21 Ų | 21 | 82.3 Ų | 82.3 | 10% | 0.098 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.9 | -19.3 | -174.7 | -49.3 | 89.2 | 158 | 0 | 0 | 112.7 | I279 E283 T284 G285 E286 H287 N297 A301 S302 | I279-E281 HydrophobicContact CG2-CG 4.25Å; I279-E281 PolarHBondContact O-N 2.89Å; I279-E281 VanDerWaalsContact O-N 3.11Å; I279-E281 VanDerWaalsContact O-OE2 3.1Å; E281-E283 VanDerWaalsContact C-N 3.34Å; E281-T284 WeakPolarHBondContact CA-OG1 3.38Å; E281-G285 PolarHBondContact O-N 3Å; E281-E286 HydrophobicContact CB-CB 4.36Å; E281-E286 PolarHBondContact O-N 3.11Å; E281-H287 PolarHBondContact O-N 3.12Å; E281-N297 PolarHBondContact OE2-OD1 3.47Å; E281-A301 VanDerWaalsContact OE1-C 3.26Å; E281-A301 WeakPolarHBondContact OE1-CA 3.44Å; E281-S302 WeakPolarHBondContact OE2-CB 3.36Å; E281-S302 PolarHBondContact OE2-N 2.04Å |
| 282 | C | 94 | Very high | 91.8 | Very high | 39 Ų | 39 | 80.5 Ų | 80.5 | 26% | 0.264 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.8 | -30 | 172.3 | -57 | 0 | 0 | 0 | 0 | 112.6 | N280 C295 V296 N297 | N280-C282 PolarHBondContact O-N 2.98Å; N280-C282 WeakPolarHBondContact OD1-CB 3.43Å; N280-C282 PolarHBondContact OD1-N 2.8Å; C282-C295 WeakPolarHBondContact CA-SG 3.41Å; C282-C295 HydrophobicContact CB-CB 3.82Å; C282-C295 WeakPolarHBondContact CB-SG 3.42Å; C282-C295 WeakPolarHBondContact SG-CB 3.48Å; C282-C295 CovalentContact SG-SG 2.04Å; C282-C295 PolarHBondContact SG-SG 3Å; C282-V296 PolarHBondContact SG-N 2.92Å; C282-N297 PolarHBondContact SG-N 3.5Å |
| 283 | E | 94.6 | Very high | 91.8 | Very high | 160 Ų | 160 | 80.1 Ų | 80.1 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -88.8 | -35.3 | 176.3 | -75.4 | 177.2 | -170.4 | 0 | 0 | 112.3 | N280 E281 G285 | N280-E283 HydrophobicContact CB-CB 4.16Å; N280-E283 HydrophobicContact CB-CG 4.41Å; N280-E283 VanDerWaalsContact ND2-CG 3.31Å; N280-E283 WeakPolarHBondContact ND2-CG 3.46Å; N280-E283 PolarHBondContact ND2-OE1 2.84Å; N280-E283 PolarHBondContact ND2-OE2 2.82Å; N280-E283 PolarHBondContact O-N 3.38Å; N280-E283 PolarHBondContact OD1-N 2.82Å; E281-E283 VanDerWaalsContact C-N 3.34Å; E283-G285 VanDerWaalsContact C-N 3.27Å; E283-G285 PolarHBondContact O-N 3.02Å |
| 284 | T | 92.8 | Very high | 91.8 | Very high | 79 Ų | 79 | 78.4 Ų | 78.4 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -74.3 | -20.6 | 177.2 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | I279 N280 E281 E286 | I279-T284 HydrophobicContact CG2-CG2 4.17Å; N280-T284 WeakPolarHBondContact O-CG2 3.34Å; N280-T284 PolarHBondContact O-N 2.02Å; E281-T284 WeakPolarHBondContact CA-OG1 3.38Å; T284-E286 VanDerWaalsContact C-N 3.3Å; T284-E286 WeakPolarHBondContact OG1-CG 3.44Å; T284-E286 PolarHBondContact OG1-N 2.94Å; T284-E286 PolarHBondContact OG1-OE2 2.94Å |
| 285 | G | 89.9 | Confident | 91.8 | Very high | 51 Ų | 51 | 74 Ų | 74 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 14 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E281 E283 H287 | E281-G285 PolarHBondContact O-N 3Å; E283-G285 VanDerWaalsContact C-N 3.27Å; E283-G285 PolarHBondContact O-N 3.02Å; G285-H287 VanDerWaalsContact C-N 3.26Å |
| 286 | E | 89.9 | Confident | 91.8 | Very high | 134 Ų | 134 | 70.6 Ų | 70.6 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | trans | -83.4 | -1.5 | 177.8 | -66.7 | 177.7 | 147.8 | 0 | 0 | 112.8 | E281 T284 | E281-E286 HydrophobicContact CB-CB 4.36Å; E281-E286 PolarHBondContact O-N 3.11Å; T284-E286 VanDerWaalsContact C-N 3.3Å; T284-E286 WeakPolarHBondContact OG1-CG 3.44Å; T284-E286 PolarHBondContact OG1-N 2.94Å; T284-E286 PolarHBondContact OG1-OE2 2.94Å | ||
| 287 | H | 91.6 | Very high | 91.8 | Very high | 67 Ų | 67 | 72.5 Ų | 72.5 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | trans | -63.9 | 146.2 | 176.9 | 67.7 | 68.2 | 0 | 0 | 0 | 113.3 | E281 G285 C289 C295 | E281-H287 PolarHBondContact O-N 3.12Å; G285-H287 VanDerWaalsContact C-N 3.26Å; H287-C289 PolarHBondContact O-N 3.42Å; H287-C295 HydrophobicContact CB-CB 4.4Å; H287-C295 WeakPolarHBondContact CB-SG 3.19Å | ||
| 288 | Q | 92 | Very high | 91.8 | Very high | 182 Ų | 182 | 69.2 Ų | 69.2 | 85% | 0.85 | 38% | 0.383 | S | S | * | . | trans | -97 | 23.6 | -177.5 | -60.3 | -179.4 | 17.6 | 0 | 0 | 114.2 | ||||
| 289 | C | 92.8 | Very high | 91.7 | Very high | 25 Ų | 25 | 70.3 Ų | 70.3 | 17% | 0.169 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 140.6 | -175.4 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | H287 Q293 C304 | H287-C289 PolarHBondContact O-N 3.42Å; C289-Q293 HydrophobicContact CB-CB 4.06Å; C289-C304 WeakPolarHBondContact CA-SG 3.31Å; C289-C304 HydrophobicContact CB-CB 3.78Å; C289-C304 WeakPolarHBondContact CB-SG 3.45Å; C289-C304 PolarHBondContact N-SG 3.38Å; C289-C304 VanDerWaalsContact SG-CA 3.51Å; C289-C304 WeakPolarHBondContact SG-CB 3.29Å; C289-C304 CovalentContact SG-SG 2.04Å; C289-C304 PolarHBondContact SG-SG 3.23Å |
| 290 | T | 92.8 | Very high | 91.5 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 167.5 | 178.1 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | G292 Q293 | T290-G292 PolarHBondContact O-N 2.68Å; T290-Q293 WeakPolarHBondContact O-CB 3.47Å; T290-Q293 PolarHBondContact O-N 2.74Å; T290-Q293 PolarHBondContact OG1-OE1 3.39Å |
| 291 | E | 84.9 | Confident | 91.3 | Very high | 205 Ų | 205 | 69.5 Ų | 69.5 | 96% | 0.958 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 119.7 | 172 | -159.6 | 173.6 | -171.6 | 0 | 0 | 110 | ||
| 292 | G | 85.4 | Confident | 91.2 | Very high | 51 Ų | 51 | 70 Ų | 70 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | 6.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T290 T307 | T290-G292 PolarHBondContact O-N 2.68Å; G292-T307 WeakPolarHBondContact O-CB 3.34Å; G292-T307 PolarHBondContact O-N 2.75Å; G292-T307 PolarHBondContact O-OG1 3.21Å |
| 293 | Q | 90.6 | Very high | 91.1 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148.2 | 170.1 | -62.3 | -175.4 | -40.3 | 0 | 0 | 111 | C289 T290 C304 V305 D306 | C289-Q293 HydrophobicContact CB-CB 4.06Å; T290-Q293 WeakPolarHBondContact O-CB 3.47Å; T290-Q293 PolarHBondContact O-N 2.74Å; T290-Q293 PolarHBondContact OG1-OE1 3.39Å; Q293-C304 HydrophobicContact CB-CB 4.39Å; Q293-V305 CarbonylContact C-O 3.56Å; Q293-V305 WeakPolarHBondContact CA-O 3.37Å; Q293-D306 PolarHBondContact NE2-OD1 3.43Å |
| 294 | T | 89.9 | Confident | 91 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.2 | 173 | -53.1 | 0 | 0 | 0 | 0 | 108.8 | V305 | T294-V305 PolarHBondContact N-O 3.42Å; T294-V305 VanDerWaalsContact O-CG2 3.3Å; T294-V305 WeakPolarHBondContact O-CG2 3.25Å; T294-V305 PolarHBondContact O-N 2.98Å |
| 295 | C | 92.9 | Very high | 90.9 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.5 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 111 | C282 H287 | C282-C295 WeakPolarHBondContact CA-SG 3.41Å; C282-C295 HydrophobicContact CB-CB 3.82Å; C282-C295 WeakPolarHBondContact CB-SG 3.42Å; C282-C295 WeakPolarHBondContact SG-CB 3.48Å; C282-C295 CovalentContact SG-SG 2.04Å; C282-C295 PolarHBondContact SG-SG 3Å; H287-C295 HydrophobicContact CB-CB 4.4Å; H287-C295 WeakPolarHBondContact CB-SG 3.19Å |
| 296 | V | 92.3 | Very high | 90.7 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.6 | 170.5 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | C282 I298 Q303 V305 Y342 Y432 | C282-V296 PolarHBondContact SG-N 2.92Å; V296-I298 HydrophobicContact CG1-CG2 4.16Å; V296-Q303 PolarHBondContact N-O 3.33Å; V296-Q303 PolarHBondContact O-N 3.1Å; V296-V305 HydrophobicContact CG2-CG1 4.07Å; V296-V305 HydrophobicContact CG2-CG2 3.65Å; V296-Y342 HydrophobicContact CG1-CG 4.25Å; V296-Y342 HydrophobicContact CG2-CD2 3.9Å; V296-Y342 HydrophobicContact CG2-CE2 4.44Å; V296-Y342 HydrophobicContact CG2-CG 3.99Å; V296-Y432 HydrophobicContact CG1-CE2 4.45Å |
| 297 | N | 92.9 | Very high | 90.3 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.3 | 175.6 | -168.9 | 51.1 | 0 | 0 | 0 | 110.4 | D278 I279 N280 E281 C282 | D278-N297 PolarHBondContact OD2-ND2 2.04Å; I279-N297 PolarHBondContact O-OD1 2.92Å; N280-N297 WeakPolarHBondContact CA-OD1 3.45Å; E281-N297 PolarHBondContact OE2-OD1 3.47Å; C282-N297 PolarHBondContact SG-N 3.5Å |
| 298 | I | 92.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.8 | 178.2 | 63.6 | 168.2 | 0 | 0 | 0 | 109.8 | V296 G300 A301 Q303 Y432 | V296-I298 HydrophobicContact CG1-CG2 4.16Å; I298-G300 PolarHBondContact O-N 3.28Å; I298-A301 CarbonylContact C-O 3.52Å; I298-A301 WeakPolarHBondContact CA-O 3.47Å; I298-A301 HydrophobicContact CD1-CB 4.02Å; I298-A301 VanDerWaalsContact CG1-C 3.48Å; I298-A301 HydrophobicContact CG1-CB 3.93Å; I298-A301 WeakPolarHBondContact CG1-O 3.04Å; I298-A301 PolarHBondContact N-O 3.35Å; I298-A301 PolarHBondContact O-N 3.41Å; I298-Q303 HydrophobicContact CD1-CB 4.2Å; I298-Q303 HydrophobicContact CG2-CB 4.28Å; I298-Y432 HydrophobicContact CB-CG 4.34Å; I298-Y432 HydrophobicContact CD1-CD1 4.35Å; I298-Y432 HydrophobicContact CD1-CG 4.44Å; I298-Y432 HydrophobicContact CG2-CD1 4.33Å; I298-Y432 HydrophobicContact CG2-CD2 3.39Å; I298-Y432 HydrophobicContact CG2-CE2 3.95Å; I298-Y432 HydrophobicContact CG2-CG 3.61Å |
| 299 | H | 90.8 | Very high | 89 | Confident | 51 Ų | 51 | 56.4 Ų | 56.4 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 111.7 | -177.7 | -77.4 | -56.9 | 0 | 0 | 0 | 111.6 | D278 S344 | D278-H299 WeakPolarHBondContact OD1-CA 3.03Å; H299-S344 PolarHBondContact CD2-OG 3.43Å |
| 300 | G | 89.3 | Confident | 88.6 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 5.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y268 D278 I298 | Y268-G300 PolarHBondContact OH-N 2.72Å; D278-G300 PolarHBondContact OD1-N 2.93Å; I298-G300 PolarHBondContact O-N 3.28Å |
| 301 | A | 91.3 | Very high | 88.2 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E281 I298 | E281-A301 VanDerWaalsContact OE1-C 3.26Å; E281-A301 WeakPolarHBondContact OE1-CA 3.44Å; I298-A301 CarbonylContact C-O 3.52Å; I298-A301 WeakPolarHBondContact CA-O 3.47Å; I298-A301 HydrophobicContact CD1-CB 4.02Å; I298-A301 VanDerWaalsContact CG1-C 3.48Å; I298-A301 HydrophobicContact CG1-CB 3.93Å; I298-A301 WeakPolarHBondContact CG1-O 3.04Å; I298-A301 PolarHBondContact N-O 3.35Å; I298-A301 PolarHBondContact O-N 3.41Å |
| 302 | S | 92.9 | Very high | 88.1 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 150.9 | 163.4 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | E281 | E281-S302 WeakPolarHBondContact OE2-CB 3.36Å; E281-S302 PolarHBondContact OE2-N 2.04Å |
| 303 | Q | 92 | Very high | 88.2 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.4 | 175.5 | -177.3 | 70.1 | -21.2 | 0 | 0 | 110.8 | V296 I298 V305 Y432 | V296-Q303 PolarHBondContact N-O 3.33Å; V296-Q303 PolarHBondContact O-N 3.1Å; I298-Q303 HydrophobicContact CD1-CB 4.2Å; I298-Q303 HydrophobicContact CG2-CB 4.28Å; Q303-V305 HydrophobicContact CG-CG1 4.17Å; Q303-Y432 HydrophobicContact CB-CE1 4.45Å; Q303-Y432 HydrophobicContact CG-CE1 3.94Å; Q303-Y432 WeakPolarHBondContact CG-OH 3.02Å |
| 304 | C | 92.2 | Very high | 88.1 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.7 | 177 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | C289 Q293 | C289-C304 WeakPolarHBondContact CA-SG 3.31Å; C289-C304 HydrophobicContact CB-CB 3.78Å; C289-C304 WeakPolarHBondContact CB-SG 3.45Å; C289-C304 PolarHBondContact N-SG 3.38Å; C289-C304 VanDerWaalsContact SG-CA 3.51Å; C289-C304 WeakPolarHBondContact SG-CB 3.29Å; C289-C304 CovalentContact SG-SG 2.04Å; C289-C304 PolarHBondContact SG-SG 3.23Å; Q293-C304 HydrophobicContact CB-CB 4.39Å |
| 305 | V | 89.1 | Confident | 88 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.9 | -177.8 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | Q293 T294 V296 Q303 Y342 | Q293-V305 CarbonylContact C-O 3.56Å; Q293-V305 WeakPolarHBondContact CA-O 3.37Å; T294-V305 PolarHBondContact N-O 3.42Å; T294-V305 VanDerWaalsContact O-CG2 3.3Å; T294-V305 WeakPolarHBondContact O-CG2 3.25Å; T294-V305 PolarHBondContact O-N 2.98Å; V296-V305 HydrophobicContact CG2-CG1 4.07Å; V296-V305 HydrophobicContact CG2-CG2 3.65Å; Q303-V305 HydrophobicContact CG-CG1 4.17Å; V305-Y342 HydrophobicContact CB-CE1 4.45Å; V305-Y342 HydrophobicContact CG1-CD1 4.33Å; V305-Y342 HydrophobicContact CG1-CE1 3.81Å; V305-Y342 HydrophobicContact CG2-CE2 4.08Å |
| 306 | D | 87.4 | Confident | 87.8 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 142 | 178.6 | -56.4 | -35.2 | 0 | 0 | 0 | 112.2 | Q293 R309 | Q293-D306 PolarHBondContact NE2-OD1 3.43Å; D306-R309 HydrophobicContact CB-CG 4.05Å; D306-R309 VanDerWaalsContact O-CD 3.26Å; D306-R309 WeakPolarHBondContact O-CD 3.41Å; D306-R309 WeakPolarHBondContact O-CG 3.43Å; D306-R309 PolarHBondContact O-NE 3.31Å |
| 307 | T | 80.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -72.1 | -28.8 | 179.2 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | G292 Q316 | G292-T307 WeakPolarHBondContact O-CB 3.34Å; G292-T307 PolarHBondContact O-N 2.75Å; G292-T307 PolarHBondContact O-OG1 3.21Å; T307-Q316 PolarHBondContact O-NE2 2.04Å; T307-Q316 PolarHBondContact O-OE1 2.8Å |
| 308 | N | 77 | Confident | 87.2 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | trans | -111.1 | 78 | -180 | -173.1 | 5.6 | 0 | 0 | 0 | 112.8 | Q316 | N308-Q316 PolarHBondContact OD1-OE1 3.01Š| ||
| 309 | R | 79.3 | Confident | 86.6 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -93.8 | 7.4 | -176.5 | -71.8 | 174.2 | 160.5 | -132.1 | -15.2 | 115 | D306 Q311 Q340 Y342 | D306-R309 HydrophobicContact CB-CG 4.05Å; D306-R309 VanDerWaalsContact O-CD 3.26Å; D306-R309 WeakPolarHBondContact O-CD 3.41Å; D306-R309 WeakPolarHBondContact O-CG 3.43Å; D306-R309 PolarHBondContact O-NE 3.31Å; R309-Q311 PolarHBondContact O-N 3Å; R309-Q340 VanDerWaalsContact CB-NE2 3.35Å; R309-Q340 VanDerWaalsContact CB-OE1 3.27Å; R309-Y342 VanDerWaalsContact CD-OH 3.3Å; R309-Y342 WeakPolarHBondContact CD-OH 3.01Å; R309-Y342 PolarHBondContact NH1-OH 2.89Å | ||
| 310 | C | 85.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 61 Ų | 61 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | trans | -73.8 | 105.4 | -178.7 | -59.8 | 0 | 0 | 0 | 0 | 110 | S312 Q316 C322 | C310-S312 PolarHBondContact O-N 2.93Å; C310-Q316 HydrophobicContact CB-CB 4.48Å; C310-Q316 WeakPolarHBondContact SG-CA 3.28Å; C310-Q316 WeakPolarHBondContact SG-CB 3.42Å; C310-C322 WeakPolarHBondContact CA-SG 3.05Å; C310-C322 HydrophobicContact CB-CB 3.87Å; C310-C322 WeakPolarHBondContact CB-SG 3.4Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.49Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.48Å | ||
| 311 | Q | 83.7 | Confident | 86.4 | Confident | 131 Ų | 131 | 65.5 Ų | 65.5 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | trans | -61.5 | 136.9 | 171.4 | -70.8 | 178.2 | -24.2 | 0 | 0 | 109.5 | R309 Y314 | R309-Q311 PolarHBondContact O-N 3Å; Q311-Y314 WeakPolarHBondContact O-CB 3.19Å; Q311-Y314 WeakPolarHBondContact O-CD2 3.29Å; Q311-Y314 PolarHBondContact O-N 2.01Å | ||
| 312 | S | 82.1 | Confident | 86.3 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 131.8 | 168.6 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | C310 | C310-S312 PolarHBondContact O-N 2.93Š|
| 313 | P | 87.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -96.9 | 7.6 | 17.2 | 38.5 | -39.2 | 0 | 0 | 0 | 116.1 | P325 K328 A330 C331 | P313-P325 WeakPolarHBondContact O-CD 3.46Å; P313-K328 HydrophobicContact CB-CB 4.36Å; P313-K328 HydrophobicContact CB-CD 4.13Å; P313-A330 HydrophobicContact CB-CB 4.21Å; P313-A330 HydrophobicContact CG-CB 4.14Å; P313-C331 HydrophobicContact CG-CB 3.57Å |
| 314 | Y | 88.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 9% | 0.09 | 33% | 0.33 | C | S | . | . | trans | -70.8 | 152.2 | -178.6 | -65.7 | -89.8 | 0 | 0 | 0 | 112.6 | Q311 C322 C324 L334 P335 I338 | Q311-Y314 WeakPolarHBondContact O-CB 3.19Å; Q311-Y314 WeakPolarHBondContact O-CD2 3.29Å; Q311-Y314 PolarHBondContact O-N 2.01Å; Y314-C322 HydrophobicContact CD1-CB 4.37Å; Y314-C322 HydrophobicContact CG-CB 4.38Å; Y314-C324 HydrophobicContact CD1-CB 4.23Å; Y314-C324 HydrophobicContact CE1-CB 3.96Å; Y314-L334 HydrophobicContact CE2-CD1 4.43Å; Y314-L334 WeakPolarHBondContact OH-CB 3.4Å; Y314-P335 WeakPolarHBondContact CE1-O 3.24Å; Y314-P335 PolarHBondContact OH-O 3.29Å; Y314-I338 HydrophobicContact CD1-CD1 4.26Å; Y314-I338 HydrophobicContact CD1-CG1 4.38Å; Y314-I338 HydrophobicContact CD2-CD1 3.97Å; Y314-I338 HydrophobicContact CE1-CD1 3.87Å; Y314-I338 HydrophobicContact CE1-CG1 3.91Å; Y314-I338 HydrophobicContact CE2-CD1 3.54Å; Y314-I338 HydrophobicContact CE2-CG1 4.47Å; Y314-I338 HydrophobicContact CG-CD1 4.32Å; Y314-I338 VanDerWaalsContact CZ-CD1 3.48Å | ||
| 315 | V | 88.9 | Confident | 85.6 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.2 | 175 | -168.2 | 0 | 0 | 0 | 0 | 108.8 | C322 V323 P325 | V315-C322 WeakPolarHBondContact O-CA 3.31Å; V315-V323 PolarHBondContact N-O 2.78Å; V315-V323 PolarHBondContact O-N 2.72Å; V315-P325 HydrophobicContact CG2-CB 4.17Å; V315-P325 HydrophobicContact CG2-CG 3.73Å |
| 316 | Q | 88.4 | Confident | 85.2 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 27% | 0.271 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129 | 177.1 | -166.4 | 171.3 | 11.7 | 0 | 0 | 110.5 | T307 N308 C310 S318 D319 | T307-Q316 PolarHBondContact O-NE2 2.04Å; T307-Q316 PolarHBondContact O-OE1 2.8Å; N308-Q316 PolarHBondContact OD1-OE1 3.01Å; C310-Q316 HydrophobicContact CB-CB 4.48Å; C310-Q316 WeakPolarHBondContact SG-CA 3.28Å; C310-Q316 WeakPolarHBondContact SG-CB 3.42Å; Q316-S318 VanDerWaalsContact CG-O 3.22Å; Q316-S318 WeakPolarHBondContact CG-O 3.05Å; Q316-S318 PolarHBondContact NE2-O 3.31Å; Q316-D319 PolarHBondContact NE2-O 2.81Å |
| 317 | V | 86.9 | Confident | 84.9 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -27.9 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 111 | R321 V323 | V317-R321 PolarHBondContact N-O 3.23Å; V317-V323 HydrophobicContact CB-CG2 4.22Å; V317-V323 HydrophobicContact CG2-CB 3.73Å; V317-V323 HydrophobicContact CG2-CG2 3.57Å |
| 318 | S | 86 | Confident | 84.9 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 43% | 0.427 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 172.5 | 169.7 | 71.3 | 0 | 0 | 0 | 0 | 110 | Q316 N320 R321 | Q316-S318 VanDerWaalsContact CG-O 3.22Å; Q316-S318 WeakPolarHBondContact CG-O 3.05Å; Q316-S318 PolarHBondContact NE2-O 3.31Å; S318-N320 PolarHBondContact O-N 3.23Å; S318-R321 PolarHBondContact N-O 3.12Å; S318-R321 PolarHBondContact O-N 3.13Å; S318-R321 WeakPolarHBondContact OG-CB 3.04Å |
| 319 | D | 79.7 | Confident | 84.7 | Confident | 120 Ų | 120 | 71 Ų | 71 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -37.3 | -173.2 | -59.5 | -21.1 | 0 | 0 | 0 | 114.2 | Q316 | Q316-D319 PolarHBondContact NE2-O 2.81Š|
| 320 | N | 85.4 | Confident | 84.6 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 15.8 | -178.4 | -72.9 | -30.7 | 0 | 0 | 0 | 113.7 | S318 V339 Q340 | S318-N320 PolarHBondContact O-N 3.23Å; N320-V339 CarbonylContact O-C 3.16Å; N320-V339 VanDerWaalsContact O-CA 3.23Å; N320-V339 WeakPolarHBondContact O-CA 3.49Å; N320-Q340 WeakPolarHBondContact CB-O 3.05Å; N320-Q340 PolarHBondContact O-N 3.05Å |
| 321 | R | 89.4 | Confident | 84.2 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 43% | 0.426 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 118.9 | -175.7 | -168.1 | 178.5 | 179 | -174.6 | -0.3 | 112 | V317 S318 V323 V339 | V317-R321 PolarHBondContact N-O 3.23Å; S318-R321 PolarHBondContact N-O 3.12Å; S318-R321 PolarHBondContact O-N 3.13Å; S318-R321 WeakPolarHBondContact OG-CB 3.04Å; R321-V323 HydrophobicContact CG-CG2 4.28Å; R321-V339 HydrophobicContact CG-CG2 4.34Å |
| 322 | C | 90.6 | Very high | 83.6 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.034 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.1 | 172.1 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | C310 Y314 V315 S337 I338 | C310-C322 WeakPolarHBondContact CA-SG 3.05Å; C310-C322 HydrophobicContact CB-CB 3.87Å; C310-C322 WeakPolarHBondContact CB-SG 3.4Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.49Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.48Å; Y314-C322 HydrophobicContact CD1-CB 4.37Å; Y314-C322 HydrophobicContact CG-CB 4.38Å; V315-C322 WeakPolarHBondContact O-CA 3.31Å; C322-S337 CarbonylContact O-C 3.53Å; C322-S337 VanDerWaalsContact O-CA 3.25Å; C322-S337 WeakPolarHBondContact O-CA 3.48Å; C322-I338 HydrophobicContact CB-CB 4.26Å; C322-I338 PolarHBondContact N-O 3.01Å; C322-I338 PolarHBondContact O-N 2.92Å |
| 323 | V | 88.8 | Confident | 83.4 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 14% | 0.139 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.1 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | V315 V317 R321 P325 F336 | V315-V323 PolarHBondContact N-O 2.78Å; V315-V323 PolarHBondContact O-N 2.72Å; V317-V323 HydrophobicContact CB-CG2 4.22Å; V317-V323 HydrophobicContact CG2-CB 3.73Å; V317-V323 HydrophobicContact CG2-CG2 3.57Å; R321-V323 HydrophobicContact CG-CG2 4.28Å; V323-P325 WeakPolarHBondContact O-CD 3.45Å; V323-F336 HydrophobicContact CG1-CD1 4.29Å; V323-F336 HydrophobicContact CG1-CE1 3.68Å; V323-F336 HydrophobicContact CG1-CE2 4.42Å; V323-F336 HydrophobicContact CG1-CZ 3.76Å |
| 324 | C | 88.3 | Confident | 83.1 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 8% | 0.081 | 43% | 0.429 | C | S | . | . | trans | -71.3 | 114 | 171.5 | 174.6 | 0 | 0 | 0 | 0 | 108.6 | Y314 C331 F336 | Y314-C324 HydrophobicContact CD1-CB 4.23Å; Y314-C324 HydrophobicContact CE1-CB 3.96Å; C324-C331 VanDerWaalsContact CA-SG 3.55Å; C324-C331 HydrophobicContact CB-CB 3.81Å; C324-C331 WeakPolarHBondContact CB-SG 3.45Å; C324-C331 WeakPolarHBondContact SG-CB 3.48Å; C324-C331 CovalentContact SG-SG 2.02Å; C324-C331 PolarHBondContact SG-SG 3.13Å; C324-F336 HydrophobicContact CB-CD2 4.28Å; C324-F336 WeakPolarHBondContact CB-O 3.4Å; C324-F336 PolarHBondContact N-O 3.3Å; C324-F336 WeakPolarHBondContact O-CE2 2.97Å | ||
| 325 | P | 85.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 18% | 0.175 | 43% | 0.425 | C | S | . | . | trans | -72.7 | 139.3 | 179.8 | 31.9 | -35 | 0 | 0 | 0 | 109.7 | P313 V315 V323 T327 K328 | P313-P325 WeakPolarHBondContact O-CD 3.46Å; V315-P325 HydrophobicContact CG2-CB 4.17Å; V315-P325 HydrophobicContact CG2-CG 3.73Å; V323-P325 WeakPolarHBondContact O-CD 3.45Å; P325-T327 PolarHBondContact O-N 3.16Å; P325-K328 HydrophobicContact CG-CB 3.89Å; P325-K328 HydrophobicContact CG-CD 4.04Å; P325-K328 HydrophobicContact CG-CG 3.89Å; P325-K328 PolarHBondContact O-N 2.03Å | ||
| 326 | V | 79.2 | Confident | 82.6 | Confident | 146 Ų | 146 | 79.1 Ų | 79.1 | 89% | 0.885 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22 | 175.6 | -96.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 327 | T | 82.1 | Confident | 82.5 | Confident | 122 Ų | 122 | 76.8 Ų | 76.8 | 75% | 0.748 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.3 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | P325 P329 | P325-T327 PolarHBondContact O-N 3.16Å; T327-P329 WeakPolarHBondContact O-CD 2.98Å |
| 328 | K | 79.3 | Confident | 82.6 | Confident | 97 Ų | 97 | 73 Ų | 73 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | trans | -114.7 | 96.7 | 177.5 | -62.8 | -172.5 | 177.8 | 178.8 | 0 | 110.2 | P313 P325 A330 C331 | P313-K328 HydrophobicContact CB-CB 4.36Å; P313-K328 HydrophobicContact CB-CD 4.13Å; P325-K328 HydrophobicContact CG-CB 3.89Å; P325-K328 HydrophobicContact CG-CD 4.04Å; P325-K328 HydrophobicContact CG-CG 3.89Å; P325-K328 PolarHBondContact O-N 2.03Å; K328-A330 PolarHBondContact O-N 2.83Å; K328-C331 PolarHBondContact O-SG 3.07Å | ||
| 329 | P | 73.3 | Confident | 82.8 | Confident | 104 Ų | 104 | 72 Ų | 72 | 68% | 0.675 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -68.3 | -7.8 | -176.2 | 27.4 | -34.4 | 0 | 0 | 0 | 114 | T327 C331 R332 | T327-P329 WeakPolarHBondContact O-CD 2.98Å; P329-C331 PolarHBondContact O-N 3.25Å; P329-C331 VanDerWaalsContact O-N 3.15Å; P329-R332 VanDerWaalsContact O-CB 3.26Å; P329-R332 WeakPolarHBondContact O-CB 3.34Å; P329-R332 PolarHBondContact O-N 3.42Å; P329-R332 VanDerWaalsContact O-N 3.09Å |
| 330 | A | 76.8 | Confident | 83.3 | Confident | 79 Ų | 79 | 67 Ų | 67 | 65% | 0.653 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -60.1 | -22.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P313 K328 | P313-A330 HydrophobicContact CB-CB 4.21Å; P313-A330 HydrophobicContact CG-CB 4.14Å; K328-A330 PolarHBondContact O-N 2.83Å |
| 331 | C | 77.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -102.1 | 16.3 | 177.1 | 43.6 | 0 | 0 | 0 | 0 | 114.3 | P313 C324 K328 P329 D333 L334 | P313-C331 HydrophobicContact CG-CB 3.57Å; C324-C331 VanDerWaalsContact CA-SG 3.55Å; C324-C331 HydrophobicContact CB-CB 3.81Å; C324-C331 WeakPolarHBondContact CB-SG 3.45Å; C324-C331 WeakPolarHBondContact SG-CB 3.48Å; C324-C331 CovalentContact SG-SG 2.02Å; C324-C331 PolarHBondContact SG-SG 3.13Å; K328-C331 PolarHBondContact O-SG 3.07Å; P329-C331 PolarHBondContact O-N 3.25Å; P329-C331 VanDerWaalsContact O-N 3.15Å; C331-D333 VanDerWaalsContact C-N 3.29Å; C331-D333 PolarHBondContact O-N 3.05Å; C331-L334 HydrophobicContact CB-CB 4.16Å; C331-L334 HydrophobicContact CB-CD1 4.17Å; C331-L334 PolarHBondContact O-N 3Å |
| 332 | R | 72.1 | Confident | 83.7 | Confident | 214 Ų | 214 | 67.1 Ų | 67.1 | 81% | 0.808 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -33.5 | -178.4 | -170.8 | 176.1 | -177.5 | 176.9 | 0.1 | 113.8 | P329 | P329-R332 VanDerWaalsContact O-CB 3.26Å; P329-R332 WeakPolarHBondContact O-CB 3.34Å; P329-R332 PolarHBondContact O-N 3.42Å; P329-R332 VanDerWaalsContact O-N 3.09Å |
| 333 | D | 77.1 | Confident | 83.8 | Confident | 158 Ų | 158 | 68.5 Ų | 68.5 | 85% | 0.845 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9 | 176.9 | -56.2 | -42.5 | 0 | 0 | 0 | 112.6 | C331 | C331-D333 VanDerWaalsContact C-N 3.29Å; C331-D333 PolarHBondContact O-N 3.05Å |
| 334 | L | 81.5 | Confident | 84 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -109.1 | 163.6 | 177.4 | -61 | 177.5 | 0 | 0 | 0 | 109.8 | Y314 C331 F336 | Y314-L334 HydrophobicContact CE2-CD1 4.43Å; Y314-L334 WeakPolarHBondContact OH-CB 3.4Å; C331-L334 HydrophobicContact CB-CB 4.16Å; C331-L334 HydrophobicContact CB-CD1 4.17Å; C331-L334 PolarHBondContact O-N 3Å; L334-F336 PolarHBondContact O-N 2.91Å |
| 335 | P | 83.7 | Confident | 84.2 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | trans | -54.1 | 135.1 | 176.2 | -24.8 | 33.7 | 0 | 0 | 0 | 110.9 | Y314 S337 A426 | Y314-P335 WeakPolarHBondContact CE1-O 3.24Å; Y314-P335 PolarHBondContact OH-O 3.29Å; P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 3.44Å; P335-A426 HydrophobicContact CB-CB 3.68Å; P335-A426 HydrophobicContact CG-CB 3.68Å | ||
| 336 | F | 82.1 | Confident | 84.4 | Confident | 99 Ų | 99 | 68.6 Ų | 68.6 | 43% | 0.434 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -66 | -34.6 | -176.8 | -180 | -100.9 | 0 | 0 | 0 | 112 | V323 C324 L334 S424 | V323-F336 HydrophobicContact CG1-CD1 4.29Å; V323-F336 HydrophobicContact CG1-CE1 3.68Å; V323-F336 HydrophobicContact CG1-CE2 4.42Å; V323-F336 HydrophobicContact CG1-CZ 3.76Å; C324-F336 HydrophobicContact CB-CD2 4.28Å; C324-F336 WeakPolarHBondContact CB-O 3.4Å; C324-F336 PolarHBondContact N-O 3.3Å; C324-F336 WeakPolarHBondContact O-CE2 2.97Å; L334-F336 PolarHBondContact O-N 2.91Å; F336-S424 PolarHBondContact N-O 2.88Å |
| 337 | S | 87.1 | Confident | 84.9 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.9 | 173.4 | 67.6 | 0 | 0 | 0 | 0 | 111.5 | C322 P335 S425 A426 | C322-S337 CarbonylContact O-C 3.53Å; C322-S337 VanDerWaalsContact O-CA 3.25Å; C322-S337 WeakPolarHBondContact O-CA 3.48Å; P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 3.44Å; S337-S425 PolarHBondContact OG-OG 2.73Å; S337-A426 PolarHBondContact O-N 3.37Å |
| 338 | I | 88.6 | Confident | 84.9 | Confident | 20 Ų | 20 | 64.3 Ų | 64.3 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.2 | 174.4 | -56 | 177.8 | 0 | 0 | 0 | 107.5 | Y314 C322 A426 R428 | Y314-I338 HydrophobicContact CD1-CD1 4.26Å; Y314-I338 HydrophobicContact CD1-CG1 4.38Å; Y314-I338 HydrophobicContact CD2-CD1 3.97Å; Y314-I338 HydrophobicContact CE1-CD1 3.87Å; Y314-I338 HydrophobicContact CE1-CG1 3.91Å; Y314-I338 HydrophobicContact CE2-CD1 3.54Å; Y314-I338 HydrophobicContact CE2-CG1 4.47Å; Y314-I338 HydrophobicContact CG-CD1 4.32Å; Y314-I338 VanDerWaalsContact CZ-CD1 3.48Å; C322-I338 HydrophobicContact CB-CB 4.26Å; C322-I338 PolarHBondContact N-O 3.01Å; C322-I338 PolarHBondContact O-N 2.92Å; I338-A426 CarbonylContact C-O 3.5Å; I338-A426 VanDerWaalsContact CA-O 3.26Å; I338-A426 WeakPolarHBondContact CA-O 3.45Å; I338-A426 HydrophobicContact CG1-CB 4.37Å; I338-R428 HydrophobicContact CG2-CB 4.16Å |
| 339 | V | 90.4 | Very high | 85.3 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.4 | 171.8 | 180 | 0 | 0 | 0 | 0 | 108.5 | N320 R321 R341 A426 L427 R428 | N320-V339 CarbonylContact O-C 3.16Å; N320-V339 VanDerWaalsContact O-CA 3.23Å; N320-V339 WeakPolarHBondContact O-CA 3.49Å; R321-V339 HydrophobicContact CG-CG2 4.34Å; V339-R341 HydrophobicContact CG1-CG 4.38Å; V339-A426 PolarHBondContact N-O 2.9Å; V339-L427 HydrophobicContact CB-CD1 4.1Å; V339-L427 HydrophobicContact CG1-CD1 4.07Å; V339-L427 CarbonylContact O-C 3.58Å; V339-L427 WeakPolarHBondContact O-CA 3.39Å; V339-L427 WeakPolarHBondContact O-CD1 3.45Å; V339-R428 PolarHBondContact O-N 2.86Å |
| 340 | Q | 90.8 | Very high | 86.2 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.4 | 175 | -64 | -170.7 | -5.3 | 0 | 0 | 110.4 | R309 N320 Y342 R428 | R309-Q340 VanDerWaalsContact CB-NE2 3.35Å; R309-Q340 VanDerWaalsContact CB-OE1 3.27Å; N320-Q340 WeakPolarHBondContact CB-O 3.05Å; N320-Q340 PolarHBondContact O-N 3.05Å; Q340-Y342 PolarHBondContact OE1-OH 3.35Å; Q340-R428 CarbonylContact C-O 3.59Å; Q340-R428 WeakPolarHBondContact CA-O 3.28Å; Q340-R428 HydrophobicContact CG-CB 4.4Å |
| 341 | R | 91.7 | Very high | 86.9 | Confident | 126 Ų | 126 | 62.6 Ų | 62.6 | 48% | 0.475 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.4 | 174.4 | -69.3 | -64 | -176 | -177.3 | 1.4 | 110.1 | V339 L427 R428 L429 S430 | V339-R341 HydrophobicContact CG1-CG 4.38Å; R341-L427 HydrophobicContact CB-CD1 3.92Å; R341-L427 HydrophobicContact CG-CD1 3.53Å; R341-R428 PolarHBondContact N-O 3.32Å; R341-L429 HydrophobicContact CB-CD1 3.73Å; R341-L429 WeakPolarHBondContact O-CA 3.45Å; R341-S430 PolarHBondContact O-N 3.02Å |
| 342 | Y | 91.8 | Very high | 87.7 | Confident | 46 Ų | 46 | 67 Ų | 67 | 18% | 0.18 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.5 | 179.7 | -52.5 | -80.4 | 0 | 0 | 0 | 108.4 | V296 V305 R309 Q340 S430 Y432 | V296-Y342 HydrophobicContact CG1-CG 4.25Å; V296-Y342 HydrophobicContact CG2-CD2 3.9Å; V296-Y342 HydrophobicContact CG2-CE2 4.44Å; V296-Y342 HydrophobicContact CG2-CG 3.99Å; V305-Y342 HydrophobicContact CB-CE1 4.45Å; V305-Y342 HydrophobicContact CG1-CD1 4.33Å; V305-Y342 HydrophobicContact CG1-CE1 3.81Å; V305-Y342 HydrophobicContact CG2-CE2 4.08Å; R309-Y342 VanDerWaalsContact CD-OH 3.3Å; R309-Y342 WeakPolarHBondContact CD-OH 3.01Å; R309-Y342 PolarHBondContact NH1-OH 2.89Å; Q340-Y342 PolarHBondContact OE1-OH 3.35Å; Y342-S430 WeakPolarHBondContact CA-O 3.27Å; Y342-Y432 AromaticContact CD1-CE2 3.99Å; Y342-Y432 HydrophobicContact CD1-CE2 3.99Å |
| 343 | M | 92.1 | Very high | 88.7 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.2 | 171.1 | 62.8 | 179.4 | -72.7 | 0 | 0 | 109.6 | I345 I355 F356 L429 S430 I431 Y432 | M343-I345 HydrophobicContact CE-CG2 3.62Å; M343-I355 HydrophobicContact CE-CB 4.12Å; M343-I355 WeakPolarHBondContact CE-O 3.41Å; M343-F356 HydrophobicContact SD-CB 4Å; M343-F356 HydrophobicContact SD-CD2 3.79Å; M343-F356 HydrophobicContact SD-CG 4.26Å; M343-L429 HydrophobicContact CG-CD1 4.02Å; M343-L429 HydrophobicContact CG-CG 4.5Å; M343-L429 HydrophobicContact SD-CD1 4.06Å; M343-L429 HydrophobicContact SD-CD2 3.97Å; M343-L429 HydrophobicContact SD-CG 4.35Å; M343-S430 PolarHBondContact N-O 3.03Å; M343-I431 HydrophobicContact CG-CB 4.32Å; M343-I431 HydrophobicContact CG-CG1 3.9Å; M343-I431 HydrophobicContact CG-CG2 4.25Å; M343-I431 WeakPolarHBondContact O-CA 3.42Å; M343-I431 HydrophobicContact SD-CG1 4.13Å; M343-Y432 WeakPolarHBondContact O-CD2 3.43Å; M343-Y432 PolarHBondContact O-N 3.22Å |
| 344 | S | 92.5 | Very high | 89.6 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 25% | 0.245 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.5 | 171.2 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | H299 Y432 | H299-S344 PolarHBondContact CD2-OG 3.43Å; S344-Y432 CarbonylContact C-O 3.35Å; S344-Y432 WeakPolarHBondContact CA-O 3Å |
| 345 | I | 92.5 | Very high | 90.2 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 168.9 | 170.7 | 62.4 | 175.6 | 0 | 0 | 0 | 109.1 | M343 L396 V400 I431 Y432 V433 G434 | M343-I345 HydrophobicContact CE-CG2 3.62Å; I345-L396 HydrophobicContact CD1-CD2 4.45Å; I345-V400 HydrophobicContact CD1-CG2 3.89Å; I345-I431 HydrophobicContact CD1-CG2 3.83Å; I345-I431 HydrophobicContact CG1-CG2 3.82Å; I345-I431 HydrophobicContact CG2-CG2 4.4Å; I345-Y432 PolarHBondContact N-O 3Å; I345-V433 HydrophobicContact CD1-CG2 4.11Å; I345-V433 HydrophobicContact CG1-CB 4.47Å; I345-V433 HydrophobicContact CG1-CG1 4.45Å; I345-V433 HydrophobicContact CG1-CG2 3.92Å; I345-V433 CarbonylContact O-C 3.59Å; I345-V433 WeakPolarHBondContact O-CA 3.46Å; I345-G434 PolarHBondContact O-N 3.39Å |
| 346 | T | 90.9 | Very high | 90.7 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 155.2 | -178.6 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | E348 R349 Y436 | T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.01Å; T346-R349 WeakPolarHBondContact O-CB 3.5Å; T346-R349 PolarHBondContact O-N 3.4Å; T346-Y436 WeakPolarHBondContact CB-O 3.39Å; T346-Y436 VanDerWaalsContact CG2-O 3.31Å; T346-Y436 WeakPolarHBondContact CG2-O 3.34Å |
| 347 | S | 88.8 | Confident | 91.3 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.4 | -175.5 | -65.5 | 0 | 0 | 0 | 0 | 114.7 | R349 V400 G402 G434 | S347-R349 VanDerWaalsContact C-N 3.31Å; S347-R349 PolarHBondContact O-N 3.22Å; S347-V400 CarbonylContact C-O 3.49Å; S347-V400 VanDerWaalsContact CA-O 3.27Å; S347-V400 WeakPolarHBondContact CA-O 3.37Å; S347-V400 VanDerWaalsContact O-O 3.07Å; S347-G402 PolarHBondContact OG-N 3.47Å; S347-G434 PolarHBondContact N-O 2.89Å; S347-G434 PolarHBondContact OG-O 3.16Å |
| 348 | E | 83 | Confident | 91.6 | Very high | 163 Ų | 163 | 54 Ų | 54 | 76% | 0.762 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 16.4 | -177.1 | -52.6 | -175.6 | 165.2 | 0 | 0 | 112.9 | T346 S350 A437 | T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.01Å; E348-S350 PolarHBondContact O-N 3.32Å; E348-A437 HydrophobicContact CB-CB 3.56Å; E348-A437 HydrophobicContact CG-CB 3.73Å |
| 349 | R | 87.6 | Confident | 91.7 | Very high | 92 Ų | 92 | 59 Ų | 59 | 35% | 0.347 | 30% | 0.301 | S | S | . | . | trans | -58.2 | 133.1 | 176.9 | -170.4 | 177.8 | -177 | 92.5 | -5.9 | 109.8 | T346 S347 S353 D354 L396 | T346-R349 WeakPolarHBondContact O-CB 3.5Å; T346-R349 PolarHBondContact O-N 3.4Å; S347-R349 VanDerWaalsContact C-N 3.31Å; S347-R349 PolarHBondContact O-N 3.22Å; R349-S353 WeakPolarHBondContact CD-OG 3.44Å; R349-S353 PolarHBondContact NE-OG 3.12Å; R349-D354 PolarHBondContact NH2-O 3.12Å; R349-L396 HydrophobicContact CB-CD2 4.46Å | ||
| 350 | S | 90.6 | Very high | 91.4 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | trans | -60.9 | 145.9 | 177.5 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | E348 S353 | E348-S350 PolarHBondContact O-N 3.32Å; S350-S353 WeakPolarHBondContact O-CB 3.28Å; S350-S353 PolarHBondContact O-OG 3.43Å | ||
| 351 | V | 91.9 | Very high | 90.6 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -129.4 | 139.9 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | L396 A399 | V351-L396 HydrophobicContact CG1-CD2 3.64Å; V351-L396 HydrophobicContact CG1-CG 3.79Å; V351-A399 HydrophobicContact CG2-CB 4.37Å |
| 352 | P | 94 | Very high | 89.5 | Confident | 95 Ų | 95 | 60.1 Ų | 60.1 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | S | Bend | cis | -73.8 | 142.9 | -2.4 | 31.1 | -34.3 | 0 | 0 | 0 | 112.4 | V395 L396 | P352-V395 HydrophobicContact CB-CG1 4.15Å; P352-L396 VanDerWaalsContact CA-O 3.23Å; P352-L396 WeakPolarHBondContact CA-O 3.44Å |
| 353 | S | 94.8 | Very high | 88.5 | Confident | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.7 | 175.7 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | R349 S350 I355 V395 L396 | R349-S353 WeakPolarHBondContact CD-OG 3.44Å; R349-S353 PolarHBondContact NE-OG 3.12Å; S350-S353 WeakPolarHBondContact O-CB 3.28Å; S350-S353 PolarHBondContact O-OG 3.43Å; S353-I355 PolarHBondContact O-N 3.49Å; S353-V395 CarbonylContact O-C 3.59Å; S353-V395 WeakPolarHBondContact O-CA 3.36Å; S353-V395 WeakPolarHBondContact O-CG1 3.21Å; S353-L396 PolarHBondContact N-O 3.2Å; S353-L396 VanDerWaalsContact N-O 3.12Å; S353-L396 PolarHBondContact O-N 3.19Å |
| 354 | D | 95.1 | Very high | 87.6 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 35% | 0.353 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.3 | 172.2 | -67.7 | -1.7 | 0 | 0 | 0 | 108.5 | R349 R385 M393 | R349-D354 PolarHBondContact NH2-O 3.12Å; D354-R385 IonicContact OD1-CZ 3.15Å; D354-R385 IonicContact OD1-NH1 3.87Å; D354-R385 IonicContact OD1-NH2 2.78Å; D354-R385 PolarHBondContact OD1-NH2 2.86Å; D354-R385 IonicContact OD2-CZ 3.71Å; D354-R385 IonicContact OD2-NH2 2.69Å; D354-R385 PolarHBondContact OD2-NH2 3.28Å; D354-M393 HydrophobicContact CB-CE 4.16Å; D354-M393 HydrophobicContact CB-CG 3.72Å; D354-M393 HydrophobicContact CB-SD 3.8Å |
| 355 | I | 94.1 | Very high | 86.8 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -31 | -175.3 | 58.7 | 167.7 | 0 | 0 | 0 | 113.7 | M343 S353 F382 L394 L396 I431 | M343-I355 HydrophobicContact CE-CB 4.12Å; M343-I355 WeakPolarHBondContact CE-O 3.41Å; S353-I355 PolarHBondContact O-N 3.49Å; I355-F382 HydrophobicContact CD1-CD1 3.66Å; I355-F382 HydrophobicContact CD1-CE1 3.51Å; I355-L394 HydrophobicContact CD1-CD2 3.81Å; I355-L394 HydrophobicContact CD1-CG 4.07Å; I355-L394 HydrophobicContact CG1-CB 4.29Å; I355-L394 HydrophobicContact CG1-CD2 4.08Å; I355-L394 HydrophobicContact CG1-CG 4.04Å; I355-L394 VanDerWaalsContact CG1-O 3.27Å; I355-L394 WeakPolarHBondContact CG1-O 3.29Å; I355-L394 PolarHBondContact N-O 3.2Å; I355-L396 HydrophobicContact CD1-CB 4.37Å; I355-L396 HydrophobicContact CG2-CB 3.95Å; I355-I431 HydrophobicContact CD1-CD1 4.09Å |
| 356 | F | 95.2 | Very high | 86 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 21% | 0.211 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 122.4 | -178.2 | -170 | -90.7 | 0 | 0 | 0 | 112.2 | M343 I358 M393 L394 L427 L429 | M343-F356 HydrophobicContact SD-CB 4Å; M343-F356 HydrophobicContact SD-CD2 3.79Å; M343-F356 HydrophobicContact SD-CG 4.26Å; F356-I358 HydrophobicContact CD1-CG1 3.93Å; F356-I358 HydrophobicContact CE1-CG1 4.18Å; F356-M393 VanDerWaalsContact C-SD 3.51Å; F356-M393 VanDerWaalsContact O-SD 3.35Å; F356-L394 HydrophobicContact CB-CB 4.06Å; F356-L394 HydrophobicContact CB-CD2 4.25Å; F356-L394 PolarHBondContact N-O 3.22Å; F356-L394 WeakPolarHBondContact O-CB 3.38Å; F356-L394 PolarHBondContact O-N 3.22Å; F356-L427 HydrophobicContact CD1-CD2 4.33Å; F356-L427 HydrophobicContact CE1-CD2 3.45Å; F356-L427 VanDerWaalsContact CE1-CD2 3.45Å; F356-L427 HydrophobicContact CZ-CD2 3.98Å; F356-L429 HydrophobicContact CB-CD2 4.13Å; F356-L429 HydrophobicContact CD1-CD2 4.16Å; F356-L429 HydrophobicContact CD2-CD1 4.15Å; F356-L429 HydrophobicContact CD2-CD2 4.26Å; F356-L429 HydrophobicContact CE2-CD1 4.07Å; F356-L429 HydrophobicContact CG-CD2 3.92Å; F356-L429 HydrophobicContact CZ-CD1 4.44Å |
| 357 | Q | 94.8 | Very high | 85.6 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.2 | 176.1 | -174 | 175.7 | -13.2 | 0 | 0 | 110.8 | M393 | Q357-M393 HydrophobicContact CB-CE 3.92Å; Q357-M393 HydrophobicContact CB-SD 4.11Å; Q357-M393 HydrophobicContact CG-CE 4.25Å |
| 358 | I | 92.5 | Very high | 85.4 | Confident | 17 Ų | 17 | 77 Ų | 77 | 9% | 0.087 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.4 | 176.6 | -48.4 | 167.1 | 0 | 0 | 0 | 107.9 | F356 F371 I384 S391 A392 L410 | F356-I358 HydrophobicContact CD1-CG1 3.93Å; F356-I358 HydrophobicContact CE1-CG1 4.18Å; I358-F371 HydrophobicContact CB-CD1 4.43Å; I358-F371 HydrophobicContact CB-CE1 4.49Å; I358-F371 HydrophobicContact CG2-CD1 3.82Å; I358-F371 HydrophobicContact CG2-CE1 3.75Å; I358-I384 HydrophobicContact CD1-CD1 4.27Å; I358-S391 CarbonylContact O-C 3.45Å; I358-S391 WeakPolarHBondContact O-CA 3.21Å; I358-S391 VanDerWaalsContact O-CB 3.32Å; I358-S391 WeakPolarHBondContact O-CB 3.32Å; I358-A392 PolarHBondContact N-O 3.12Å; I358-A392 PolarHBondContact O-N 3.47Å; I358-L410 HydrophobicContact CD1-CB 4.46Å; I358-L410 HydrophobicContact CD1-CD1 3.85Å; I358-L410 HydrophobicContact CG1-CD1 4.4Å |
| 359 | Q | 89.9 | Confident | 85.7 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 58% | 0.579 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133.8 | 177.8 | -173.3 | 170.2 | -9.7 | 0 | 0 | 111.3 | I390 | Q359-I390 WeakPolarHBondContact CA-O 3.26Å |
| 360 | A | 84.9 | Confident | 85.8 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | trans | -69.4 | 129.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I390 M412 | A360-I390 HydrophobicContact CB-CB 4.41Å; A360-I390 PolarHBondContact N-O 3.46Å; A360-M412 HydrophobicContact CB-CE 4.35Å; A360-M412 HydrophobicContact CB-SD 3.57Å; A360-M412 VanDerWaalsContact CB-SD 3.57Å | ||
| 361 | T | 74.2 | Confident | 85.9 | Confident | 143 Ų | 143 | 65.2 Ų | 65.2 | 88% | 0.877 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -79.9 | -21.9 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 362 | S | 69.4 | Low | 86 | Confident | 54 Ų | 54 | 68.8 Ų | 68.8 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | trans | -135 | 122.8 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 363 | V | 68.8 | Low | 86 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | trans | -112.1 | 111.5 | -179.3 | -172.6 | 0 | 0 | 0 | 0 | 108.3 | I390 | V363-I390 HydrophobicContact CB-CG2 4.37Å; V363-I390 HydrophobicContact CG1-CG2 3.86Å; V363-I390 HydrophobicContact CG2-CB 4.28Å; V363-I390 HydrophobicContact CG2-CG2 3.52Å | ||
| 364 | Y | 73.7 | Confident | 86 | Confident | 112 Ų | 112 | 71.1 Ų | 71.1 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | trans | -85.8 | 132.3 | 173.8 | -66.2 | -77.4 | 0 | 0 | 0 | 109.8 | G366 A367 Y421 | Y364-G366 PolarHBondContact O-N 3.31Å; Y364-A367 WeakPolarHBondContact O-CB 3.39Å; Y364-A367 PolarHBondContact O-N 3.45Å; Y364-Y421 HydrophobicContact CD2-CE1 4.44Å; Y364-Y421 HydrophobicContact CE2-CE1 4.33Å | ||
| 365 | P | 75.1 | Confident | 85.9 | Confident | 120 Ų | 120 | 70.6 Ų | 70.6 | 78% | 0.779 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 126.5 | 175.3 | -25.1 | 33.8 | 0 | 0 | 0 | 111.3 | A367 N416 | P365-A367 VanDerWaalsContact C-N 3.3Å; P365-A367 PolarHBondContact O-N 3.22Å; P365-N416 PolarHBondContact O-ND2 2.73Å |
| 366 | G | 76.9 | Confident | 85.8 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 4.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y364 | Y364-G366 PolarHBondContact O-N 3.31Š|
| 367 | A | 81.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.025 | 37% | 0.369 | C | S | . | . | trans | -87.5 | 139 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y364 P365 N389 V415 N416 | Y364-A367 WeakPolarHBondContact O-CB 3.39Å; Y364-A367 PolarHBondContact O-N 3.45Å; P365-A367 VanDerWaalsContact C-N 3.3Å; P365-A367 PolarHBondContact O-N 3.22Å; A367-N389 PolarHBondContact O-ND2 3.48Å; A367-V415 WeakPolarHBondContact CA-O 3.44Å; A367-N416 HydrophobicContact CB-CB 4.13Å | ||
| 368 | Y | 85.5 | Confident | 85.5 | Confident | 150 Ų | 150 | 72.8 Ų | 72.8 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.6 | 172.5 | -61.4 | -83.2 | 0 | 0 | 0 | 109.9 | N389 S414 V415 | Y368-N389 VanDerWaalsContact CA-OD1 3.25Å; Y368-N389 WeakPolarHBondContact CA-OD1 3.48Å; Y368-S414 WeakPolarHBondContact O-CA 3.4Å; Y368-V415 PolarHBondContact N-O 3.46Å; Y368-V415 PolarHBondContact O-N 3.4Å |
| 369 | N | 88.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 76.9 Ų | 76.9 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130 | 177.3 | -51 | -55.3 | 0 | 0 | 0 | 110.1 | F371 Q386 N389 M412 V413 S414 | N369-F371 HydrophobicContact CB-CE2 4.08Å; N369-F371 HydrophobicContact CB-CZ 4.22Å; N369-Q386 PolarHBondContact O-NE2 2.04Å; N369-N389 VanDerWaalsContact CB-O 3.24Å; N369-N389 WeakPolarHBondContact CB-O 3.39Å; N369-N389 PolarHBondContact N-OD1 3.47Å; N369-N389 PolarHBondContact ND2-O 3.48Å; N369-M412 HydrophobicContact CB-CG 4.21Å; N369-M412 HydrophobicContact CB-SD 4.39Å; N369-V413 WeakPolarHBondContact CA-O 3.43Å; N369-S414 WeakPolarHBondContact OD1-CB 3.41Å; N369-S414 PolarHBondContact OD1-OG 2.81Å |
| 370 | T | 90.1 | Very high | 85.5 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.5 | 172.4 | -54.2 | 0 | 0 | 0 | 0 | 108.8 | M412 V413 | T370-M412 WeakPolarHBondContact O-CA 3.42Å; T370-V413 PolarHBondContact N-O 3.15Å; T370-V413 PolarHBondContact O-N 3.12Å |
| 371 | F | 93.3 | Very high | 86 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.4 | -179.2 | -59 | -91.7 | 0 | 0 | 0 | 109.5 | I358 N369 I384 A392 E411 M412 | I358-F371 HydrophobicContact CB-CD1 4.43Å; I358-F371 HydrophobicContact CB-CE1 4.49Å; I358-F371 HydrophobicContact CG2-CD1 3.82Å; I358-F371 HydrophobicContact CG2-CE1 3.75Å; N369-F371 HydrophobicContact CB-CE2 4.08Å; N369-F371 HydrophobicContact CB-CZ 4.22Å; F371-I384 HydrophobicContact CB-CD1 4.4Å; F371-I384 HydrophobicContact CB-CG2 3.93Å; F371-A392 HydrophobicContact CB-CB 3.82Å; F371-A392 HydrophobicContact CD1-CB 4.25Å; F371-A392 HydrophobicContact CD2-CB 3.65Å; F371-A392 HydrophobicContact CE2-CB 4.26Å; F371-A392 HydrophobicContact CG-CB 3.64Å; F371-E411 WeakPolarHBondContact CA-O 3.1Å; F371-M412 HydrophobicContact CD1-CB 3.98Å; F371-M412 HydrophobicContact CD1-CG 3.97Å; F371-M412 HydrophobicContact CE1-CB 3.94Å; F371-M412 HydrophobicContact CE1-CG 3.57Å; F371-M412 HydrophobicContact CE1-SD 3.68Å; F371-M412 HydrophobicContact CZ-CG 4.05Å; F371-M412 HydrophobicContact CZ-SD 3.96Å |
| 372 | R | 93.3 | Very high | 87 | Confident | 137 Ų | 137 | 66.4 Ų | 66.4 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 153.3 | 178.2 | 65 | -179.9 | -178.7 | -179 | -0.2 | 112.2 | E411 | R372-E411 HydrophobicContact CG-CB 4.13Å; R372-E411 IonicContact CZ-OE2 3.63Å; R372-E411 PolarHBondContact N-O 3.24Å; R372-E411 IonicContact NE-OE2 2.83Å; R372-E411 PolarHBondContact NE-OE2 2.86Å; R372-E411 IonicContact NH2-OE1 3.69Å; R372-E411 IonicContact NH2-OE2 3.76Å; R372-E411 PolarHBondContact NH2-OE2 3.46Å; R372-E411 PolarHBondContact O-N 3.33Å |
| 373 | I | 95.1 | Very high | 88.3 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 22% | 0.221 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.9 | 166.7 | -50.9 | 173.8 | 0 | 0 | 0 | 106.6 | D377 F382 I384 L394 L410 | I373-D377 HydrophobicContact CD1-CB 4.39Å; I373-D377 HydrophobicContact CG2-CB 3.99Å; I373-F382 HydrophobicContact CD1-CB 3.94Å; I373-I384 HydrophobicContact CD1-CG1 4.31Å; I373-I384 HydrophobicContact CG1-CD1 3.73Å; I373-I384 HydrophobicContact CG1-CG1 3.76Å; I373-L394 HydrophobicContact CD1-CD1 4.16Å; I373-L394 HydrophobicContact CG1-CD1 4.49Å; I373-L410 HydrophobicContact CB-CD2 4.37Å; I373-L410 HydrophobicContact CG1-CD2 3.89Å; I373-L410 HydrophobicContact CG2-CD2 4.32Å |
| 374 | R | 92.9 | Very high | 89.6 | Confident | 113 Ų | 113 | 65.8 Ų | 65.8 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -40.6 | -179.2 | -175.1 | -176.8 | 176.8 | -161.5 | 1.9 | 111.5 | D409 E411 | R374-D409 WeakPolarHBondContact CA-O 3.33Å; R374-D409 HydrophobicContact CB-CB 4.3Å; R374-D409 VanDerWaalsContact CB-O 3.25Å; R374-D409 WeakPolarHBondContact CB-O 3.03Å; R374-D409 PolarHBondContact N-O 3.42Å; R374-E411 HydrophobicContact CB-CB 4.3Å |
| 375 | S | 93.6 | Very high | 90.6 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 165.9 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 111 | D409 | S375-D409 PolarHBondContact O-N 3.15Å; S375-D409 WeakPolarHBondContact OG-CB 3.3Å; S375-D409 PolarHBondContact OG-OD2 3.44Å |
| 376 | G | 91.7 | Very high | 91.5 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 104.6 | -14 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | T407 L408 | G376-T407 VanDerWaalsContact CA-O 3.26Å; G376-T407 WeakPolarHBondContact CA-O 3.01Å; G376-L408 WeakPolarHBondContact O-CD2 3.41Å |
| 377 | D | 93.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 66.5 Ų | 66.5 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | trans | -111 | 77.6 | 177.9 | 179.8 | 32.3 | 0 | 0 | 0 | 110.1 | I373 G380 D381 F382 L408 | I373-D377 HydrophobicContact CD1-CB 4.39Å; I373-D377 HydrophobicContact CG2-CB 3.99Å; D377-G380 VanDerWaalsContact OD1-CA 3.32Å; D377-G380 WeakPolarHBondContact OD1-CA 3.36Å; D377-G380 PolarHBondContact OD1-N 3.46Å; D377-G380 VanDerWaalsContact OD1-N 3.12Å; D377-D381 PolarHBondContact OD1-N 2.89Å; D377-F382 HydrophobicContact CB-CD2 4.35Å; D377-F382 PolarHBondContact OD1-N 3.32Å; D377-F382 PolarHBondContact OD2-N 2.85Å; D377-L408 HydrophobicContact CB-CD2 4Å | ||
| 378 | H | 89.4 | Confident | 92.7 | Very high | 171 Ų | 171 | 69.8 Ų | 69.8 | 79% | 0.792 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -77.8 | -30.6 | -175.9 | -63.5 | 88.9 | 0 | 0 | 0 | 112.4 | ||
| 379 | D | 90.6 | Very high | 92.8 | Very high | 104 Ų | 104 | 65.4 Ų | 65.4 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -95.1 | -8.2 | -173.7 | -62.1 | -53.2 | 0 | 0 | 0 | 113.3 | R398 | D379-R398 PolarHBondContact O-NH1 2.77Š|
| 380 | G | 92.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | trans | 73.7 | 35.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | D377 | D377-G380 VanDerWaalsContact OD1-CA 3.32Å; D377-G380 WeakPolarHBondContact OD1-CA 3.36Å; D377-G380 PolarHBondContact OD1-N 3.46Å; D377-G380 VanDerWaalsContact OD1-N 3.12Å | ||
| 381 | D | 94.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | trans | -78.2 | -16.7 | 179.3 | -63.7 | -36 | 0 | 0 | 0 | 111.4 | D377 A397 V400 | D377-D381 PolarHBondContact OD1-N 2.89Å; D381-A397 PolarHBondContact O-N 2.83Å; D381-V400 HydrophobicContact CB-CG1 4.1Å | ||
| 382 | F | 96.3 | Very high | 93 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.6 | -178.8 | -53.7 | -85.2 | 0 | 0 | 0 | 111.7 | I355 I373 D377 L394 V395 L396 Y406 L408 I431 | I355-F382 HydrophobicContact CD1-CD1 3.66Å; I355-F382 HydrophobicContact CD1-CE1 3.51Å; I373-F382 HydrophobicContact CD1-CB 3.94Å; D377-F382 HydrophobicContact CB-CD2 4.35Å; D377-F382 PolarHBondContact OD1-N 3.32Å; D377-F382 PolarHBondContact OD2-N 2.85Å; F382-L394 HydrophobicContact CB-CD1 4.03Å; F382-L394 HydrophobicContact CD1-CG 4.5Å; F382-V395 WeakPolarHBondContact CA-O 3.34Å; F382-L396 HydrophobicContact CD1-CD1 3.99Å; F382-L396 HydrophobicContact CE1-CD1 3.51Å; F382-L396 HydrophobicContact CZ-CD1 4.02Å; F382-Y406 AromaticContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD2 4.43Å; F382-Y406 AromaticContact CE2-CE1 3.87Å; F382-Y406 HydrophobicContact CE2-CE1 3.87Å; F382-Y406 AromaticContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CZ-CD1 4.22Å; F382-Y406 HydrophobicContact CZ-CD2 4.28Å; F382-Y406 HydrophobicContact CZ-CG 4.08Å; F382-L408 HydrophobicContact CB-CD1 4.38Å; F382-L408 HydrophobicContact CD1-CD1 4.28Å; F382-L408 HydrophobicContact CD2-CD1 3.95Å; F382-L408 HydrophobicContact CD2-CD2 4.26Å; F382-L408 HydrophobicContact CE2-CD1 4.33Å; F382-L408 HydrophobicContact CG-CD1 3.93Å; F382-I431 HydrophobicContact CE1-CD1 3.93Å; F382-I431 HydrophobicContact CZ-CD1 4.15Å |
| 383 | Y | 96.3 | Very high | 93.1 | Very high | 92 Ų | 92 | 58 Ų | 58 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 159.4 | 164.4 | 68.7 | -82.6 | 0 | 0 | 0 | 110.7 | R385 V395 A397 | Y383-R385 HydrophobicContact CE2-CB 4.2Å; Y383-V395 HydrophobicContact CD1-CB 4.09Å; Y383-V395 HydrophobicContact CD1-CG1 4.41Å; Y383-V395 HydrophobicContact CD2-CB 4.42Å; Y383-V395 HydrophobicContact CE1-CB 3.65Å; Y383-V395 HydrophobicContact CE1-CG1 3.55Å; Y383-V395 HydrophobicContact CE2-CB 4.01Å; Y383-V395 HydrophobicContact CE2-CG1 4.4Å; Y383-V395 HydrophobicContact CE2-CG2 4.13Å; Y383-V395 HydrophobicContact CG-CB 4.46Å; Y383-V395 PolarHBondContact N-O 3Å; Y383-V395 PolarHBondContact O-N 3.31Å; Y383-V395 WeakPolarHBondContact OH-CG1 3.43Å; Y383-A397 HydrophobicContact CD1-CB 3.55Å; Y383-A397 HydrophobicContact CE1-CB 3.8Å |
| 384 | I | 96.3 | Very high | 93.2 | Very high | 35 Ų | 35 | 56 Ų | 56 | 18% | 0.179 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.1 | 175.8 | -67.5 | 179.1 | 0 | 0 | 0 | 109.4 | I358 F371 I373 A392 M393 L394 L410 | I358-I384 HydrophobicContact CD1-CD1 4.27Å; F371-I384 HydrophobicContact CB-CD1 4.4Å; F371-I384 HydrophobicContact CB-CG2 3.93Å; I373-I384 HydrophobicContact CD1-CG1 4.31Å; I373-I384 HydrophobicContact CG1-CD1 3.73Å; I373-I384 HydrophobicContact CG1-CG1 3.76Å; I384-A392 HydrophobicContact CG2-CB 3.71Å; I384-M393 WeakPolarHBondContact CA-O 3.28Å; I384-L394 HydrophobicContact CG1-CD1 4.12Å; I384-L410 HydrophobicContact CD1-CD2 4.25Å |
| 385 | R | 95.8 | Very high | 93.4 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112.4 | 169.5 | -173.1 | 174.2 | 67.9 | -152.6 | -4.6 | 109.1 | D354 Y383 I387 A392 M393 V395 | D354-R385 IonicContact OD1-CZ 3.15Å; D354-R385 IonicContact OD1-NH1 3.87Å; D354-R385 IonicContact OD1-NH2 2.78Å; D354-R385 PolarHBondContact OD1-NH2 2.86Å; D354-R385 IonicContact OD2-CZ 3.71Å; D354-R385 IonicContact OD2-NH2 2.69Å; D354-R385 PolarHBondContact OD2-NH2 3.28Å; Y383-R385 HydrophobicContact CE2-CB 4.2Å; R385-I387 PolarHBondContact O-N 2.84Å; R385-A392 WeakPolarHBondContact O-CA 3.44Å; R385-M393 PolarHBondContact N-O 3.22Å; R385-M393 PolarHBondContact O-N 3.18Å; R385-V395 HydrophobicContact CB-CG2 4.06Å |
| 386 | Q | 93.3 | Very high | 93.5 | Very high | 98 Ų | 98 | 48 Ų | 48 | 46% | 0.458 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.1 | 176.2 | -172.9 | 157.3 | 7.7 | 0 | 0 | 110.4 | N369 N388 | N369-Q386 PolarHBondContact O-NE2 2.04Å; Q386-N388 WeakPolarHBondContact CG-O 3.26Å; Q386-N388 PolarHBondContact NE2-O 2.96Å; Q386-N388 VanDerWaalsContact NE2-O 3.13Å |
| 387 | I | 93.5 | Very high | 93.7 | Very high | 85 Ų | 85 | 49 Ų | 49 | 44% | 0.436 | 25% | 0.249 | S | C | . | . | trans | -93.1 | -50.4 | 179.5 | -58.7 | 173.3 | 0 | 0 | 0 | 109.3 | R385 S391 M393 | R385-I387 PolarHBondContact O-N 2.84Å; I387-S391 PolarHBondContact N-O 3.49Å; I387-S391 VanDerWaalsContact N-O 3.07Å; I387-M393 HydrophobicContact CD1-CB 4.17Å; I387-M393 HydrophobicContact CD1-CE 4.37Å; I387-M393 HydrophobicContact CG1-CB 4.45Å | ||
| 388 | N | 89.8 | Confident | 93.6 | Very high | 72 Ų | 72 | 54 Ų | 54 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -153.9 | -168.6 | 178 | 61.1 | 46.3 | 0 | 0 | 0 | 110.2 | Q386 I390 S391 | Q386-N388 WeakPolarHBondContact CG-O 3.26Å; Q386-N388 PolarHBondContact NE2-O 2.96Å; Q386-N388 VanDerWaalsContact NE2-O 3.13Å; N388-I390 PolarHBondContact O-N 2.95Å; N388-I390 WeakPolarHBondContact OD1-CA 3.3Å; N388-I390 WeakPolarHBondContact OD1-CG1 3.08Å; N388-I390 PolarHBondContact OD1-N 3.01Å; N388-S391 PolarHBondContact N-O 3.42Å; N388-S391 VanDerWaalsContact N-O 3.12Å; N388-S391 PolarHBondContact ND2-OG 2.97Å; N388-S391 PolarHBondContact OD1-N 3.26Å; N388-S391 PolarHBondContact OD1-OG 2.77Å; N388-S391 VanDerWaalsContact OD1-OG 3.14Å |
| 389 | N | 87.6 | Confident | 93.7 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 31% | 0.305 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -71 | -8.3 | -178.4 | -167.4 | 39.1 | 0 | 0 | 0 | 114 | A367 Y368 N369 | A367-N389 PolarHBondContact O-ND2 3.48Å; Y368-N389 VanDerWaalsContact CA-OD1 3.25Å; Y368-N389 WeakPolarHBondContact CA-OD1 3.48Å; N369-N389 VanDerWaalsContact CB-O 3.24Å; N369-N389 WeakPolarHBondContact CB-O 3.39Å; N369-N389 PolarHBondContact N-OD1 3.47Å; N369-N389 PolarHBondContact ND2-O 3.48Å |
| 390 | I | 88.8 | Confident | 93.7 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -127.6 | -7.5 | -176 | 64 | 166.3 | 0 | 0 | 0 | 113 | Q359 A360 V363 N388 | Q359-I390 WeakPolarHBondContact CA-O 3.26Å; A360-I390 HydrophobicContact CB-CB 4.41Å; A360-I390 PolarHBondContact N-O 3.46Å; V363-I390 HydrophobicContact CB-CG2 4.37Å; V363-I390 HydrophobicContact CG1-CG2 3.86Å; V363-I390 HydrophobicContact CG2-CB 4.28Å; V363-I390 HydrophobicContact CG2-CG2 3.52Å; N388-I390 PolarHBondContact O-N 2.95Å; N388-I390 WeakPolarHBondContact OD1-CA 3.3Å; N388-I390 WeakPolarHBondContact OD1-CG1 3.08Å; N388-I390 PolarHBondContact OD1-N 3.01Å |
| 391 | S | 92.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.1 | 178.7 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | I358 I387 N388 | I358-S391 CarbonylContact O-C 3.45Å; I358-S391 WeakPolarHBondContact O-CA 3.21Å; I358-S391 VanDerWaalsContact O-CB 3.32Å; I358-S391 WeakPolarHBondContact O-CB 3.32Å; I387-S391 PolarHBondContact N-O 3.49Å; I387-S391 VanDerWaalsContact N-O 3.07Å; N388-S391 PolarHBondContact N-O 3.42Å; N388-S391 VanDerWaalsContact N-O 3.12Å; N388-S391 PolarHBondContact ND2-OG 2.97Å; N388-S391 PolarHBondContact OD1-N 3.26Å; N388-S391 PolarHBondContact OD1-OG 2.77Å; N388-S391 VanDerWaalsContact OD1-OG 3.14Å |
| 392 | A | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 160.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I358 F371 I384 R385 | I358-A392 PolarHBondContact N-O 3.12Å; I358-A392 PolarHBondContact O-N 3.47Å; F371-A392 HydrophobicContact CB-CB 3.82Å; F371-A392 HydrophobicContact CD1-CB 4.25Å; F371-A392 HydrophobicContact CD2-CB 3.65Å; F371-A392 HydrophobicContact CE2-CB 4.26Å; F371-A392 HydrophobicContact CG-CB 3.64Å; I384-A392 HydrophobicContact CG2-CB 3.71Å; R385-A392 WeakPolarHBondContact O-CA 3.44Å |
| 393 | M | 96.3 | Very high | 93 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.1 | 175.4 | -170 | 61.3 | 72.5 | 0 | 0 | 109.6 | D354 F356 Q357 I384 R385 I387 V395 | D354-M393 HydrophobicContact CB-CE 4.16Å; D354-M393 HydrophobicContact CB-CG 3.72Å; D354-M393 HydrophobicContact CB-SD 3.8Å; F356-M393 VanDerWaalsContact C-SD 3.51Å; F356-M393 VanDerWaalsContact O-SD 3.35Å; Q357-M393 HydrophobicContact CB-CE 3.92Å; Q357-M393 HydrophobicContact CB-SD 4.11Å; Q357-M393 HydrophobicContact CG-CE 4.25Å; I384-M393 WeakPolarHBondContact CA-O 3.28Å; R385-M393 PolarHBondContact N-O 3.22Å; R385-M393 PolarHBondContact O-N 3.18Å; I387-M393 HydrophobicContact CD1-CB 4.17Å; I387-M393 HydrophobicContact CD1-CE 4.37Å; I387-M393 HydrophobicContact CG1-CB 4.45Å; M393-V395 HydrophobicContact CB-CG2 4.24Å; M393-V395 HydrophobicContact CG-CG2 3.91Å |
| 394 | L | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.4 | 161.6 | -174.2 | 70.2 | 0 | 0 | 0 | 108 | I355 F356 I373 F382 I384 L408 L410 L429 I431 | I355-L394 HydrophobicContact CD1-CD2 3.81Å; I355-L394 HydrophobicContact CD1-CG 4.07Å; I355-L394 HydrophobicContact CG1-CB 4.29Å; I355-L394 HydrophobicContact CG1-CD2 4.08Å; I355-L394 HydrophobicContact CG1-CG 4.04Å; I355-L394 VanDerWaalsContact CG1-O 3.27Å; I355-L394 WeakPolarHBondContact CG1-O 3.29Å; I355-L394 PolarHBondContact N-O 3.2Å; F356-L394 HydrophobicContact CB-CB 4.06Å; F356-L394 HydrophobicContact CB-CD2 4.25Å; F356-L394 PolarHBondContact N-O 3.22Å; F356-L394 WeakPolarHBondContact O-CB 3.38Å; F356-L394 PolarHBondContact O-N 3.22Å; I373-L394 HydrophobicContact CD1-CD1 4.16Å; I373-L394 HydrophobicContact CG1-CD1 4.49Å; F382-L394 HydrophobicContact CB-CD1 4.03Å; F382-L394 HydrophobicContact CD1-CG 4.5Å; I384-L394 HydrophobicContact CG1-CD1 4.12Å; L394-L408 HydrophobicContact CD1-CD1 4.3Å; L394-L408 HydrophobicContact CD2-CD1 3.87Å; L394-L410 HydrophobicContact CD1-CD2 4.19Å; L394-L410 HydrophobicContact CD2-CD1 4.37Å; L394-L429 HydrophobicContact CD2-CD2 3.66Å; L394-I431 HydrophobicContact CD2-CD1 4.06Å |
| 395 | V | 96.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.8 | -176.8 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | P352 S353 F382 Y383 R385 M393 A397 | P352-V395 HydrophobicContact CB-CG1 4.15Å; S353-V395 CarbonylContact O-C 3.59Å; S353-V395 WeakPolarHBondContact O-CA 3.36Å; S353-V395 WeakPolarHBondContact O-CG1 3.21Å; F382-V395 WeakPolarHBondContact CA-O 3.34Å; Y383-V395 HydrophobicContact CD1-CB 4.09Å; Y383-V395 HydrophobicContact CD1-CG1 4.41Å; Y383-V395 HydrophobicContact CD2-CB 4.42Å; Y383-V395 HydrophobicContact CE1-CB 3.65Å; Y383-V395 HydrophobicContact CE1-CG1 3.55Å; Y383-V395 HydrophobicContact CE2-CB 4.01Å; Y383-V395 HydrophobicContact CE2-CG1 4.4Å; Y383-V395 HydrophobicContact CE2-CG2 4.13Å; Y383-V395 HydrophobicContact CG-CB 4.46Å; Y383-V395 PolarHBondContact N-O 3Å; Y383-V395 PolarHBondContact O-N 3.31Å; Y383-V395 WeakPolarHBondContact OH-CG1 3.43Å; R385-V395 HydrophobicContact CB-CG2 4.06Å; M393-V395 HydrophobicContact CB-CG2 4.24Å; M393-V395 HydrophobicContact CG-CG2 3.91Å; V395-A397 PolarHBondContact O-N 2.04Å |
| 396 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 113.6 | 168.6 | -176.2 | 68.1 | 0 | 0 | 0 | 108.2 | I345 R349 V351 P352 S353 I355 F382 R398 V400 | I345-L396 HydrophobicContact CD1-CD2 4.45Å; R349-L396 HydrophobicContact CB-CD2 4.46Å; V351-L396 HydrophobicContact CG1-CD2 3.64Å; V351-L396 HydrophobicContact CG1-CG 3.79Å; P352-L396 VanDerWaalsContact CA-O 3.23Å; P352-L396 WeakPolarHBondContact CA-O 3.44Å; S353-L396 PolarHBondContact N-O 3.2Å; S353-L396 VanDerWaalsContact N-O 3.12Å; S353-L396 PolarHBondContact O-N 3.19Å; I355-L396 HydrophobicContact CD1-CB 4.37Å; I355-L396 HydrophobicContact CG2-CB 3.95Å; F382-L396 HydrophobicContact CD1-CD1 3.99Å; F382-L396 HydrophobicContact CE1-CD1 3.51Å; F382-L396 HydrophobicContact CZ-CD1 4.02Å; L396-R398 VanDerWaalsContact CD1-O 3.24Å; L396-R398 WeakPolarHBondContact CD1-O 3.02Å; L396-R398 VanDerWaalsContact CG-O 3.26Å; L396-R398 WeakPolarHBondContact CG-O 3.45Å; L396-V400 HydrophobicContact CD1-CG1 3.92Å; L396-V400 HydrophobicContact CD1-CG2 4.11Å; L396-V400 HydrophobicContact CD2-CG2 4.29Å |
| 397 | A | 94.7 | Very high | 92.5 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | trans | -86.1 | -32.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D381 Y383 V395 | D381-A397 PolarHBondContact O-N 2.83Å; Y383-A397 HydrophobicContact CD1-CB 3.55Å; Y383-A397 HydrophobicContact CE1-CB 3.8Å; V395-A397 PolarHBondContact O-N 2.04Å | ||
| 398 | R | 92.3 | Very high | 92.6 | Very high | 140 Ų | 140 | 45 Ų | 45 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -132.8 | 149.9 | -174.7 | -66.5 | -178.7 | -179.8 | 160.7 | 6.2 | 111 | D379 L396 V400 | D379-R398 PolarHBondContact O-NH1 2.77Å; L396-R398 VanDerWaalsContact CD1-O 3.24Å; L396-R398 WeakPolarHBondContact CD1-O 3.02Å; L396-R398 VanDerWaalsContact CG-O 3.26Å; L396-R398 WeakPolarHBondContact CG-O 3.45Å; R398-V400 PolarHBondContact O-N 3.33Å |
| 399 | A | 91.4 | Very high | 92.8 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 53% | 0.529 | 24% | 0.24 | S | C | . | . | trans | -63.5 | 131 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V351 | V351-A399 HydrophobicContact CG2-CB 4.37Š| ||
| 400 | V | 91.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | trans | -110.3 | 138.8 | 178 | -71.5 | 0 | 0 | 0 | 0 | 108.4 | I345 S347 D381 L396 R398 Y406 V433 | I345-V400 HydrophobicContact CD1-CG2 3.89Å; S347-V400 CarbonylContact C-O 3.49Å; S347-V400 VanDerWaalsContact CA-O 3.27Å; S347-V400 WeakPolarHBondContact CA-O 3.37Å; S347-V400 VanDerWaalsContact O-O 3.07Å; D381-V400 HydrophobicContact CB-CG1 4.1Å; L396-V400 HydrophobicContact CD1-CG1 3.92Å; L396-V400 HydrophobicContact CD1-CG2 4.11Å; L396-V400 HydrophobicContact CD2-CG2 4.29Å; R398-V400 PolarHBondContact O-N 3.33Å; V400-Y406 HydrophobicContact CB-CE2 4.42Å; V400-Y406 HydrophobicContact CG1-CE2 4.23Å; V400-V433 HydrophobicContact CB-CG2 4.42Å; V400-V433 HydrophobicContact CG2-CG1 3.92Å; V400-V433 HydrophobicContact CG2-CG2 3.9Å | ||
| 401 | T | 89.9 | Confident | 93.4 | Very high | 109 Ų | 109 | 38.2 Ų | 38.2 | 67% | 0.669 | 22% | 0.217 | S | C | * | . | trans | -111.5 | 121.1 | -178.9 | -34 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 402 | G | 87.6 | Confident | 93.3 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -83.1 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S347 V433 | S347-G402 PolarHBondContact OG-N 3.47Å; G402-V433 WeakPolarHBondContact CA-O 3.06Å |
| 403 | P | 90.8 | Very high | 93 | Very high | 113 Ų | 113 | 40.1 Ų | 40.1 | 73% | 0.734 | 23% | 0.227 | S | C | * | . | S | Bend | cis | -77.5 | 123.2 | -0.1 | 30.4 | -32.7 | 0 | 0 | 0 | 111.9 | V433 | P403-V433 WeakPolarHBondContact CA-O 3.47Š|
| 404 | Q | 90.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 39.2 Ų | 39.2 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 150.3 | 178.8 | -169.2 | 177.1 | 2.5 | 0 | 0 | 111.2 | Y406 V433 | Q404-Y406 HydrophobicContact CB-CE2 4.36Å; Q404-Y406 HydrophobicContact CG-CE2 4.02Å; Q404-Y406 PolarHBondContact NE2-OH 3.48Å; Q404-Y406 PolarHBondContact OE1-OH 3.35Å; Q404-V433 PolarHBondContact N-O 2.82Å; Q404-V433 PolarHBondContact O-N 2.04Å |
| 405 | E | 92.7 | Very high | 92 | Very high | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.6 | 172.9 | -176.1 | -177.7 | 175.4 | 0 | 0 | 110.9 | S430 I431 Y432 | E405-S430 PolarHBondContact OE1-OG 3.34Å; E405-I431 WeakPolarHBondContact CA-O 3.31Å; E405-Y432 HydrophobicContact CB-CD1 4.15Å; E405-Y432 HydrophobicContact CB-CE1 4.38Å; E405-Y432 HydrophobicContact CG-CD1 3.83Å; E405-Y432 HydrophobicContact CG-CE1 3.73Å |
| 406 | Y | 94.3 | Very high | 91.5 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 7% | 0.071 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.2 | 169 | -64.6 | -98 | 0 | 0 | 0 | 109.5 | F382 V400 Q404 S430 I431 V433 | F382-Y406 AromaticContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD2 4.43Å; F382-Y406 AromaticContact CE2-CE1 3.87Å; F382-Y406 HydrophobicContact CE2-CE1 3.87Å; F382-Y406 AromaticContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CZ-CD1 4.22Å; F382-Y406 HydrophobicContact CZ-CD2 4.28Å; F382-Y406 HydrophobicContact CZ-CG 4.08Å; V400-Y406 HydrophobicContact CB-CE2 4.42Å; V400-Y406 HydrophobicContact CG1-CE2 4.23Å; Q404-Y406 HydrophobicContact CB-CE2 4.36Å; Q404-Y406 HydrophobicContact CG-CE2 4.02Å; Q404-Y406 PolarHBondContact NE2-OH 3.48Å; Q404-Y406 PolarHBondContact OE1-OH 3.35Å; Y406-S430 CarbonylContact O-C 3.55Å; Y406-S430 VanDerWaalsContact O-CA 3.31Å; Y406-S430 WeakPolarHBondContact O-CA 3.29Å; Y406-I431 PolarHBondContact N-O 3.4Å; Y406-I431 PolarHBondContact O-N 2.64Å; Y406-V433 HydrophobicContact CD2-CG2 3.94Å; Y406-V433 HydrophobicContact CE2-CG2 3.79Å |
| 407 | T | 94.7 | Very high | 90.7 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 37% | 0.368 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 99.9 | 170.4 | -61.4 | 0 | 0 | 0 | 0 | 109.1 | G376 R428 | G376-T407 VanDerWaalsContact CA-O 3.26Å; G376-T407 WeakPolarHBondContact CA-O 3.01Å; T407-R428 HydrophobicContact CG2-CG 3.79Å |
| 408 | L | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.1 | -179 | -55 | -175.8 | 0 | 0 | 0 | 110.7 | G376 D377 F382 L394 L410 R428 L429 I431 | G376-L408 WeakPolarHBondContact O-CD2 3.41Å; D377-L408 HydrophobicContact CB-CD2 4Å; F382-L408 HydrophobicContact CB-CD1 4.38Å; F382-L408 HydrophobicContact CD1-CD1 4.28Å; F382-L408 HydrophobicContact CD2-CD1 3.95Å; F382-L408 HydrophobicContact CD2-CD2 4.26Å; F382-L408 HydrophobicContact CE2-CD1 4.33Å; F382-L408 HydrophobicContact CG-CD1 3.93Å; L394-L408 HydrophobicContact CD1-CD1 4.3Å; L394-L408 HydrophobicContact CD2-CD1 3.87Å; L408-L410 HydrophobicContact CB-CD2 3.99Å; L408-L410 HydrophobicContact CB-CG 4.33Å; L408-L410 HydrophobicContact CD1-CD2 4.5Å; L408-R428 CarbonylContact O-C 3.57Å; L408-R428 WeakPolarHBondContact O-CA 3.05Å; L408-L429 PolarHBondContact N-O 2.85Å; L408-L429 PolarHBondContact O-N 3.26Å; L408-I431 HydrophobicContact CD1-CD1 3.74Å; L408-I431 HydrophobicContact CG-CD1 4.35Å |
| 409 | D | 94.1 | Very high | 89.5 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 104.7 | 167.6 | -76.4 | -25.8 | 0 | 0 | 0 | 108.8 | R374 S375 R428 | R374-D409 WeakPolarHBondContact CA-O 3.33Å; R374-D409 HydrophobicContact CB-CB 4.3Å; R374-D409 VanDerWaalsContact CB-O 3.25Å; R374-D409 WeakPolarHBondContact CB-O 3.03Å; R374-D409 PolarHBondContact N-O 3.42Å; S375-D409 PolarHBondContact O-N 3.15Å; S375-D409 WeakPolarHBondContact OG-CB 3.3Å; S375-D409 PolarHBondContact OG-OD2 3.44Å; D409-R428 WeakPolarHBondContact OD1-CB 3.44Å; D409-R428 WeakPolarHBondContact OD1-CG 3.44Å; D409-R428 IonicContact OD1-CZ 3.66Å; D409-R428 IonicContact OD1-NE 3.84Å; D409-R428 PolarHBondContact OD1-NE 2.89Å; D409-R428 IonicContact OD1-NH2 3.3Å; D409-R428 PolarHBondContact OD1-NH2 2.97Å; D409-R428 IonicContact OD2-CZ 3.59Å; D409-R428 IonicContact OD2-NE 3.69Å; D409-R428 IonicContact OD2-NH2 2.81Å; D409-R428 PolarHBondContact OD2-NH2 3.29Å |
| 410 | L | 94.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.6 | 179.9 | -50.3 | 176.4 | 0 | 0 | 0 | 108.7 | I358 I373 I384 L394 L408 A426 L427 L429 | I358-L410 HydrophobicContact CD1-CB 4.46Å; I358-L410 HydrophobicContact CD1-CD1 3.85Å; I358-L410 HydrophobicContact CG1-CD1 4.4Å; I373-L410 HydrophobicContact CB-CD2 4.37Å; I373-L410 HydrophobicContact CG1-CD2 3.89Å; I373-L410 HydrophobicContact CG2-CD2 4.32Å; I384-L410 HydrophobicContact CD1-CD2 4.25Å; L394-L410 HydrophobicContact CD1-CD2 4.19Å; L394-L410 HydrophobicContact CD2-CD1 4.37Å; L408-L410 HydrophobicContact CB-CD2 3.99Å; L408-L410 HydrophobicContact CB-CG 4.33Å; L408-L410 HydrophobicContact CD1-CD2 4.5Å; L410-A426 CarbonylContact O-C 3.48Å; L410-A426 VanDerWaalsContact O-CA 3.27Å; L410-A426 WeakPolarHBondContact O-CA 3.46Å; L410-L427 HydrophobicContact CB-CB 4.29Å; L410-L427 HydrophobicContact CD1-CD2 4.1Å; L410-L427 HydrophobicContact CD1-CG 4.48Å; L410-L427 PolarHBondContact N-O 3.33Å; L410-L427 PolarHBondContact O-N 3.29Å; L410-L429 HydrophobicContact CD1-CB 4.25Å; L410-L429 HydrophobicContact CD1-CD2 4.1Å |
| 411 | E | 92.4 | Very high | 87.8 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.9 | -176.9 | -171 | -178.8 | -158.5 | 0 | 0 | 111.1 | F371 R372 R374 V413 S424 | F371-E411 WeakPolarHBondContact CA-O 3.1Å; R372-E411 HydrophobicContact CG-CB 4.13Å; R372-E411 IonicContact CZ-OE2 3.63Å; R372-E411 PolarHBondContact N-O 3.24Å; R372-E411 IonicContact NE-OE2 2.83Å; R372-E411 PolarHBondContact NE-OE2 2.86Å; R372-E411 IonicContact NH2-OE1 3.69Å; R372-E411 IonicContact NH2-OE2 3.76Å; R372-E411 PolarHBondContact NH2-OE2 3.46Å; R372-E411 PolarHBondContact O-N 3.33Å; R374-E411 HydrophobicContact CB-CB 4.3Å; E411-V413 HydrophobicContact CG-CG2 3.98Å; E411-S424 WeakPolarHBondContact CG-OG 3.08Å; E411-S424 WeakPolarHBondContact OE1-CB 3.38Å; E411-S424 PolarHBondContact OE1-OG 3.07Å |
| 412 | M | 90.9 | Very high | 87.4 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.7 | 166.5 | -177.2 | -173 | 73.3 | 0 | 0 | 108.9 | A360 N369 T370 F371 S424 S425 | A360-M412 HydrophobicContact CB-CE 4.35Å; A360-M412 HydrophobicContact CB-SD 3.57Å; A360-M412 VanDerWaalsContact CB-SD 3.57Å; N369-M412 HydrophobicContact CB-CG 4.21Å; N369-M412 HydrophobicContact CB-SD 4.39Å; T370-M412 WeakPolarHBondContact O-CA 3.42Å; F371-M412 HydrophobicContact CD1-CB 3.98Å; F371-M412 HydrophobicContact CD1-CG 3.97Å; F371-M412 HydrophobicContact CE1-CB 3.94Å; F371-M412 HydrophobicContact CE1-CG 3.57Å; F371-M412 HydrophobicContact CE1-SD 3.68Å; F371-M412 HydrophobicContact CZ-CG 4.05Å; F371-M412 HydrophobicContact CZ-SD 3.96Å; M412-S424 WeakPolarHBondContact O-CA 3.13Å; M412-S425 PolarHBondContact N-O 2.03Å; M412-S425 PolarHBondContact O-N 2.87Å |
| 413 | V | 88.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.1 | 173.4 | -175 | 0 | 0 | 0 | 0 | 108.2 | N369 T370 E411 V415 Q422 | N369-V413 WeakPolarHBondContact CA-O 3.43Å; T370-V413 PolarHBondContact N-O 3.15Å; T370-V413 PolarHBondContact O-N 3.12Å; E411-V413 HydrophobicContact CG-CG2 3.98Å; V413-V415 HydrophobicContact CG1-CG2 4.01Å; V413-Q422 HydrophobicContact CG1-CG 4.28Å |
| 414 | S | 86.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.8 | 175.5 | -164.7 | 0 | 0 | 0 | 0 | 109.5 | Y368 N369 Q422 T423 | Y368-S414 WeakPolarHBondContact O-CA 3.4Å; N369-S414 WeakPolarHBondContact OD1-CB 3.41Å; N369-S414 PolarHBondContact OD1-OG 2.81Å; S414-Q422 WeakPolarHBondContact O-CA 3.39Å; S414-T423 PolarHBondContact N-O 2.85Å; S414-T423 PolarHBondContact O-N 2.78Å |
| 415 | V | 86.6 | Confident | 86.7 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.1 | -179.4 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | A367 Y368 V413 Q422 | A367-V415 WeakPolarHBondContact CA-O 3.44Å; Y368-V415 PolarHBondContact N-O 3.46Å; Y368-V415 PolarHBondContact O-N 3.4Å; V413-V415 HydrophobicContact CG1-CG2 4.01Å; V415-Q422 HydrophobicContact CG2-CG 4.36Å |
| 416 | N | 84.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 102.5 | 169.7 | -169.3 | -41 | 0 | 0 | 0 | 109.8 | P365 A367 L418 L419 S420 Y421 | P365-N416 PolarHBondContact O-ND2 2.73Å; A367-N416 HydrophobicContact CB-CB 4.13Å; N416-L418 PolarHBondContact O-N 2.9Å; N416-L418 WeakPolarHBondContact OD1-CB 3.48Å; N416-L418 PolarHBondContact OD1-N 2.79Å; N416-L419 HydrophobicContact CB-CB 4.47Å; N416-L419 PolarHBondContact O-N 3.43Å; N416-L419 PolarHBondContact OD1-N 3.41Å; N416-S420 PolarHBondContact O-N 2.63Å; N416-S420 VanDerWaalsContact O-N 3.13Å; N416-Y421 PolarHBondContact N-O 3.42Å; N416-Y421 PolarHBondContact O-N 3Å |
| 417 | P | 80.7 | Confident | 86.6 | Confident | 83 Ų | 83 | 49.3 Ų | 49.3 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.2 | -177.1 | -20.5 | 31.5 | 0 | 0 | 0 | 113.5 | ||
| 418 | L | 82 | Confident | 86.5 | Confident | 151 Ų | 151 | 49.2 Ų | 49.2 | 79% | 0.791 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.5 | -176.4 | -61 | 173.7 | 0 | 0 | 0 | 112.3 | N416 | N416-L418 PolarHBondContact O-N 2.9Å; N416-L418 WeakPolarHBondContact OD1-CB 3.48Å; N416-L418 PolarHBondContact OD1-N 2.79Å |
| 419 | L | 78 | Confident | 86.5 | Confident | 133 Ų | 133 | 49.2 Ų | 49.2 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 3.4 | -177.5 | -65.5 | 173.7 | 0 | 0 | 0 | 113.2 | N416 Y421 | N416-L419 HydrophobicContact CB-CB 4.47Å; N416-L419 PolarHBondContact O-N 3.43Å; N416-L419 PolarHBondContact OD1-N 3.41Å; L419-Y421 PolarHBondContact O-N 2.86Å; L419-Y421 VanDerWaalsContact O-N 3.12Å |
| 420 | S | 74.4 | Confident | 86.5 | Confident | 118 Ų | 118 | 48.7 Ų | 48.7 | 83% | 0.825 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 36.2 | -172.7 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | N416 | N416-S420 PolarHBondContact O-N 2.63Å; N416-S420 VanDerWaalsContact O-N 3.13Å |
| 421 | Y | 73.3 | Confident | 86.5 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.6 | -175.1 | 174.7 | -99.1 | 0 | 0 | 0 | 109.4 | Y364 N416 L419 T423 | Y364-Y421 HydrophobicContact CD2-CE1 4.44Å; Y364-Y421 HydrophobicContact CE2-CE1 4.33Å; N416-Y421 PolarHBondContact N-O 3.42Å; N416-Y421 PolarHBondContact O-N 3Å; L419-Y421 PolarHBondContact O-N 2.86Å; L419-Y421 VanDerWaalsContact O-N 3.12Å; Y421-T423 HydrophobicContact CD1-CG2 4.46Å; Y421-T423 HydrophobicContact CE1-CG2 3.45Å; Y421-T423 VanDerWaalsContact CE1-CG2 3.45Å; Y421-T423 WeakPolarHBondContact OH-CB 3.06Å; Y421-T423 WeakPolarHBondContact OH-CG2 3.29Å |
| 422 | Q | 80.6 | Confident | 86.6 | Confident | 144 Ų | 144 | 48.2 Ų | 48.2 | 67% | 0.673 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.8 | 172.1 | -177.7 | 176.2 | -1.6 | 0 | 0 | 108.5 | V413 S414 V415 | V413-Q422 HydrophobicContact CG1-CG 4.28Å; S414-Q422 WeakPolarHBondContact O-CA 3.39Å; V415-Q422 HydrophobicContact CG2-CG 4.36Å |
| 423 | T | 81.2 | Confident | 86.7 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.7 | 172.5 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | S414 Y421 | S414-T423 PolarHBondContact N-O 2.85Å; S414-T423 PolarHBondContact O-N 2.78Å; Y421-T423 HydrophobicContact CD1-CG2 4.46Å; Y421-T423 HydrophobicContact CE1-CG2 3.45Å; Y421-T423 VanDerWaalsContact CE1-CG2 3.45Å; Y421-T423 WeakPolarHBondContact OH-CB 3.06Å; Y421-T423 WeakPolarHBondContact OH-CG2 3.29Å |
| 424 | S | 86.3 | Confident | 86.8 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.5 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 109 | F336 E411 M412 | F336-S424 PolarHBondContact N-O 2.88Å; E411-S424 WeakPolarHBondContact CG-OG 3.08Å; E411-S424 WeakPolarHBondContact OE1-CB 3.38Å; E411-S424 PolarHBondContact OE1-OG 3.07Å; M412-S424 WeakPolarHBondContact O-CA 3.13Å |
| 425 | S | 88.4 | Confident | 86.7 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.5 | 169.7 | -65 | 0 | 0 | 0 | 0 | 108.8 | S337 M412 | S337-S425 PolarHBondContact OG-OG 2.73Å; M412-S425 PolarHBondContact N-O 2.03Å; M412-S425 PolarHBondContact O-N 2.87Å |
| 426 | A | 91.4 | Very high | 86.6 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P335 S337 I338 V339 L410 | P335-A426 HydrophobicContact CB-CB 3.68Å; P335-A426 HydrophobicContact CG-CB 3.68Å; S337-A426 PolarHBondContact O-N 3.37Å; I338-A426 CarbonylContact C-O 3.5Å; I338-A426 VanDerWaalsContact CA-O 3.26Å; I338-A426 WeakPolarHBondContact CA-O 3.45Å; I338-A426 HydrophobicContact CG1-CB 4.37Å; V339-A426 PolarHBondContact N-O 2.9Å; L410-A426 CarbonylContact O-C 3.48Å; L410-A426 VanDerWaalsContact O-CA 3.27Å; L410-A426 WeakPolarHBondContact O-CA 3.46Å |
| 427 | L | 92.3 | Very high | 86 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 112.8 | 168.6 | 167.2 | 64.2 | 0 | 0 | 0 | 106.7 | V339 R341 F356 L410 | V339-L427 HydrophobicContact CB-CD1 4.1Å; V339-L427 HydrophobicContact CG1-CD1 4.07Å; V339-L427 CarbonylContact O-C 3.58Å; V339-L427 WeakPolarHBondContact O-CA 3.39Å; V339-L427 WeakPolarHBondContact O-CD1 3.45Å; R341-L427 HydrophobicContact CB-CD1 3.92Å; R341-L427 HydrophobicContact CG-CD1 3.53Å; F356-L427 HydrophobicContact CD1-CD2 4.33Å; F356-L427 HydrophobicContact CE1-CD2 3.45Å; F356-L427 VanDerWaalsContact CE1-CD2 3.45Å; F356-L427 HydrophobicContact CZ-CD2 3.98Å; L410-L427 HydrophobicContact CB-CB 4.29Å; L410-L427 HydrophobicContact CD1-CD2 4.1Å; L410-L427 HydrophobicContact CD1-CG 4.48Å; L410-L427 PolarHBondContact N-O 3.33Å; L410-L427 PolarHBondContact O-N 3.29Å |
| 428 | R | 93.7 | Very high | 85.8 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 108.8 | 169.4 | -179.3 | 162.8 | -69.7 | 174.7 | -3.2 | 108.2 | I338 V339 Q340 R341 T407 L408 D409 | I338-R428 HydrophobicContact CG2-CB 4.16Å; V339-R428 PolarHBondContact O-N 2.86Å; Q340-R428 CarbonylContact C-O 3.59Å; Q340-R428 WeakPolarHBondContact CA-O 3.28Å; Q340-R428 HydrophobicContact CG-CB 4.4Å; R341-R428 PolarHBondContact N-O 3.32Å; T407-R428 HydrophobicContact CG2-CG 3.79Å; L408-R428 CarbonylContact O-C 3.57Å; L408-R428 WeakPolarHBondContact O-CA 3.05Å; D409-R428 WeakPolarHBondContact OD1-CB 3.44Å; D409-R428 WeakPolarHBondContact OD1-CG 3.44Å; D409-R428 IonicContact OD1-CZ 3.66Å; D409-R428 IonicContact OD1-NE 3.84Å; D409-R428 PolarHBondContact OD1-NE 2.89Å; D409-R428 IonicContact OD1-NH2 3.3Å; D409-R428 PolarHBondContact OD1-NH2 2.97Å; D409-R428 IonicContact OD2-CZ 3.59Å; D409-R428 IonicContact OD2-NE 3.69Å; D409-R428 IonicContact OD2-NH2 2.81Å; D409-R428 PolarHBondContact OD2-NH2 3.29Å |
| 429 | L | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.1 | -178.9 | -178.1 | 65.9 | 0 | 0 | 0 | 109.2 | R341 M343 F356 L394 L408 L410 I431 | R341-L429 HydrophobicContact CB-CD1 3.73Å; R341-L429 WeakPolarHBondContact O-CA 3.45Å; M343-L429 HydrophobicContact CG-CD1 4.02Å; M343-L429 HydrophobicContact CG-CG 4.5Å; M343-L429 HydrophobicContact SD-CD1 4.06Å; M343-L429 HydrophobicContact SD-CD2 3.97Å; M343-L429 HydrophobicContact SD-CG 4.35Å; F356-L429 HydrophobicContact CB-CD2 4.13Å; F356-L429 HydrophobicContact CD1-CD2 4.16Å; F356-L429 HydrophobicContact CD2-CD1 4.15Å; F356-L429 HydrophobicContact CD2-CD2 4.26Å; F356-L429 HydrophobicContact CE2-CD1 4.07Å; F356-L429 HydrophobicContact CG-CD2 3.92Å; F356-L429 HydrophobicContact CZ-CD1 4.44Å; L394-L429 HydrophobicContact CD2-CD2 3.66Å; L408-L429 PolarHBondContact N-O 2.85Å; L408-L429 PolarHBondContact O-N 3.26Å; L410-L429 HydrophobicContact CD1-CB 4.25Å; L410-L429 HydrophobicContact CD1-CD2 4.1Å; L429-I431 HydrophobicContact CD2-CD1 3.96Å; L429-I431 HydrophobicContact CD2-CG1 3.98Å; L429-I431 HydrophobicContact CG-CD1 4.34Å; L429-I431 HydrophobicContact CG-CG1 3.85Å |
| 430 | S | 94.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 120.5 | 168.2 | -76.9 | 0 | 0 | 0 | 0 | 109.1 | R341 Y342 M343 E405 Y406 | R341-S430 PolarHBondContact O-N 3.02Å; Y342-S430 WeakPolarHBondContact CA-O 3.27Å; M343-S430 PolarHBondContact N-O 3.03Å; E405-S430 PolarHBondContact OE1-OG 3.34Å; Y406-S430 CarbonylContact O-C 3.55Å; Y406-S430 VanDerWaalsContact O-CA 3.31Å; Y406-S430 WeakPolarHBondContact O-CA 3.29Å |
| 431 | I | 94.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.4 | 178.9 | -52.4 | 173.3 | 0 | 0 | 0 | 107.7 | M343 I345 I355 F382 L394 E405 Y406 L408 L429 | M343-I431 HydrophobicContact CG-CB 4.32Å; M343-I431 HydrophobicContact CG-CG1 3.9Å; M343-I431 HydrophobicContact CG-CG2 4.25Å; M343-I431 WeakPolarHBondContact O-CA 3.42Å; M343-I431 HydrophobicContact SD-CG1 4.13Å; I345-I431 HydrophobicContact CD1-CG2 3.83Å; I345-I431 HydrophobicContact CG1-CG2 3.82Å; I345-I431 HydrophobicContact CG2-CG2 4.4Å; I355-I431 HydrophobicContact CD1-CD1 4.09Å; F382-I431 HydrophobicContact CE1-CD1 3.93Å; F382-I431 HydrophobicContact CZ-CD1 4.15Å; L394-I431 HydrophobicContact CD2-CD1 4.06Å; E405-I431 WeakPolarHBondContact CA-O 3.31Å; Y406-I431 PolarHBondContact N-O 3.4Å; Y406-I431 PolarHBondContact O-N 2.64Å; L408-I431 HydrophobicContact CD1-CD1 3.74Å; L408-I431 HydrophobicContact CG-CD1 4.35Å; L429-I431 HydrophobicContact CD2-CD1 3.96Å; L429-I431 HydrophobicContact CD2-CG1 3.98Å; L429-I431 HydrophobicContact CG-CD1 4.34Å; L429-I431 HydrophobicContact CG-CG1 3.85Å |
| 432 | Y | 94.2 | Very high | 87.9 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.4 | 175.6 | -55.6 | -82.8 | 0 | 0 | 0 | 109.5 | V296 I298 Q303 Y342 M343 S344 I345 E405 | V296-Y432 HydrophobicContact CG1-CE2 4.45Å; I298-Y432 HydrophobicContact CB-CG 4.34Å; I298-Y432 HydrophobicContact CD1-CD1 4.35Å; I298-Y432 HydrophobicContact CD1-CG 4.44Å; I298-Y432 HydrophobicContact CG2-CD1 4.33Å; I298-Y432 HydrophobicContact CG2-CD2 3.39Å; I298-Y432 HydrophobicContact CG2-CE2 3.95Å; I298-Y432 HydrophobicContact CG2-CG 3.61Å; Q303-Y432 HydrophobicContact CB-CE1 4.45Å; Q303-Y432 HydrophobicContact CG-CE1 3.94Å; Q303-Y432 WeakPolarHBondContact CG-OH 3.02Å; Y342-Y432 AromaticContact CD1-CE2 3.99Å; Y342-Y432 HydrophobicContact CD1-CE2 3.99Å; M343-Y432 WeakPolarHBondContact O-CD2 3.43Å; M343-Y432 PolarHBondContact O-N 3.22Å; S344-Y432 CarbonylContact C-O 3.35Å; S344-Y432 WeakPolarHBondContact CA-O 3Å; I345-Y432 PolarHBondContact N-O 3Å; E405-Y432 HydrophobicContact CB-CD1 4.15Å; E405-Y432 HydrophobicContact CB-CE1 4.38Å; E405-Y432 HydrophobicContact CG-CD1 3.83Å; E405-Y432 HydrophobicContact CG-CE1 3.73Å |
| 433 | V | 93.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 111.8 | 177.6 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | I345 V400 G402 P403 Q404 Y406 | I345-V433 HydrophobicContact CD1-CG2 4.11Å; I345-V433 HydrophobicContact CG1-CB 4.47Å; I345-V433 HydrophobicContact CG1-CG1 4.45Å; I345-V433 HydrophobicContact CG1-CG2 3.92Å; I345-V433 CarbonylContact O-C 3.59Å; I345-V433 WeakPolarHBondContact O-CA 3.46Å; V400-V433 HydrophobicContact CB-CG2 4.42Å; V400-V433 HydrophobicContact CG2-CG1 3.92Å; V400-V433 HydrophobicContact CG2-CG2 3.9Å; G402-V433 WeakPolarHBondContact CA-O 3.06Å; P403-V433 WeakPolarHBondContact CA-O 3.47Å; Q404-V433 PolarHBondContact N-O 2.82Å; Q404-V433 PolarHBondContact O-N 2.04Å; Y406-V433 HydrophobicContact CD2-CG2 3.94Å; Y406-V433 HydrophobicContact CE2-CG2 3.79Å |
| 434 | G | 90.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 147.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I345 S347 Y436 | I345-G434 PolarHBondContact O-N 3.39Å; S347-G434 PolarHBondContact N-O 2.89Å; S347-G434 PolarHBondContact OG-O 3.16Å; G434-Y436 VanDerWaalsContact C-N 3.27Å; G434-Y436 PolarHBondContact O-N 3.24Å |
| 435 | P | 85.5 | Confident | 89 | Confident | 54 Ų | 54 | 27.4 Ų | 27.4 | 35% | 0.351 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -68 | -26.7 | -179.7 | 26.6 | -32.9 | 0 | 0 | 0 | 113 | ||
| 436 | Y | 85 | Confident | 89 | Confident | 79 Ų | 79 | 27.3 Ų | 27.3 | 31% | 0.31 | 14% | 0.138 | S | C | . | . | trans | -118 | 163.6 | -177.3 | -53 | -68.4 | 0 | 0 | 0 | 112.2 | F251 P265 Y268 T346 G434 F438 | F251-Y436 HydrophobicContact CD2-CD1 4.28Å; F251-Y436 HydrophobicContact CD2-CE1 4.06Å; F251-Y436 HydrophobicContact CE2-CD1 4.04Å; F251-Y436 AromaticContact CE2-CE1 3.38Å; F251-Y436 HydrophobicContact CE2-CE1 3.38Å; F251-Y436 AromaticContact CE2-CZ 3.81Å; F251-Y436 HydrophobicContact CZ-CE1 4.06Å; P265-Y436 HydrophobicContact CB-CD2 4.07Å; P265-Y436 HydrophobicContact CB-CE2 3.44Å; P265-Y436 VanDerWaalsContact CB-CE2 3.44Å; P265-Y436 HydrophobicContact CG-CD2 3.51Å; P265-Y436 HydrophobicContact CG-CE2 3.42Å; P265-Y436 VanDerWaalsContact CG-CE2 3.42Å; P265-Y436 HydrophobicContact CG-CG 4.15Å; Y268-Y436 AromaticContact CE2-CD2 3.88Å; Y268-Y436 HydrophobicContact CE2-CD2 3.88Å; T346-Y436 WeakPolarHBondContact CB-O 3.39Å; T346-Y436 VanDerWaalsContact CG2-O 3.31Å; T346-Y436 WeakPolarHBondContact CG2-O 3.34Å; G434-Y436 VanDerWaalsContact C-N 3.27Å; G434-Y436 PolarHBondContact O-N 3.24Å; Y436-F438 HydrophobicContact CD1-CE2 4.2Å; Y436-F438 AromaticContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD2-CE2 4.02Å; Y436-F438 HydrophobicContact CG-CD2 4.43Å; Y436-F438 AromaticContact CG-CE2 3.57Å; Y436-F438 HydrophobicContact CG-CE2 3.57Å; Y436-F438 AromaticContact CG-CZ 3.79Å; Y436-F438 HydrophobicContact CG-CZ 3.79Å | ||
| 437 | A | 72.4 | Confident | 88.8 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 26% | 0.264 | 15% | 0.146 | S | C | . | . | trans | -112.6 | 22 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E348 | E348-A437 HydrophobicContact CB-CB 3.56Å; E348-A437 HydrophobicContact CG-CB 3.73Å | ||
| 438 | F | 75.1 | Confident | 88.5 | Confident | 76 Ų | 76 | 29.6 Ų | 29.6 | 33% | 0.333 | 15% | 0.148 | S | C | . | . | trans | -67 | 0 | -168 | -50.3 | -45.8 | 0 | 0 | 0 | 116 | Q250 F251 P265 Y268 C276 Y436 | Q250-F438 HydrophobicContact CB-CD1 4.38Å; Q250-F438 VanDerWaalsContact CD-CD1 3.42Å; Q250-F438 HydrophobicContact CG-CD1 3.46Å; Q250-F438 VanDerWaalsContact CG-CD1 3.46Å; Q250-F438 HydrophobicContact CG-CE1 3.89Å; Q250-F438 HydrophobicContact CG-CG 4.37Å; Q250-F438 VanDerWaalsContact NE2-CA 3.26Å; Q250-F438 PolarHBondContact NE2-OXT 2.82Å; Q250-F438 VanDerWaalsContact NE2-OXT 3.12Å; Q250-F438 WeakPolarHBondContact O-CE1 3.36Å; F251-F438 HydrophobicContact CB-CE1 4.1Å; F251-F438 HydrophobicContact CB-CE2 4.35Å; F251-F438 HydrophobicContact CB-CZ 3.59Å; F251-F438 AromaticContact CD2-CZ 3.68Å; F251-F438 HydrophobicContact CD2-CZ 3.68Å; F251-F438 AromaticContact CG-CZ 3.89Å; F251-F438 HydrophobicContact CG-CZ 3.89Å; P265-F438 HydrophobicContact CG-CE2 3.53Å; P265-F438 HydrophobicContact CG-CZ 4.2Å; Y268-F438 AromaticContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CE2 4.45Å; Y268-F438 HydrophobicContact CE1-CB 4.42Å; Y268-F438 AromaticContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CG-CD2 4.16Å; C276-F438 HydrophobicContact CB-CB 4.23Å; C276-F438 HydrophobicContact CB-CD1 4.49Å; C276-F438 HydrophobicContact CB-CD2 3.64Å; C276-F438 HydrophobicContact CB-CE2 4.11Å; C276-F438 HydrophobicContact CB-CG 3.86Å; C276-F438 WeakPolarHBondContact O-CB 3.45Å; Y436-F438 HydrophobicContact CD1-CE2 4.2Å; Y436-F438 AromaticContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD2-CE2 4.02Å; Y436-F438 HydrophobicContact CG-CD2 4.43Å; Y436-F438 AromaticContact CG-CE2 3.57Å; Y436-F438 HydrophobicContact CG-CE2 3.57Å; Y436-F438 AromaticContact CG-CZ 3.79Å; Y436-F438 HydrophobicContact CG-CZ 3.79Å |
Retrieved 438 of 438 residues in 463.8 ms
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