| 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 | 46.7 | Very low | 38.7 | Very low | 243 Ų | 243 | 136 Ų | 136 | 100% | 1.197 | 83% | 0.832 | S | S | * | * | 0 | 79.3 | 0 | -69.4 | 172.3 | 167.8 | 0 | 0 | 105.1 | |||||
| 2 | A | 38.9 | Very low | 38.2 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | 62.2 | 92.9 | 68.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 3 | D | 41.7 | Very low | 37.8 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | 16.3 | 150.5 | 141.5 | -54.9 | -72.1 | 0 | 0 | 0 | 123 | ||||
| 4 | G | 36.2 | Very low | 37.5 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | 142.8 | 71.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 5 | D | 38.9 | Very low | 37.1 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | 42.4 | 116.7 | 91.4 | -163.9 | 22.5 | 0 | 0 | 0 | 115.3 | G7 | D5-G7 PolarHBondContact OD1-N 3.28Š| |||
| 6 | S | 43.4 | Very low | 36.7 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -157.5 | 78 | 159.6 | -79.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 7 | G | 39.5 | Very low | 36.4 | Very low | 59 Ų | 59 | 119.8 Ų | 119.8 | 61% | 0.608 | 82% | 0.822 | S | S | * | * | trans | -86.4 | 138.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D5 | D5-G7 PolarHBondContact OD1-N 3.28Š| ||
| 8 | S | 40.8 | Very low | 36.3 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 175.1 | 99.7 | 139.9 | 35.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 9 | E | 34.7 | Very low | 36.1 | Very low | 158 Ų | 158 | 114.9 Ų | 114.9 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | 74.9 | 127.5 | 83.9 | -83.5 | -140.3 | 142.9 | 0 | 0 | 115.5 | |||||
| 10 | R | 34.4 | Very low | 36 | Very low | 225 Ų | 225 | 111.8 Ų | 111.8 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | trans | 90.4 | 119.5 | 149.2 | -68.7 | 160.7 | -175.8 | -123.4 | -4 | 119.4 | ||||
| 11 | G | 30.5 | Very low | 35.9 | Very low | 81 Ų | 81 | 113.6 Ų | 113.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 161.6 | 66.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 12 | G | 32.4 | Very low | 35.5 | Very low | 73 Ų | 73 | 111.4 Ų | 111.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -77.1 | 143 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 13 | S | 33.8 | Very low | 35.5 | Very low | 109 Ų | 109 | 112.6 Ų | 112.6 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 173.6 | 106.4 | 142.4 | -83.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 14 | S | 33.2 | Very low | 35 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | 57.1 | 116.4 | 83.9 | 71.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 15 | G | 30.8 | Very low | 35 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | 102.3 | 120.7 | 136.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 16 | G | 30.8 | Very low | 35.3 | Very low | 80 Ų | 80 | 118.7 Ų | 118.7 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 98.9 | 100.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 17 | G | 31.6 | Very low | 35.3 | Very low | 81 Ų | 81 | 115.9 Ų | 115.9 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | cis | 81.5 | 96.1 | 32.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 18 | G | 35.8 | Very low | 35.7 | Very low | 57 Ų | 57 | 121.5 Ų | 121.5 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | 84.1 | 68.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 19 | G | 32.5 | Very low | 36.8 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 94% | 0.938 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -89.3 | 2.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 20 | G | 32.9 | Very low | 38.9 | Very low | 52 Ų | 52 | 115.8 Ų | 115.8 | 54% | 0.536 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -102.4 | -5.4 | -168 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 21 | F | 34.8 | Very low | 41.3 | Very low | 149 Ų | 149 | 111 Ų | 111 | 65% | 0.654 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 0.8 | -159.9 | -62.1 | -71.4 | 0 | 0 | 0 | 116.5 | H23 | F21-H23 PolarHBondContact O-N 3.12Š|
| 22 | Q | 38 | Very low | 44.2 | Very low | 198 Ų | 198 | 112 Ų | 112 | 93% | 0.925 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -11.9 | -178.3 | -81.8 | -177.6 | 0.4 | 0 | 0 | 115.1 | ||
| 23 | H | 38.1 | Very low | 46.9 | Very low | 115 Ų | 115 | 110.6 Ų | 110.6 | 53% | 0.532 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -16.4 | 178.4 | -147.5 | -61.7 | 0 | 0 | 0 | 113.9 | F21 | F21-H23 PolarHBondContact O-N 3.12Š|
| 24 | F | 31.7 | Very low | 49.8 | Very low | 151 Ų | 151 | 106.2 Ų | 106.2 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -15.9 | -174.2 | -81.3 | -80.3 | 0 | 0 | 0 | 115.2 | ||
| 25 | Q | 36.1 | Very low | 52.7 | Low | 162 Ų | 162 | 103.9 Ų | 103.9 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -80.6 | -19.3 | -179.3 | -79.7 | -179.2 | -8.8 | 0 | 0 | 113.9 | ||
| 26 | R | 44.7 | Very low | 55.8 | Low | 211 Ų | 211 | 104.8 Ų | 104.8 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -84 | -20 | -179.9 | -149.6 | -177.3 | -74.3 | -174.1 | -1.8 | 113.1 | ||
| 27 | D | 44.8 | Very low | 58.9 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 37% | 0.374 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -86.5 | -15.1 | -177.8 | -70.8 | -41.7 | 0 | 0 | 0 | 113.2 | E29 T30 | D27-E29 VanDerWaalsContact C-N 3.31Å; D27-E29 PolarHBondContact O-N 3.27Å; D27-T30 PolarHBondContact O-N 2.96Å; D27-T30 PolarHBondContact O-OG1 2.92Å |
| 28 | Q | 48.3 | Very low | 62 | Low | 177 Ų | 177 | 102.7 Ų | 102.7 | 83% | 0.827 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.4 | -179.9 | -81.6 | -174.4 | 1.1 | 0 | 0 | 114.4 | ||
| 29 | E | 63.6 | Low | 64.8 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -5 | 175.7 | -78.8 | -171.4 | 157.9 | 0 | 0 | 113.7 | D27 | D27-E29 VanDerWaalsContact C-N 3.31Å; D27-E29 PolarHBondContact O-N 3.27Å |
| 30 | T | 78.1 | Confident | 67.7 | Low | 33 Ų | 33 | 100.2 Ų | 100.2 | 20% | 0.202 | 48% | 0.482 | C | S | . | . | trans | -110 | 116.3 | -174.5 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | D27 Q51 N52 F57 | D27-T30 PolarHBondContact O-N 2.96Å; D27-T30 PolarHBondContact O-OG1 2.92Å; T30-Q51 CarbonylContact C-O 3.56Å; T30-Q51 VanDerWaalsContact CA-O 3.31Å; T30-Q51 WeakPolarHBondContact CA-O 3.44Å; T30-N52 HydrophobicContact CG2-CB 3.91Å; T30-F57 HydrophobicContact CG2-CZ 4.41Å | ||
| 31 | Q | 85.4 | Confident | 70.4 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 133.8 | 174.7 | -176.4 | 175.4 | 12.8 | 0 | 0 | 109.8 | L33 K50 Q51 | Q31-L33 HydrophobicContact CG-CD2 4.19Å; Q31-K50 CarbonylContact O-C 3.54Å; Q31-K50 WeakPolarHBondContact O-CA 3.49Å; Q31-Q51 PolarHBondContact N-O 3.03Å; Q31-Q51 PolarHBondContact O-N 3.15Å |
| 32 | E | 90.7 | Very high | 73 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 127.1 | 169.8 | -169.3 | 166.8 | 119.8 | 0 | 0 | 109.6 | K50 | E32-K50 HydrophobicContact CG-CG 4.44Å; E32-K50 IonicContact OE2-NZ 2.85Å; E32-K50 PolarHBondContact OE2-NZ 3.34Å |
| 33 | L | 90.3 | Very high | 75.6 | Confident | 44 Ų | 44 | 91 Ų | 91 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -40.6 | -177.8 | -60.4 | -177.3 | 0 | 0 | 0 | 111.7 | Q31 V49 Q51 R56 Y192 | Q31-L33 HydrophobicContact CG-CD2 4.19Å; L33-V49 HydrophobicContact CB-CB 4.38Å; L33-V49 HydrophobicContact CB-CG1 4.19Å; L33-V49 HydrophobicContact CD1-CG1 4.19Å; L33-V49 PolarHBondContact N-O 3.35Å; L33-Q51 HydrophobicContact CD1-CB 4Å; L33-Q51 HydrophobicContact CD2-CB 4.45Å; L33-Q51 HydrophobicContact CG-CB 4.21Å; L33-R56 HydrophobicContact CD1-CG 4.11Å; L33-Y192 HydrophobicContact CB-CD1 4.03Å; L33-Y192 HydrophobicContact CB-CE1 3.82Å; L33-Y192 HydrophobicContact CD1-CD1 4.03Å; L33-Y192 PolarHBondContact O-OH 3.49Å |
| 34 | A | 92.9 | Very high | 78.3 | Confident | 18 Ų | 18 | 91.6 Ų | 91.6 | 15% | 0.149 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 154.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D48 V49 L188 Y192 | A34-D48 CarbonylContact O-C 3.58Å; A34-D48 WeakPolarHBondContact O-CA 3.11Å; A34-V49 HydrophobicContact CB-CB 4.21Å; A34-V49 HydrophobicContact CB-CG2 4.23Å; A34-V49 PolarHBondContact N-O 3.36Å; A34-V49 PolarHBondContact O-N 3.1Å; A34-L188 HydrophobicContact CB-CD2 4.09Å; A34-Y192 HydrophobicContact CB-CD2 4.35Å; A34-Y192 HydrophobicContact CB-CE2 3.49Å; A34-Y192 VanDerWaalsContact CB-CE2 3.49Å |
| 35 | S | 94.3 | Very high | 81.4 | Confident | 65 Ų | 65 | 84.4 Ų | 84.4 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130.5 | 167 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | L47 D48 | S35-L47 WeakPolarHBondContact CA-O 3.4Å; S35-D48 WeakPolarHBondContact CB-OD1 3.46Å; S35-D48 PolarHBondContact OG-OD1 3.38Å |
| 36 | K | 95.9 | Very high | 84.3 | Confident | 101 Ų | 101 | 79.7 Ų | 79.7 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.7 | 174.1 | -178.8 | 66.5 | 175.1 | -174.5 | 0 | 109.4 | L38 Y46 L47 A184 L188 | K36-L38 HydrophobicContact CG-CD2 4.36Å; K36-Y46 WeakPolarHBondContact O-CA 3.48Å; K36-L47 HydrophobicContact CB-CB 4.38Å; K36-L47 PolarHBondContact N-O 2.98Å; K36-L47 PolarHBondContact O-N 3.03Å; K36-A184 HydrophobicContact CG-CB 4.27Å; K36-L188 HydrophobicContact CB-CD1 4.25Å |
| 37 | R | 96.4 | Very high | 86.8 | Confident | 102 Ų | 102 | 69.7 Ų | 69.7 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.1 | 172.3 | -178.9 | 175.9 | 167.2 | 179.6 | -25.4 | 110.9 | D39 R44 F45 Y46 | R37-D39 IonicContact CZ-OD1 3.6Å; R37-D39 IonicContact CZ-OD2 3.37Å; R37-D39 IonicContact NE-OD1 3.54Å; R37-D39 PolarHBondContact NE-OD1 2.96Å; R37-D39 IonicContact NE-OD2 2.82Å; R37-D39 PolarHBondContact NE-OD2 3.41Å; R37-D39 IonicContact NH2-OD1 2.79Å; R37-D39 PolarHBondContact NH2-OD1 2.94Å; R37-D39 VanDerWaalsContact NH2-OD1 3.08Å; R37-D39 IonicContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact NH2-OD2 3.25Å; R37-R44 VanDerWaalsContact NH2-NE 3.19Å; R37-F45 CarbonylContact C-O 3.59Å; R37-F45 VanDerWaalsContact CA-O 3.32Å; R37-F45 WeakPolarHBondContact CA-O 3.48Å; R37-Y46 HydrophobicContact CB-CD1 4.26Å; R37-Y46 HydrophobicContact CB-CE1 4.32Å; R37-Y46 HydrophobicContact CG-CD1 4.28Å; R37-Y46 HydrophobicContact CG-CE1 4.01Å; R37-Y46 PolarHBondContact NH1-OH 3.36Å |
| 38 | L | 96 | Very high | 89.2 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.2 | 171.9 | -56.1 | 174.1 | 0 | 0 | 0 | 109.2 | K36 I40 R44 F45 L47 F181 A184 | K36-L38 HydrophobicContact CG-CD2 4.36Å; L38-I40 HydrophobicContact CB-CD1 4.14Å; L38-I40 HydrophobicContact CB-CG1 4.27Å; L38-I40 HydrophobicContact CD1-CD1 4.46Å; L38-R44 CarbonylContact O-C 3.52Å; L38-R44 WeakPolarHBondContact O-CA 3.44Å; L38-F45 HydrophobicContact CB-CB 4.32Å; L38-F45 PolarHBondContact N-O 3.33Å; L38-F45 PolarHBondContact O-N 3.03Å; L38-L47 HydrophobicContact CD1-CD1 4.01Å; L38-L47 HydrophobicContact CG-CD1 4.38Å; L38-F181 HydrophobicContact CD1-CB 4.2Å; L38-F181 HydrophobicContact CD1-CD2 3.76Å; L38-F181 HydrophobicContact CD1-CE2 4.45Å; L38-F181 HydrophobicContact CD1-CG 4.21Å; L38-A184 HydrophobicContact CD1-CB 3.89Å; L38-A184 HydrophobicContact CD2-CB 4.03Å; L38-A184 HydrophobicContact CG-CB 4.39Å |
| 39 | D | 95.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 105 | 175.4 | -71.5 | -25.6 | 0 | 0 | 0 | 107.9 | R37 R44 | R37-D39 IonicContact CZ-OD1 3.6Å; R37-D39 IonicContact CZ-OD2 3.37Å; R37-D39 IonicContact NE-OD1 3.54Å; R37-D39 PolarHBondContact NE-OD1 2.96Å; R37-D39 IonicContact NE-OD2 2.82Å; R37-D39 PolarHBondContact NE-OD2 3.41Å; R37-D39 IonicContact NH2-OD1 2.79Å; R37-D39 PolarHBondContact NH2-OD1 2.94Å; R37-D39 VanDerWaalsContact NH2-OD1 3.08Å; R37-D39 IonicContact NH2-OD2 3.08Å; R37-D39 PolarHBondContact NH2-OD2 3.25Å; D39-R44 VanDerWaalsContact OD1-CG 3.24Å; D39-R44 WeakPolarHBondContact OD1-CG 3.41Å |
| 40 | I | 93.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.1 | -173.3 | -60.1 | 168.2 | 0 | 0 | 0 | 108.3 | L38 N42 K43 F45 L173 P174 F181 | L38-I40 HydrophobicContact CB-CD1 4.14Å; L38-I40 HydrophobicContact CB-CG1 4.27Å; L38-I40 HydrophobicContact CD1-CD1 4.46Å; I40-N42 PolarHBondContact O-N 3.23Å; I40-K43 PolarHBondContact N-O 3.3Å; I40-K43 PolarHBondContact O-N 3.4Å; I40-K43 VanDerWaalsContact O-O 3.12Å; I40-F45 HydrophobicContact CB-CD2 4.29Å; I40-F45 HydrophobicContact CB-CE2 4.14Å; I40-F45 HydrophobicContact CD1-CD2 3.9Å; I40-F45 HydrophobicContact CD1-CE2 4.17Å; I40-F45 HydrophobicContact CG1-CD2 4.36Å; I40-L173 HydrophobicContact CD1-CD1 3.59Å; I40-P174 HydrophobicContact CG2-CB 3.91Å; I40-P174 HydrophobicContact CG2-CG 3.87Å; I40-F181 HydrophobicContact CD1-CD2 4.47Å |
| 41 | Q | 90 | Very high | 93.3 | Very high | 108 Ų | 108 | 55 Ų | 55 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -120.2 | -171.5 | -59.1 | -178.4 | -16.1 | 0 | 0 | 111.3 | P174 Q176 | Q41-P174 HydrophobicContact CG-CB 4.13Å; Q41-P174 HydrophobicContact CG-CG 4.31Å; Q41-Q176 VanDerWaalsContact NE2-CD 3.34Å |
| 42 | N | 88.6 | Confident | 93.2 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 21.1 | 177.9 | 72.3 | -22.2 | 0 | 0 | 0 | 112.9 | I40 A65 R140 | I40-N42 PolarHBondContact O-N 3.23Å; N42-A65 HydrophobicContact CB-CB 4.02Å; N42-A65 WeakPolarHBondContact ND2-CB 3.36Å; N42-A65 PolarHBondContact O-N 2.8Å; N42-R140 PolarHBondContact ND2-NH2 2.79Å; N42-R140 PolarHBondContact OD1-NH2 3.05Å |
| 43 | K | 93 | Very high | 92.6 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.8 | 178.3 | -59.9 | -170.8 | 178.3 | -166.1 | 0 | 110.6 | I40 F45 E62 V63 A172 P174 | I40-K43 PolarHBondContact N-O 3.3Å; I40-K43 PolarHBondContact O-N 3.4Å; I40-K43 VanDerWaalsContact O-O 3.12Å; K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.71Å; K43-F45 HydrophobicContact CB-CZ 4.18Å; K43-F45 HydrophobicContact CD-CE2 4.31Å; K43-F45 HydrophobicContact CD-CZ 4.02Å; K43-E62 HydrophobicContact CD-CG 4.25Å; K43-E62 WeakPolarHBondContact CD-OE1 3.48Å; K43-E62 WeakPolarHBondContact CE-OE1 3.31Å; K43-E62 IonicContact NZ-OE1 3.39Å; K43-E62 PolarHBondContact NZ-OE1 3.08Å; K43-V63 WeakPolarHBondContact CA-O 3.39Å; K43-A172 PolarHBondContact NZ-O 2.89Å; K43-P174 HydrophobicContact CD-CG 4.36Å |
| 44 | R | 95.3 | Very high | 91.8 | Very high | 127 Ų | 127 | 55.1 Ų | 55.1 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.6 | 175.1 | -50.6 | -177.7 | 170.3 | 165.2 | -1.2 | 108.5 | R37 L38 D39 Y46 V63 | R37-R44 VanDerWaalsContact NH2-NE 3.19Å; L38-R44 CarbonylContact O-C 3.52Å; L38-R44 WeakPolarHBondContact O-CA 3.44Å; D39-R44 VanDerWaalsContact OD1-CG 3.24Å; D39-R44 WeakPolarHBondContact OD1-CG 3.41Å; R44-Y46 HydrophobicContact CB-CE2 4.04Å; R44-V63 HydrophobicContact CB-CB 4.38Å; R44-V63 PolarHBondContact N-O 3.41Å; R44-V63 PolarHBondContact O-N 3.18Å |
| 45 | F | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.5 | 176.3 | -63.2 | -91.9 | 0 | 0 | 0 | 109.4 | R37 L38 I40 K43 L47 A61 E62 L173 F181 | R37-F45 CarbonylContact C-O 3.59Å; R37-F45 VanDerWaalsContact CA-O 3.32Å; R37-F45 WeakPolarHBondContact CA-O 3.48Å; L38-F45 HydrophobicContact CB-CB 4.32Å; L38-F45 PolarHBondContact N-O 3.33Å; L38-F45 PolarHBondContact O-N 3.03Å; I40-F45 HydrophobicContact CB-CD2 4.29Å; I40-F45 HydrophobicContact CB-CE2 4.14Å; I40-F45 HydrophobicContact CD1-CD2 3.9Å; I40-F45 HydrophobicContact CD1-CE2 4.17Å; I40-F45 HydrophobicContact CG1-CD2 4.36Å; K43-F45 HydrophobicContact CB-CD2 4.44Å; K43-F45 HydrophobicContact CB-CE2 3.71Å; K43-F45 HydrophobicContact CB-CZ 4.18Å; K43-F45 HydrophobicContact CD-CE2 4.31Å; K43-F45 HydrophobicContact CD-CZ 4.02Å; F45-L47 HydrophobicContact CB-CD1 4.11Å; F45-A61 CarbonylContact C-O 3.46Å; F45-A61 VanDerWaalsContact CA-O 3.25Å; F45-A61 WeakPolarHBondContact CA-O 3.37Å; F45-E62 HydrophobicContact CD1-CB 3.94Å; F45-E62 HydrophobicContact CD1-CG 4.3Å; F45-E62 HydrophobicContact CE1-CB 3.68Å; F45-E62 HydrophobicContact CE1-CG 3.68Å; F45-E62 HydrophobicContact CZ-CB 4.49Å; F45-E62 HydrophobicContact CZ-CG 4Å; F45-L173 HydrophobicContact CD2-CD1 4.3Å; F45-L173 HydrophobicContact CE1-CD1 4.25Å; F45-L173 HydrophobicContact CE2-CD1 3.83Å; F45-L173 HydrophobicContact CZ-CB 4.48Å; F45-L173 HydrophobicContact CZ-CD1 3.81Å; F45-F181 HydrophobicContact CB-CE2 4.23Å; F45-F181 HydrophobicContact CD1-CE2 4.15Å; F45-F181 HydrophobicContact CG-CE2 4.26Å |
| 46 | Y | 96.8 | Very high | 91.1 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.3 | 173.1 | -59.2 | -96.4 | 0 | 0 | 0 | 107.9 | K36 R37 R44 I60 A61 V63 | K36-Y46 WeakPolarHBondContact O-CA 3.48Å; R37-Y46 HydrophobicContact CB-CD1 4.26Å; R37-Y46 HydrophobicContact CB-CE1 4.32Å; R37-Y46 HydrophobicContact CG-CD1 4.28Å; R37-Y46 HydrophobicContact CG-CE1 4.01Å; R37-Y46 PolarHBondContact NH1-OH 3.36Å; R44-Y46 HydrophobicContact CB-CE2 4.04Å; Y46-I60 CarbonylContact O-C 3.52Å; Y46-I60 VanDerWaalsContact O-CA 3.28Å; Y46-I60 WeakPolarHBondContact O-CA 3.37Å; Y46-A61 PolarHBondContact N-O 3.13Å; Y46-A61 PolarHBondContact O-N 3.41Å; Y46-V63 HydrophobicContact CD2-CG2 4.23Å; Y46-V63 HydrophobicContact CE2-CG2 3.84Å |
| 47 | L | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 99.3 | 177.2 | -71.8 | 70.5 | 0 | 0 | 0 | 106.8 | S35 K36 L38 F45 I58 I60 F181 A184 L185 L188 | S35-L47 WeakPolarHBondContact CA-O 3.4Å; K36-L47 HydrophobicContact CB-CB 4.38Å; K36-L47 PolarHBondContact N-O 2.98Å; K36-L47 PolarHBondContact O-N 3.03Å; L38-L47 HydrophobicContact CD1-CD1 4.01Å; L38-L47 HydrophobicContact CG-CD1 4.38Å; F45-L47 HydrophobicContact CB-CD1 4.11Å; L47-I58 HydrophobicContact CB-CG2 4.39Å; L47-I60 HydrophobicContact CG-CG1 4.4Å; L47-F181 HydrophobicContact CD1-CD2 4.48Å; L47-F181 HydrophobicContact CD1-CE2 3.81Å; L47-F181 HydrophobicContact CD1-CZ 4.12Å; L47-F181 HydrophobicContact CD2-CE1 4.28Å; L47-F181 HydrophobicContact CD2-CE2 4.39Å; L47-F181 HydrophobicContact CD2-CZ 4.04Å; L47-F181 HydrophobicContact CG-CE2 4.4Å; L47-F181 HydrophobicContact CG-CZ 4.21Å; L47-A184 HydrophobicContact CD2-CB 4.49Å; L47-L185 HydrophobicContact CD2-CD1 4.29Å; L47-L188 HydrophobicContact CB-CD1 3.76Å; L47-L188 HydrophobicContact CD2-CD1 4.02Å |
| 48 | D | 96 | Very high | 90.9 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.6 | -179.7 | -49.9 | -39.9 | 0 | 0 | 0 | 109.3 | A34 S35 K50 I58 K59 | A34-D48 CarbonylContact O-C 3.58Å; A34-D48 WeakPolarHBondContact O-CA 3.11Å; S35-D48 WeakPolarHBondContact CB-OD1 3.46Å; S35-D48 PolarHBondContact OG-OD1 3.38Å; D48-K50 HydrophobicContact CB-CG 4.32Å; D48-I58 WeakPolarHBondContact O-CA 3.45Å; D48-K59 HydrophobicContact CB-CB 4.43Å; D48-K59 PolarHBondContact N-O 2.96Å; D48-K59 PolarHBondContact O-N 3.27Å |
| 49 | V | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.7 | 169.2 | -174 | 0 | 0 | 0 | 0 | 107.7 | L33 A34 I58 L188 Y192 | L33-V49 HydrophobicContact CB-CB 4.38Å; L33-V49 HydrophobicContact CB-CG1 4.19Å; L33-V49 HydrophobicContact CD1-CG1 4.19Å; L33-V49 PolarHBondContact N-O 3.35Å; A34-V49 HydrophobicContact CB-CB 4.21Å; A34-V49 HydrophobicContact CB-CG2 4.23Å; A34-V49 PolarHBondContact N-O 3.36Å; A34-V49 PolarHBondContact O-N 3.1Å; V49-I58 HydrophobicContact CG2-CG1 4.26Å; V49-L188 HydrophobicContact CG2-CB 4.05Å; V49-L188 HydrophobicContact CG2-CD1 4.07Å; V49-L188 HydrophobicContact CG2-CD2 3.81Å; V49-L188 HydrophobicContact CG2-CG 4.19Å; V49-Y192 HydrophobicContact CG1-CD1 4.46Å; V49-Y192 HydrophobicContact CG1-CD2 4.38Å; V49-Y192 HydrophobicContact CG1-CG 4.01Å; V49-Y192 HydrophobicContact CG2-CD2 4.19Å |
| 50 | K | 93.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.9 | -178.7 | -61.8 | 179.8 | -174.9 | -88.8 | 0 | 110.1 | Q31 E32 D48 R56 F57 | Q31-K50 CarbonylContact O-C 3.54Å; Q31-K50 WeakPolarHBondContact O-CA 3.49Å; E32-K50 HydrophobicContact CG-CG 4.44Å; E32-K50 IonicContact OE2-NZ 2.85Å; E32-K50 PolarHBondContact OE2-NZ 3.34Å; D48-K50 HydrophobicContact CB-CG 4.32Å; K50-R56 CarbonylContact O-C 3.6Å; K50-R56 WeakPolarHBondContact O-CA 3.47Å; K50-F57 HydrophobicContact CB-CD1 4.41Å; K50-F57 HydrophobicContact CB-CD2 4.35Å; K50-F57 HydrophobicContact CB-CE1 3.8Å; K50-F57 HydrophobicContact CB-CE2 3.78Å; K50-F57 HydrophobicContact CB-CZ 3.47Å; K50-F57 VanDerWaalsContact CB-CZ 3.47Å; K50-F57 HydrophobicContact CD-CE2 4.07Å; K50-F57 HydrophobicContact CD-CZ 4.08Å; K50-F57 HydrophobicContact CG-CE2 4.4Å; K50-F57 HydrophobicContact CG-CZ 4.37Å; K50-F57 PolarHBondContact N-O 2.92Å; K50-F57 WeakPolarHBondContact O-CD1 3.22Å; K50-F57 PolarHBondContact O-N 3.02Å; K50-F57 VanDerWaalsContact O-O 3.14Å |
| 51 | Q | 87.3 | Confident | 90.9 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 23% | 0.229 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.2 | 177.2 | -174.5 | 169.5 | -8.1 | 0 | 0 | 109.7 | T30 Q31 L33 R56 | T30-Q51 CarbonylContact C-O 3.56Å; T30-Q51 VanDerWaalsContact CA-O 3.31Å; T30-Q51 WeakPolarHBondContact CA-O 3.44Å; Q31-Q51 PolarHBondContact N-O 3.03Å; Q31-Q51 PolarHBondContact O-N 3.15Å; L33-Q51 HydrophobicContact CD1-CB 4Å; L33-Q51 HydrophobicContact CD2-CB 4.45Å; L33-Q51 HydrophobicContact CG-CB 4.21Å; Q51-R56 HydrophobicContact CB-CG 4.18Å; Q51-R56 HydrophobicContact CG-CG 4.08Å |
| 52 | N | 83.1 | Confident | 91.1 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | -176.1 | 172.3 | 67.1 | 23.9 | 0 | 0 | 0 | 110 | T30 K54 G55 F57 | T30-N52 HydrophobicContact CG2-CB 3.91Å; N52-K54 PolarHBondContact O-N 3.48Å; N52-K54 VanDerWaalsContact OD1-CA 3.3Å; N52-K54 WeakPolarHBondContact OD1-CA 3.34Å; N52-K54 VanDerWaalsContact OD1-CB 3.29Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 PolarHBondContact OD1-N 2.92Å; N52-G55 PolarHBondContact N-O 3.27Å; N52-G55 PolarHBondContact O-N 3.16Å; N52-G55 PolarHBondContact OD1-N 3.02Å; N52-G55 PolarHBondContact OD1-O 3.19Å; N52-G55 VanDerWaalsContact OD1-O 3.11Å; N52-F57 HydrophobicContact CB-CE1 4.07Å; N52-F57 VanDerWaalsContact ND2-CE1 3.27Å; N52-F57 WeakPolarHBondContact ND2-CE1 3.13Å |
| 53 | S | 76.7 | Confident | 91.3 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -10.1 | 177.5 | 49 | 0 | 0 | 0 | 0 | 115.1 | ||
| 54 | K | 74.6 | Confident | 91 | Very high | 161 Ų | 161 | 36.4 Ų | 36.4 | 70% | 0.7 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 3.8 | 177.4 | -55.6 | -173.8 | 171.9 | -164.6 | 0 | 113.1 | N52 | N52-K54 PolarHBondContact O-N 3.48Å; N52-K54 VanDerWaalsContact OD1-CA 3.3Å; N52-K54 WeakPolarHBondContact OD1-CA 3.34Å; N52-K54 VanDerWaalsContact OD1-CB 3.29Å; N52-K54 WeakPolarHBondContact OD1-CB 3.46Å; N52-K54 PolarHBondContact OD1-N 2.92Å |
| 55 | G | 82.4 | Confident | 90 | Very high | 9 Ų | 9 | 34 Ų | 34 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.4 | -167.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N52 | N52-G55 PolarHBondContact N-O 3.27Å; N52-G55 PolarHBondContact O-N 3.16Å; N52-G55 PolarHBondContact OD1-N 3.02Å; N52-G55 PolarHBondContact OD1-O 3.19Å; N52-G55 VanDerWaalsContact OD1-O 3.11Å |
| 56 | R | 89.6 | Confident | 88.9 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 18% | 0.181 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 145.4 | -177.2 | -66 | 175 | 176.3 | 167.1 | -2.3 | 111.8 | L33 K50 Q51 L76 Y192 | L33-R56 HydrophobicContact CD1-CG 4.11Å; K50-R56 CarbonylContact O-C 3.6Å; K50-R56 WeakPolarHBondContact O-CA 3.47Å; Q51-R56 HydrophobicContact CB-CG 4.18Å; Q51-R56 HydrophobicContact CG-CG 4.08Å; R56-L76 VanDerWaalsContact C-CD1 3.43Å; R56-L76 HydrophobicContact CB-CD1 3.69Å; R56-L76 HydrophobicContact CB-CD2 4.09Å; R56-L76 HydrophobicContact CB-CG 4.46Å; R56-L76 WeakPolarHBondContact O-CD1 3.29Å; R56-Y192 VanDerWaalsContact CD-O 3.29Å; R56-Y192 WeakPolarHBondContact CD-O 3.31Å; R56-Y192 PolarHBondContact NH1-O 2.86Å |
| 57 | F | 93 | Very high | 87.9 | Confident | 31 Ų | 31 | 37.1 Ų | 37.1 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 155.8 | 176.5 | 66.3 | -87.4 | 0 | 0 | 0 | 111.5 | T30 K50 N52 K59 T73 L74 L76 | T30-F57 HydrophobicContact CG2-CZ 4.41Å; K50-F57 HydrophobicContact CB-CD1 4.41Å; K50-F57 HydrophobicContact CB-CD2 4.35Å; K50-F57 HydrophobicContact CB-CE1 3.8Å; K50-F57 HydrophobicContact CB-CE2 3.78Å; K50-F57 HydrophobicContact CB-CZ 3.47Å; K50-F57 VanDerWaalsContact CB-CZ 3.47Å; K50-F57 HydrophobicContact CD-CE2 4.07Å; K50-F57 HydrophobicContact CD-CZ 4.08Å; K50-F57 HydrophobicContact CG-CE2 4.4Å; K50-F57 HydrophobicContact CG-CZ 4.37Å; K50-F57 PolarHBondContact N-O 2.92Å; K50-F57 WeakPolarHBondContact O-CD1 3.22Å; K50-F57 PolarHBondContact O-N 3.02Å; K50-F57 VanDerWaalsContact O-O 3.14Å; N52-F57 HydrophobicContact CB-CE1 4.07Å; N52-F57 VanDerWaalsContact ND2-CE1 3.27Å; N52-F57 WeakPolarHBondContact ND2-CE1 3.13Å; F57-K59 HydrophobicContact CE2-CB 4.45Å; F57-T73 HydrophobicContact CD2-CG2 3.55Å; F57-T73 HydrophobicContact CE2-CG2 4.07Å; F57-T73 HydrophobicContact CG-CG2 4.35Å; F57-L74 CarbonylContact C-O 3.52Å; F57-L74 WeakPolarHBondContact CA-O 3.46Å; F57-L74 VanDerWaalsContact CB-O 3.3Å; F57-L74 WeakPolarHBondContact CB-O 3.29Å; F57-L76 VanDerWaalsContact CA-CD1 3.47Å |
| 58 | I | 94.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.3 | 174.3 | -52.9 | -173.6 | 0 | 0 | 0 | 109 | L47 D48 V49 I60 T73 L74 L76 A79 L185 L188 | L47-I58 HydrophobicContact CB-CG2 4.39Å; D48-I58 WeakPolarHBondContact O-CA 3.45Å; V49-I58 HydrophobicContact CG2-CG1 4.26Å; I58-I60 HydrophobicContact CG2-CG1 4.09Å; I58-T73 WeakPolarHBondContact O-CA 3.42Å; I58-L74 PolarHBondContact N-O 3.31Å; I58-L74 PolarHBondContact O-N 2.88Å; I58-L76 HydrophobicContact CD1-CD1 4.48Å; I58-L76 HydrophobicContact CD1-CG 4.45Å; I58-L76 HydrophobicContact CG1-CD1 3.76Å; I58-L76 HydrophobicContact CG1-CG 4.25Å; I58-A79 HydrophobicContact CD1-CB 3.87Å; I58-L185 HydrophobicContact CD1-CD1 3.68Å; I58-L188 HydrophobicContact CD1-CB 4.42Å |
| 59 | K | 95.3 | Very high | 86.9 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.8 | 170.5 | -175.3 | -177 | 178.9 | -173.6 | 0 | 108.6 | D48 F57 | D48-K59 HydrophobicContact CB-CB 4.43Å; D48-K59 PolarHBondContact N-O 2.96Å; D48-K59 PolarHBondContact O-N 3.27Å; F57-K59 HydrophobicContact CE2-CB 4.45Å |
| 60 | I | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.7 | 177.1 | -54.3 | 163.1 | 0 | 0 | 0 | 107.7 | Y46 L47 I58 R71 L72 L74 F82 I171 F181 | Y46-I60 CarbonylContact O-C 3.52Å; Y46-I60 VanDerWaalsContact O-CA 3.28Å; Y46-I60 WeakPolarHBondContact O-CA 3.37Å; L47-I60 HydrophobicContact CG-CG1 4.4Å; I58-I60 HydrophobicContact CG2-CG1 4.09Å; I60-R71 CarbonylContact O-C 3.59Å; I60-R71 VanDerWaalsContact O-CA 3.23Å; I60-R71 WeakPolarHBondContact O-CA 3.43Å; I60-L72 HydrophobicContact CB-CB 4.41Å; I60-L72 HydrophobicContact CD1-CD2 4.44Å; I60-L72 PolarHBondContact N-O 3.27Å; I60-L72 PolarHBondContact O-N 3.24Å; I60-L74 HydrophobicContact CD1-CD1 3.68Å; I60-L74 HydrophobicContact CD1-CG 4.24Å; I60-F82 HydrophobicContact CD1-CE1 4.49Å; I60-I171 HydrophobicContact CB-CD1 4.38Å; I60-I171 HydrophobicContact CD1-CD1 4.39Å; I60-I171 HydrophobicContact CG2-CD1 3.73Å; I60-F181 HydrophobicContact CD1-CE1 4.43Å; I60-F181 HydrophobicContact CD1-CZ 3.99Å; I60-F181 HydrophobicContact CG1-CZ 4.35Å; I60-F181 HydrophobicContact CG2-CE2 4.2Å; I60-F181 HydrophobicContact CG2-CZ 3.9Å |
| 61 | A | 94.8 | Very high | 86.5 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F45 Y46 S70 | F45-A61 CarbonylContact C-O 3.46Å; F45-A61 VanDerWaalsContact CA-O 3.25Å; F45-A61 WeakPolarHBondContact CA-O 3.37Å; Y46-A61 PolarHBondContact N-O 3.13Å; Y46-A61 PolarHBondContact O-N 3.41Å; A61-S70 WeakPolarHBondContact CA-O 3.03Å |
| 62 | E | 93.9 | Very high | 86.8 | Confident | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.7 | 170.8 | 173 | -169.7 | 162.4 | 0 | 0 | 108.8 | K43 F45 K69 S70 I171 A172 | K43-E62 HydrophobicContact CD-CG 4.25Å; K43-E62 WeakPolarHBondContact CD-OE1 3.48Å; K43-E62 WeakPolarHBondContact CE-OE1 3.31Å; K43-E62 IonicContact NZ-OE1 3.39Å; K43-E62 PolarHBondContact NZ-OE1 3.08Å; F45-E62 HydrophobicContact CD1-CB 3.94Å; F45-E62 HydrophobicContact CD1-CG 4.3Å; F45-E62 HydrophobicContact CE1-CB 3.68Å; F45-E62 HydrophobicContact CE1-CG 3.68Å; F45-E62 HydrophobicContact CZ-CB 4.49Å; F45-E62 HydrophobicContact CZ-CG 4Å; E62-K69 WeakPolarHBondContact O-CA 3.15Å; E62-S70 WeakPolarHBondContact CB-OG 3.33Å; E62-S70 PolarHBondContact N-O 3.5Å; E62-S70 PolarHBondContact O-N 2.86Å; E62-S70 PolarHBondContact OE2-OG 3.02Å; E62-I171 HydrophobicContact CB-CB 4.41Å; E62-I171 HydrophobicContact CB-CG2 4.03Å; E62-I171 WeakPolarHBondContact OE2-CA 3.3Å; E62-I171 WeakPolarHBondContact OE2-CB 3.41Å; E62-A172 PolarHBondContact OE2-N 3.41Å |
| 63 | V | 93.1 | Very high | 87.2 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 112.2 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | K43 R44 Y46 K69 | K43-V63 WeakPolarHBondContact CA-O 3.39Å; R44-V63 HydrophobicContact CB-CB 4.38Å; R44-V63 PolarHBondContact N-O 3.41Å; R44-V63 PolarHBondContact O-N 3.18Å; Y46-V63 HydrophobicContact CD2-CG2 4.23Å; Y46-V63 HydrophobicContact CE2-CG2 3.84Å; V63-K69 HydrophobicContact CG1-CG 4.5Å; V63-K69 HydrophobicContact CG2-CG 4.33Å |
| 64 | G | 87.4 | Confident | 87.9 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 163.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G66 G67 S68 | G64-G66 PolarHBondContact O-N 3Å; G64-G66 VanDerWaalsContact O-N 3.12Å; G64-G67 PolarHBondContact O-N 3.31Å; G64-S68 PolarHBondContact N-O 3.45Å |
| 65 | A | 73.6 | Confident | 88.7 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 63% | 0.628 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | N42 G67 | N42-A65 HydrophobicContact CB-CB 4.02Å; N42-A65 WeakPolarHBondContact ND2-CB 3.36Å; N42-A65 PolarHBondContact O-N 2.8Å; A65-G67 VanDerWaalsContact C-N 3.31Å |
| 66 | G | 74.4 | Confident | 89 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 83% | 0.825 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 13.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G64 S68 | G64-G66 PolarHBondContact O-N 3Å; G64-G66 VanDerWaalsContact O-N 3.12Å; G66-S68 PolarHBondContact O-N 3.38Å |
| 67 | G | 75.7 | Confident | 89 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 52% | 0.515 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 75.9 | 3.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G64 A65 K69 | G64-G67 PolarHBondContact O-N 3.31Å; A65-G67 VanDerWaalsContact C-N 3.31Å; G67-K69 PolarHBondContact O-N 3.26Å |
| 68 | S | 82.8 | Confident | 88.9 | Confident | 76 Ų | 76 | 42 Ų | 42 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | trans | -63.6 | 124.4 | 173.8 | 62.7 | 0 | 0 | 0 | 0 | 109.7 | G64 G66 | G64-S68 PolarHBondContact N-O 3.45Å; G66-S68 PolarHBondContact O-N 3.38Å | ||
| 69 | K | 88.1 | Confident | 88.9 | Confident | 176 Ų | 176 | 42 Ų | 42 | 77% | 0.765 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.4 | 178.1 | -63 | -177.8 | -176.1 | 176.1 | 0 | 109.2 | E62 V63 G67 | E62-K69 WeakPolarHBondContact O-CA 3.15Å; V63-K69 HydrophobicContact CG1-CG 4.5Å; V63-K69 HydrophobicContact CG2-CG 4.33Å; G67-K69 PolarHBondContact O-N 3.26Å |
| 70 | S | 89.8 | Confident | 88.7 | Confident | 37 Ų | 37 | 41.1 Ų | 41.1 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 159 | 170.8 | 64 | 0 | 0 | 0 | 0 | 110 | A61 E62 T170 | A61-S70 WeakPolarHBondContact CA-O 3.03Å; E62-S70 WeakPolarHBondContact CB-OG 3.33Å; E62-S70 PolarHBondContact N-O 3.5Å; E62-S70 PolarHBondContact O-N 2.86Å; E62-S70 PolarHBondContact OE2-OG 3.02Å; S70-T170 WeakPolarHBondContact CB-O 3.44Å; S70-T170 PolarHBondContact OG-O 3.06Å; S70-T170 VanDerWaalsContact OG-O 3.08Å |
| 71 | R | 91.2 | Very high | 88.6 | Confident | 114 Ų | 114 | 44.1 Ų | 44.1 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 149.8 | -175.5 | 69.6 | -178.7 | -175.8 | -173.3 | -0.1 | 111.6 | I60 Q169 | I60-R71 CarbonylContact O-C 3.59Å; I60-R71 VanDerWaalsContact O-CA 3.23Å; I60-R71 WeakPolarHBondContact O-CA 3.43Å; R71-Q169 WeakPolarHBondContact O-CA 3.39Å; R71-Q169 WeakPolarHBondContact O-CB 3.5Å |
| 72 | L | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.1 | 173.5 | -176.1 | 64.6 | 0 | 0 | 0 | 108.5 | I60 L74 Y131 I146 Q148 Q169 I171 | I60-L72 HydrophobicContact CB-CB 4.41Å; I60-L72 HydrophobicContact CD1-CD2 4.44Å; I60-L72 PolarHBondContact N-O 3.27Å; I60-L72 PolarHBondContact O-N 3.24Å; L72-L74 HydrophobicContact CD1-CD2 4.24Å; L72-L74 HydrophobicContact CD2-CD1 4.42Å; L72-L74 HydrophobicContact CD2-CD2 3.91Å; L72-L74 HydrophobicContact CD2-CG 4.34Å; L72-L74 HydrophobicContact CG-CD2 3.8Å; L72-L74 HydrophobicContact CG-CG 4.26Å; L72-Y131 HydrophobicContact CD1-CD1 4.35Å; L72-Y131 HydrophobicContact CD1-CE1 4.12Å; L72-I146 HydrophobicContact CD2-CB 4.26Å; L72-I146 HydrophobicContact CD2-CG2 3.5Å; L72-I146 VanDerWaalsContact CD2-CG2 3.5Å; L72-Q148 HydrophobicContact CD1-CB 3.63Å; L72-Q169 HydrophobicContact CD1-CB 4.13Å; L72-I171 HydrophobicContact CB-CD1 4.34Å; L72-I171 HydrophobicContact CB-CG1 4.49Å; L72-I171 HydrophobicContact CB-CG2 4.14Å; L72-I171 HydrophobicContact CD2-CD1 3.9Å; L72-I171 HydrophobicContact CD2-CG1 4.09Å |
| 73 | T | 91.7 | Very high | 88.6 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.4 | 178 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | F57 I58 Y131 Q148 | F57-T73 HydrophobicContact CD2-CG2 3.55Å; F57-T73 HydrophobicContact CE2-CG2 4.07Å; F57-T73 HydrophobicContact CG-CG2 4.35Å; I58-T73 WeakPolarHBondContact O-CA 3.42Å; T73-Y131 PolarHBondContact O-OH 3.44Å; T73-Q148 PolarHBondContact O-OE1 2.92Å |
| 74 | L | 91.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.5 | -175 | -52.5 | -177.8 | 0 | 0 | 0 | 109.2 | F57 I58 I60 L72 V78 A79 F82 Y131 | F57-L74 CarbonylContact C-O 3.52Å; F57-L74 WeakPolarHBondContact CA-O 3.46Å; F57-L74 VanDerWaalsContact CB-O 3.3Å; F57-L74 WeakPolarHBondContact CB-O 3.29Å; I58-L74 PolarHBondContact N-O 3.31Å; I58-L74 PolarHBondContact O-N 2.88Å; I60-L74 HydrophobicContact CD1-CD1 3.68Å; I60-L74 HydrophobicContact CD1-CG 4.24Å; L72-L74 HydrophobicContact CD1-CD2 4.24Å; L72-L74 HydrophobicContact CD2-CD1 4.42Å; L72-L74 HydrophobicContact CD2-CD2 3.91Å; L72-L74 HydrophobicContact CD2-CG 4.34Å; L72-L74 HydrophobicContact CG-CD2 3.8Å; L72-L74 HydrophobicContact CG-CG 4.26Å; L74-V78 HydrophobicContact CB-CB 4.46Å; L74-V78 HydrophobicContact CB-CG1 4.04Å; L74-V78 HydrophobicContact CD2-CG1 3.8Å; L74-V78 HydrophobicContact CG-CG1 4.33Å; L74-A79 HydrophobicContact CB-CB 4.49Å; L74-F82 HydrophobicContact CD1-CD1 3.69Å; L74-F82 HydrophobicContact CD1-CE1 4.33Å; L74-F82 HydrophobicContact CD1-CG 4.42Å; L74-Y131 HydrophobicContact CD2-CD1 3.86Å; L74-Y131 HydrophobicContact CD2-CE1 3.28Å |
| 75 | S | 90.8 | Very high | 89 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 160.2 | 161.2 | 59.5 | 0 | 0 | 0 | 0 | 109.4 | S77 V78 A79 | S75-S77 PolarHBondContact O-N 2.82Å; S75-S77 PolarHBondContact OG-OG 3.38Å; S75-V78 PolarHBondContact O-N 3.46Å; S75-V78 WeakPolarHBondContact OG-CB 3.29Å; S75-V78 VanDerWaalsContact OG-CG2 3.26Å; S75-V78 WeakPolarHBondContact OG-CG2 3.45Å; S75-V78 PolarHBondContact OG-N 3.42Å; S75-A79 WeakPolarHBondContact O-CB 3.23Å; S75-A79 PolarHBondContact O-N 2.8Å |
| 76 | L | 90.1 | Very high | 90 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -33.8 | 176.9 | -91 | 69.3 | 0 | 0 | 0 | 112 | R56 F57 I58 A79 A80 Y192 G193 | R56-L76 VanDerWaalsContact C-CD1 3.43Å; R56-L76 HydrophobicContact CB-CD1 3.69Å; R56-L76 HydrophobicContact CB-CD2 4.09Å; R56-L76 HydrophobicContact CB-CG 4.46Å; R56-L76 WeakPolarHBondContact O-CD1 3.29Å; F57-L76 VanDerWaalsContact CA-CD1 3.47Å; I58-L76 HydrophobicContact CD1-CD1 4.48Å; I58-L76 HydrophobicContact CD1-CG 4.45Å; I58-L76 HydrophobicContact CG1-CD1 3.76Å; I58-L76 HydrophobicContact CG1-CG 4.25Å; L76-A79 WeakPolarHBondContact O-CB 3.37Å; L76-A79 PolarHBondContact O-N 2.94Å; L76-A80 PolarHBondContact O-N 3.18Å; L76-Y192 WeakPolarHBondContact CD2-O 3.46Å; L76-G193 VanDerWaalsContact CD2-CA 3.49Å |
| 77 | S | 88.5 | Confident | 90.9 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 171.6 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | S75 A79 A80 E81 | S75-S77 PolarHBondContact O-N 2.82Å; S75-S77 PolarHBondContact OG-OG 3.38Å; S77-A79 VanDerWaalsContact C-N 3.28Å; S77-A79 PolarHBondContact O-N 3.36Å; S77-A80 WeakPolarHBondContact O-CB 3.31Å; S77-A80 PolarHBondContact O-N 3.22Å; S77-E81 PolarHBondContact O-N 3.07Å |
| 78 | V | 91.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 175.8 | 164.8 | 0 | 0 | 0 | 0 | 111.3 | L74 S75 A80 F82 L124 R126 Y131 | L74-V78 HydrophobicContact CB-CB 4.46Å; L74-V78 HydrophobicContact CB-CG1 4.04Å; L74-V78 HydrophobicContact CD2-CG1 3.8Å; L74-V78 HydrophobicContact CG-CG1 4.33Å; S75-V78 PolarHBondContact O-N 3.46Å; S75-V78 WeakPolarHBondContact OG-CB 3.29Å; S75-V78 VanDerWaalsContact OG-CG2 3.26Å; S75-V78 WeakPolarHBondContact OG-CG2 3.45Å; S75-V78 PolarHBondContact OG-N 3.42Å; V78-A80 VanDerWaalsContact C-N 3.34Å; V78-F82 VanDerWaalsContact O-CB 3.24Å; V78-F82 WeakPolarHBondContact O-CB 3.38Å; V78-F82 PolarHBondContact O-N 2.94Å; V78-L124 HydrophobicContact CB-CD2 4.3Å; V78-L124 HydrophobicContact CG1-CD2 3.66Å; V78-L124 HydrophobicContact CG2-CD2 4.29Å; V78-R126 HydrophobicContact CG2-CB 3.65Å; V78-R126 HydrophobicContact CG2-CG 3.65Å; V78-Y131 HydrophobicContact CG1-CD2 4.35Å; V78-Y131 HydrophobicContact CG1-CE2 4Å; V78-Y131 HydrophobicContact CG2-CE2 4.41Å |
| 79 | A | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -36.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I58 L74 S75 L76 S77 F82 R83 L185 I189 | I58-A79 HydrophobicContact CD1-CB 3.87Å; L74-A79 HydrophobicContact CB-CB 4.49Å; S75-A79 WeakPolarHBondContact O-CB 3.23Å; S75-A79 PolarHBondContact O-N 2.8Å; L76-A79 WeakPolarHBondContact O-CB 3.37Å; L76-A79 PolarHBondContact O-N 2.94Å; S77-A79 VanDerWaalsContact C-N 3.28Å; S77-A79 PolarHBondContact O-N 3.36Å; A79-F82 PolarHBondContact O-N 3.34Å; A79-R83 WeakPolarHBondContact O-CB 3.46Å; A79-R83 PolarHBondContact O-N 3.48Å; A79-L185 HydrophobicContact CB-CD1 4.17Å; A79-L185 WeakPolarHBondContact O-CD2 3.36Å; A79-I189 HydrophobicContact CB-CD1 4.13Å; A79-I189 HydrophobicContact CB-CG1 4.34Å |
| 80 | A | 91.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -49.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L76 S77 V78 F82 R83 D84 I189 | L76-A80 PolarHBondContact O-N 3.18Å; S77-A80 WeakPolarHBondContact O-CB 3.31Å; S77-A80 PolarHBondContact O-N 3.22Å; V78-A80 VanDerWaalsContact C-N 3.34Å; A80-F82 PolarHBondContact O-N 2.89Å; A80-R83 WeakPolarHBondContact O-CB 3.43Å; A80-R83 PolarHBondContact O-N 3.12Å; A80-R83 VanDerWaalsContact O-N 3.09Å; A80-D84 PolarHBondContact O-N 3.4Å; A80-I189 HydrophobicContact CB-CD1 4.35Å; A80-I189 HydrophobicContact CB-CG2 4.47Å |
| 81 | E | 92.9 | Very high | 92.9 | Very high | 63 Ų | 63 | 38.4 Ų | 38.4 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 174.7 | -62.9 | -177.4 | -108 | 0 | 0 | 111 | S77 R83 D84 Y85 L124 | S77-E81 PolarHBondContact O-N 3.07Å; E81-R83 PolarHBondContact O-N 3.04Å; E81-D84 PolarHBondContact O-N 3.38Å; E81-Y85 WeakPolarHBondContact O-CD2 3.36Å; E81-Y85 PolarHBondContact O-N 3.43Å; E81-L124 HydrophobicContact CB-CD1 4.23Å; E81-L124 HydrophobicContact CB-CD2 4.17Å; E81-L124 WeakPolarHBondContact OE2-CD1 3.44Å |
| 82 | F | 93.8 | Very high | 93 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 175.7 | 179.1 | -138 | 0 | 0 | 0 | 112.9 | I60 L74 V78 A79 A80 D84 Y85 L86 L133 L144 I146 F181 L185 | I60-F82 HydrophobicContact CD1-CE1 4.49Å; L74-F82 HydrophobicContact CD1-CD1 3.69Å; L74-F82 HydrophobicContact CD1-CE1 4.33Å; L74-F82 HydrophobicContact CD1-CG 4.42Å; V78-F82 VanDerWaalsContact O-CB 3.24Å; V78-F82 WeakPolarHBondContact O-CB 3.38Å; V78-F82 PolarHBondContact O-N 2.94Å; A79-F82 PolarHBondContact O-N 3.34Å; A80-F82 PolarHBondContact O-N 2.89Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 2.81Å; F82-Y85 PolarHBondContact O-N 3.02Å; F82-L86 HydrophobicContact CD1-CD1 4.47Å; F82-L86 HydrophobicContact CD2-CD1 4.48Å; F82-L86 HydrophobicContact CD2-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 4.06Å; F82-L86 HydrophobicContact CE2-CD1 4.07Å; F82-L86 HydrophobicContact CE2-CD2 3.74Å; F82-L86 HydrophobicContact CE2-CG 3.68Å; F82-L86 HydrophobicContact CZ-CD1 3.82Å; F82-L86 HydrophobicContact CZ-CD2 3.88Å; F82-L86 HydrophobicContact CZ-CG 3.92Å; F82-L86 WeakPolarHBondContact O-CG 3.43Å; F82-L86 PolarHBondContact O-N 2.93Å; F82-L133 HydrophobicContact CD2-CD2 3.52Å; F82-L133 HydrophobicContact CE2-CD2 3.56Å; F82-L144 HydrophobicContact CE2-CD2 4.46Å; F82-I146 HydrophobicContact CE1-CD1 4.25Å; F82-I146 HydrophobicContact CE2-CD1 3.79Å; F82-I146 HydrophobicContact CE2-CG1 4.1Å; F82-I146 HydrophobicContact CZ-CD1 3.32Å; F82-I146 HydrophobicContact CZ-CG1 4.11Å; F82-F181 HydrophobicContact CE1-CD1 4.48Å; F82-F181 AromaticContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CZ-CE1 4.35Å; F82-L185 HydrophobicContact CD1-CD2 3.6Å; F82-L185 HydrophobicContact CE1-CD2 4.14Å; F82-L185 HydrophobicContact CG-CD2 4.33Å |
| 83 | R | 94.9 | Very high | 93 | Very high | 73 Ų | 73 | 38.4 Ų | 38.4 | 28% | 0.275 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 174 | 177.9 | -84.1 | -61.8 | -94.3 | -1.6 | 111.1 | A79 A80 E81 L86 G87 R182 L185 A186 I189 | A79-R83 WeakPolarHBondContact O-CB 3.46Å; A79-R83 PolarHBondContact O-N 3.48Å; A80-R83 WeakPolarHBondContact O-CB 3.43Å; A80-R83 PolarHBondContact O-N 3.12Å; A80-R83 VanDerWaalsContact O-N 3.09Å; E81-R83 PolarHBondContact O-N 3.04Å; R83-L86 WeakPolarHBondContact O-CB 3.46Å; R83-L86 PolarHBondContact O-N 3.07Å; R83-G87 PolarHBondContact O-N 3.05Å; R83-R182 HydrophobicContact CG-CG 4.1Å; R83-L185 HydrophobicContact CB-CD2 4.09Å; R83-A186 HydrophobicContact CG-CB 4.09Å; R83-I189 HydrophobicContact CB-CD1 4.1Å |
| 84 | D | 93.9 | Very high | 93 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 46% | 0.46 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.4 | -47.3 | -179.1 | -59.1 | -21 | 0 | 0 | 0 | 110.6 | A80 E81 F82 L86 G87 D88 | A80-D84 PolarHBondContact O-N 3.4Å; E81-D84 PolarHBondContact O-N 3.38Å; F82-D84 VanDerWaalsContact C-N 3.28Å; F82-D84 PolarHBondContact O-N 2.81Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 2.95Å; D84-G87 WeakPolarHBondContact O-CA 3.5Å; D84-G87 PolarHBondContact O-N 3.49Å; D84-D88 PolarHBondContact O-N 2.83Å |
| 85 | Y | 94.6 | Very high | 93 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 174 | -75.2 | -58.8 | 0 | 0 | 0 | 112.9 | E81 F82 G87 D88 F89 E122 L124 | E81-Y85 WeakPolarHBondContact O-CD2 3.36Å; E81-Y85 PolarHBondContact O-N 3.43Å; F82-Y85 PolarHBondContact O-N 3.02Å; Y85-G87 PolarHBondContact O-N 2.82Å; Y85-D88 PolarHBondContact O-N 3.1Å; Y85-D88 VanDerWaalsContact O-N 3.16Å; Y85-F89 WeakPolarHBondContact O-CD2 3.42Å; Y85-F89 PolarHBondContact O-N 3.32Å; Y85-E122 HydrophobicContact CD1-CB 4.16Å; Y85-E122 HydrophobicContact CD1-CG 4.03Å; Y85-E122 HydrophobicContact CE1-CB 4.27Å; Y85-E122 HydrophobicContact CE1-CG 4.24Å; Y85-L124 HydrophobicContact CE2-CB 4.29Å |
| 86 | L | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 174.4 | -75.7 | 173.7 | 0 | 0 | 0 | 111.5 | F82 R83 D84 F89 I90 L144 L178 F181 R182 L185 | F82-L86 HydrophobicContact CD1-CD1 4.47Å; F82-L86 HydrophobicContact CD2-CD1 4.48Å; F82-L86 HydrophobicContact CD2-CG 4.1Å; F82-L86 HydrophobicContact CE1-CD1 4.06Å; F82-L86 HydrophobicContact CE2-CD1 4.07Å; F82-L86 HydrophobicContact CE2-CD2 3.74Å; F82-L86 HydrophobicContact CE2-CG 3.68Å; F82-L86 HydrophobicContact CZ-CD1 3.82Å; F82-L86 HydrophobicContact CZ-CD2 3.88Å; F82-L86 HydrophobicContact CZ-CG 3.92Å; F82-L86 WeakPolarHBondContact O-CG 3.43Å; F82-L86 PolarHBondContact O-N 2.93Å; R83-L86 WeakPolarHBondContact O-CB 3.46Å; R83-L86 PolarHBondContact O-N 3.07Å; D84-L86 VanDerWaalsContact C-N 3.26Å; D84-L86 PolarHBondContact O-N 2.95Å; L86-F89 PolarHBondContact O-N 2.84Å; L86-I90 WeakPolarHBondContact O-CB 3.33Å; L86-I90 VanDerWaalsContact O-CD1 3.25Å; L86-I90 WeakPolarHBondContact O-CD1 3.04Å; L86-I90 WeakPolarHBondContact O-CG1 3.01Å; L86-I90 PolarHBondContact O-N 2.79Å; L86-L144 HydrophobicContact CD2-CD2 3.54Å; L86-L178 HydrophobicContact CD2-CD2 3.65Å; L86-F181 HydrophobicContact CD1-CD1 3.86Å; L86-R182 HydrophobicContact CB-CB 4.11Å; L86-R182 HydrophobicContact CB-CG 4.18Å; L86-R182 HydrophobicContact CD1-CB 4.14Å; L86-L185 HydrophobicContact CD1-CD2 4.35Å |
| 87 | G | 93.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.3 | -53.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R83 D84 Y85 F89 I90 E91 | R83-G87 PolarHBondContact O-N 3.05Å; D84-G87 WeakPolarHBondContact O-CA 3.5Å; D84-G87 PolarHBondContact O-N 3.49Å; Y85-G87 PolarHBondContact O-N 2.82Å; G87-F89 VanDerWaalsContact C-N 3.26Å; G87-F89 PolarHBondContact O-N 2.89Å; G87-I90 WeakPolarHBondContact O-CB 3.28Å; G87-I90 PolarHBondContact O-N 3.02Å; G87-E91 PolarHBondContact O-N 2.97Å |
| 88 | D | 94.9 | Very high | 91.9 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -31.7 | -179.8 | -58.2 | -21.8 | 0 | 0 | 0 | 113.2 | D84 Y85 H92 K120 | D84-D88 PolarHBondContact O-N 2.83Å; Y85-D88 PolarHBondContact O-N 3.1Å; Y85-D88 VanDerWaalsContact O-N 3.16Å; D88-H92 WeakPolarHBondContact O-CB 3.42Å; D88-H92 PolarHBondContact O-N 2.92Å; D88-K120 PolarHBondContact O-NZ 2.97Å |
| 89 | F | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.8 | -36.6 | 174.6 | -81.4 | -69.5 | 0 | 0 | 0 | 112.1 | Y85 L86 G87 Y93 K120 E122 L133 L135 L144 | Y85-F89 WeakPolarHBondContact O-CD2 3.42Å; Y85-F89 PolarHBondContact O-N 3.32Å; L86-F89 PolarHBondContact O-N 2.84Å; G87-F89 VanDerWaalsContact C-N 3.26Å; G87-F89 PolarHBondContact O-N 2.89Å; F89-Y93 VanDerWaalsContact O-CB 3.23Å; F89-Y93 WeakPolarHBondContact O-CB 3.47Å; F89-Y93 PolarHBondContact O-N 2.81Å; F89-K120 HydrophobicContact CD1-CB 4.16Å; F89-K120 HydrophobicContact CD1-CD 3.86Å; F89-K120 HydrophobicContact CD1-CG 4.05Å; F89-K120 HydrophobicContact CE1-CB 3.73Å; F89-K120 HydrophobicContact CE1-CD 3.85Å; F89-K120 HydrophobicContact CE1-CG 3.54Å; F89-K120 HydrophobicContact CZ-CG 4.24Å; F89-E122 HydrophobicContact CE2-CB 4.02Å; F89-E122 HydrophobicContact CE2-CG 3.93Å; F89-E122 HydrophobicContact CZ-CB 3.93Å; F89-E122 HydrophobicContact CZ-CG 3.78Å; F89-L133 HydrophobicContact CE2-CB 3.77Å; F89-L133 HydrophobicContact CE2-CD2 4.02Å; F89-L133 HydrophobicContact CZ-CB 3.88Å; F89-L135 HydrophobicContact CD1-CB 3.78Å; F89-L135 HydrophobicContact CD1-CD2 4.36Å; F89-L135 HydrophobicContact CE1-CB 3.78Å; F89-L144 HydrophobicContact CD1-CD1 3.91Å; F89-L144 HydrophobicContact CD2-CD1 4.07Å; F89-L144 HydrophobicContact CD2-CD2 4.19Å; F89-L144 HydrophobicContact CE1-CD1 3.77Å; F89-L144 HydrophobicContact CE2-CD1 3.99Å; F89-L144 HydrophobicContact CG-CD1 4.06Å; F89-L144 HydrophobicContact CG-CD2 4.45Å; F89-L144 HydrophobicContact CZ-CD1 3.84Å |
| 90 | I | 94.6 | Very high | 90.4 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 176.2 | -71.1 | 157.5 | 0 | 0 | 0 | 110.1 | L86 G87 H92 Y93 A94 L178 I179 R182 | L86-I90 WeakPolarHBondContact O-CB 3.33Å; L86-I90 VanDerWaalsContact O-CD1 3.25Å; L86-I90 WeakPolarHBondContact O-CD1 3.04Å; L86-I90 WeakPolarHBondContact O-CG1 3.01Å; L86-I90 PolarHBondContact O-N 2.79Å; G87-I90 WeakPolarHBondContact O-CB 3.28Å; G87-I90 PolarHBondContact O-N 3.02Å; I90-H92 PolarHBondContact O-N 2.96Å; I90-Y93 PolarHBondContact O-N 2.87Å; I90-A94 PolarHBondContact O-N 2.94Å; I90-L178 HydrophobicContact CD1-CB 4.15Å; I90-L178 HydrophobicContact CG1-CB 3.61Å; I90-L178 HydrophobicContact CG1-CD1 4.47Å; I90-I179 HydrophobicContact CD1-CB 4.48Å; I90-I179 HydrophobicContact CD1-CG1 3.88Å; I90-I179 HydrophobicContact CG1-CG1 4.06Å; I90-I179 HydrophobicContact CG2-CD1 4.17Å; I90-I179 HydrophobicContact CG2-CG1 3.83Å; I90-R182 HydrophobicContact CD1-CB 4.15Å |
| 91 | E | 95 | Very high | 89.4 | Confident | 126 Ų | 126 | 61.3 Ų | 61.3 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.4 | -46.9 | 177.5 | -70.6 | -178.6 | -176.4 | 0 | 0 | 111.7 | G87 Y93 A94 Q95 | G87-E91 PolarHBondContact O-N 2.97Å; E91-Y93 PolarHBondContact O-N 2.9Å; E91-A94 PolarHBondContact O-N 3.02Å; E91-Q95 WeakPolarHBondContact O-CG 3.29Å; E91-Q95 PolarHBondContact O-N 2.91Å |
| 92 | H | 92.9 | Very high | 88.5 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 22% | 0.222 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.7 | -174.3 | 69 | 0 | 0 | 0 | 111.6 | D88 I90 A94 Q95 L96 K120 | D88-H92 WeakPolarHBondContact O-CB 3.42Å; D88-H92 PolarHBondContact O-N 2.92Å; I90-H92 PolarHBondContact O-N 2.96Å; H92-A94 VanDerWaalsContact C-N 3.31Å; H92-A94 PolarHBondContact O-N 2.92Å; H92-Q95 PolarHBondContact O-N 3.31Å; H92-Q95 VanDerWaalsContact O-N 3.12Å; H92-L96 WeakPolarHBondContact O-CG 3.49Å; H92-L96 PolarHBondContact O-N 3.05Å; H92-K120 HydrophobicContact CB-CD 3.91Å |
| 93 | Y | 92.4 | Very high | 87.4 | Confident | 66 Ų | 66 | 69.1 Ų | 69.1 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 177.4 | 175 | -112.8 | 0 | 0 | 0 | 112.8 | F89 I90 E91 Q95 L96 R142 A175 | F89-Y93 VanDerWaalsContact O-CB 3.23Å; F89-Y93 WeakPolarHBondContact O-CB 3.47Å; F89-Y93 PolarHBondContact O-N 2.81Å; I90-Y93 PolarHBondContact O-N 2.87Å; E91-Y93 PolarHBondContact O-N 2.9Å; Y93-Q95 PolarHBondContact O-N 2.92Å; Y93-L96 PolarHBondContact O-N 2.85Å; Y93-R142 HydrophobicContact CE2-CB 4.15Å; Y93-R142 HydrophobicContact CE2-CG 4.46Å; Y93-A175 HydrophobicContact CD1-CB 4.43Å; Y93-A175 HydrophobicContact CD2-CB 3.8Å; Y93-A175 HydrophobicContact CE1-CB 4.24Å; Y93-A175 HydrophobicContact CE2-CB 3.6Å; Y93-A175 HydrophobicContact CG-CB 4.22Å |
| 94 | A | 91.6 | Very high | 86.4 | Confident | 81 Ų | 81 | 68 Ų | 68 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.5 | -27.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I90 E91 H92 | I90-A94 PolarHBondContact O-N 2.94Å; E91-A94 PolarHBondContact O-N 3.02Å; H92-A94 VanDerWaalsContact C-N 3.31Å; H92-A94 PolarHBondContact O-N 2.92Å |
| 95 | Q | 91 | Very high | 85.2 | Confident | 151 Ų | 151 | 66.7 Ų | 66.7 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -83 | -19.6 | 179.2 | -65.5 | 170.5 | 6.9 | 0 | 0 | 113.7 | E91 H92 Y93 G97 | E91-Q95 WeakPolarHBondContact O-CG 3.29Å; E91-Q95 PolarHBondContact O-N 2.91Å; H92-Q95 PolarHBondContact O-N 3.31Å; H92-Q95 VanDerWaalsContact O-N 3.12Å; Y93-Q95 PolarHBondContact O-N 2.92Å; Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 2.97Å |
| 96 | L | 85 | Confident | 84 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 26% | 0.262 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -76 | -3 | -168.3 | -77.6 | 172.4 | 0 | 0 | 0 | 115.3 | H92 Y93 L119 L135 R142 | H92-L96 WeakPolarHBondContact O-CG 3.49Å; H92-L96 PolarHBondContact O-N 3.05Å; Y93-L96 PolarHBondContact O-N 2.85Å; L96-L119 HydrophobicContact CD1-CB 4.44Å; L96-L119 HydrophobicContact CD1-CD1 3.93Å; L96-L135 HydrophobicContact CD1-CD2 4.05Å; L96-R142 PolarHBondContact O-NH2 3.34Å; L96-R142 VanDerWaalsContact O-NH2 3.07Å |
| 97 | G | 80.3 | Confident | 82.6 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 42% | 0.423 | 42% | 0.419 | S | S | . | . | trans | 54 | -174.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q95 R142 | Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 2.97Å; G97-R142 PolarHBondContact O-NH1 2.83Å; G97-R142 PolarHBondContact O-NH2 3.32Å | ||
| 98 | P | 81 | Confident | 81.1 | Confident | 130 Ų | 130 | 75.1 Ų | 75.1 | 84% | 0.844 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -71.4 | 135.6 | 169.8 | 28.4 | -31 | 0 | 0 | 0 | 110.6 | ||
| 99 | S | 77 | Confident | 79.4 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 139.5 | 179 | -51 | 0 | 0 | 0 | 0 | 112 | E137 R142 | S99-E137 WeakPolarHBondContact CB-OE1 3.23Å; S99-E137 PolarHBondContact OG-OE1 2.79Å; S99-E137 PolarHBondContact OG-OE2 2.67Å; S99-R142 PolarHBondContact OG-NE 3.35Å; S99-R142 PolarHBondContact OG-NH2 3.25Å |
| 100 | T | 77.1 | Confident | 77.5 | Confident | 60 Ų | 60 | 77.6 Ų | 77.6 | 37% | 0.368 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 151.7 | 171.4 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | E102 Q103 I104 | T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 VanDerWaalsContact O-N 3.16Å; T100-Q103 WeakPolarHBondContact O-CB 3.5Å; T100-Q103 PolarHBondContact O-N 3.32Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.3Å; T100-Q103 PolarHBondContact OG1-N 3.11Å; T100-Q103 PolarHBondContact OG1-OE1 3.07Å; T100-I104 PolarHBondContact O-N 3.05Å; T100-I104 VanDerWaalsContact O-N 3.13Å |
| 101 | P | 71.7 | Confident | 75.2 | Confident | 111 Ų | 111 | 85.4 Ų | 85.4 | 72% | 0.721 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.3 | -32.4 | 176.3 | -27.2 | 35.6 | 0 | 0 | 0 | 113.6 | I104 A105 | P101-I104 PolarHBondContact O-N 3.3Å; P101-A105 WeakPolarHBondContact O-CB 3.41Å; P101-A105 PolarHBondContact O-N 3.06Å |
| 102 | E | 72.4 | Confident | 72.6 | Confident | 144 Ų | 144 | 87.3 Ų | 87.3 | 67% | 0.673 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 175.7 | -66.3 | 172.2 | 179.4 | 0 | 0 | 112.4 | T100 A105 Q106 | T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 VanDerWaalsContact O-N 3.16Å; E102-A105 PolarHBondContact O-N 2.8Å; E102-Q106 WeakPolarHBondContact O-CB 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.33Å; E102-Q106 PolarHBondContact O-N 2.82Å |
| 103 | Q | 72.6 | Confident | 70.1 | Confident | 91 Ų | 91 | 89.1 Ų | 89.1 | 43% | 0.425 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 175.8 | -72.4 | 167.5 | -16.2 | 0 | 0 | 111.4 | T100 A105 Q106 A107 | T100-Q103 WeakPolarHBondContact O-CB 3.5Å; T100-Q103 PolarHBondContact O-N 3.32Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.3Å; T100-Q103 PolarHBondContact OG1-N 3.11Å; T100-Q103 PolarHBondContact OG1-OE1 3.07Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; Q103-Q106 PolarHBondContact O-N 3.27Å; Q103-A107 VanDerWaalsContact O-CB 3.26Å; Q103-A107 WeakPolarHBondContact O-CB 3.37Å; Q103-A107 PolarHBondContact O-N 3.02Å |
| 104 | I | 72 | Confident | 67.6 | Low | 51 Ų | 51 | 88.1 Ų | 88.1 | 26% | 0.262 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -43 | 175.2 | -61.6 | 169.5 | 0 | 0 | 0 | 110 | T100 P101 A107 T108 Q139 | T100-I104 PolarHBondContact O-N 3.05Å; T100-I104 VanDerWaalsContact O-N 3.13Å; P101-I104 PolarHBondContact O-N 3.3Å; I104-A107 PolarHBondContact O-N 3.17Å; I104-T108 VanDerWaalsContact O-CB 3.29Å; I104-T108 WeakPolarHBondContact O-CB 3.5Å; I104-T108 PolarHBondContact O-N 3.23Å; I104-T108 PolarHBondContact O-OG1 3.2Å; I104-Q139 HydrophobicContact CG2-CG 4.34Å |
| 105 | A | 69.6 | Low | 65.3 | Low | 57 Ų | 57 | 90.4 Ų | 90.4 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P101 E102 Q103 A107 T108 A109 | P101-A105 WeakPolarHBondContact O-CB 3.41Å; P101-A105 PolarHBondContact O-N 3.06Å; E102-A105 PolarHBondContact O-N 2.8Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; A105-A107 PolarHBondContact O-N 3.09Å; A105-T108 PolarHBondContact O-N 2.94Å; A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 3.23Å |
| 106 | Q | 68.4 | Low | 63.9 | Low | 151 Ų | 151 | 91.6 Ų | 91.6 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -38.1 | 175.8 | -74.1 | 174.9 | 6.2 | 0 | 0 | 112.8 | E102 Q103 T108 | E102-Q106 WeakPolarHBondContact O-CB 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.33Å; E102-Q106 PolarHBondContact O-N 2.82Å; Q103-Q106 PolarHBondContact O-N 3.27Å; Q106-T108 VanDerWaalsContact C-N 3.29Å; Q106-T108 PolarHBondContact O-N 3.31Å |
| 107 | A | 66.2 | Low | 63.2 | Low | 42 Ų | 42 | 100.7 Ų | 100.7 | 35% | 0.347 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.5 | -28 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q103 I104 A105 E137 | Q103-A107 VanDerWaalsContact O-CB 3.26Å; Q103-A107 WeakPolarHBondContact O-CB 3.37Å; Q103-A107 PolarHBondContact O-N 3.02Å; I104-A107 PolarHBondContact O-N 3.17Å; A105-A107 PolarHBondContact O-N 3.09Å; A107-E137 HydrophobicContact CB-CB 4.44Å |
| 108 | T | 62.5 | Low | 63.3 | Low | 55 Ų | 55 | 99.8 Ų | 99.8 | 34% | 0.337 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -92.9 | -32.9 | -177.8 | -48 | 0 | 0 | 0 | 0 | 112.9 | I104 A105 Q106 G110 Q139 | I104-T108 VanDerWaalsContact O-CB 3.29Å; I104-T108 WeakPolarHBondContact O-CB 3.5Å; I104-T108 PolarHBondContact O-N 3.23Å; I104-T108 PolarHBondContact O-OG1 3.2Å; A105-T108 PolarHBondContact O-N 2.94Å; Q106-T108 VanDerWaalsContact C-N 3.29Å; Q106-T108 PolarHBondContact O-N 3.31Å; T108-G110 VanDerWaalsContact C-N 3.26Å; T108-G110 PolarHBondContact O-N 3.41Å; T108-Q139 HydrophobicContact CG2-CG 4.07Å |
| 109 | A | 59.3 | Low | 63.6 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | trans | -78.6 | 2.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | A105 E111 | A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 3.23Å; A109-E111 PolarHBondContact O-N 2.84Å | ||
| 110 | G | 53.9 | Low | 64.3 | Low | 42 Ų | 42 | 97.3 Ų | 97.3 | 43% | 0.433 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | 47.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T108 | T108-G110 VanDerWaalsContact C-N 3.26Å; T108-G110 PolarHBondContact O-N 3.41Å |
| 111 | E | 46.8 | Very low | 65.1 | Low | 185 Ų | 185 | 97.6 Ų | 97.6 | 86% | 0.864 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -25.2 | 178.2 | -106.8 | -175.7 | 152.7 | 0 | 0 | 112.7 | A109 G113 | A109-E111 PolarHBondContact O-N 2.84Å; E111-G113 PolarHBondContact O-N 3.38Å |
| 112 | D | 41.3 | Very low | 66.1 | Low | 165 Ų | 165 | 95.3 Ų | 95.3 | 88% | 0.882 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -90.9 | 82.1 | 177.1 | -78.1 | -31.4 | 0 | 0 | 0 | 112.4 | G114 | D112-G114 PolarHBondContact O-N 3.19Š|
| 113 | G | 40.7 | Very low | 66.9 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 89% | 0.887 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 66.1 | -6.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | E111 | E111-G113 PolarHBondContact O-N 3.38Š|
| 114 | G | 38.4 | Very low | 67.7 | Low | 45 Ų | 45 | 89.8 Ų | 89.8 | 46% | 0.464 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -85 | 150.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D112 R116 | D112-G114 PolarHBondContact O-N 3.19Å; G114-R116 PolarHBondContact O-N 2.8Å |
| 115 | P | 44 | Very low | 68.3 | Low | 129 Ų | 129 | 91.1 Ų | 91.1 | 84% | 0.838 | 52% | 0.521 | S | S | * | . | trans | -63.6 | 110.5 | 175.5 | 25.4 | -30.9 | 0 | 0 | 0 | 109.2 | R117 | P115-R117 PolarHBondContact O-N 3.24Š| ||
| 116 | R | 61.5 | Low | 68.9 | Low | 177 Ų | 177 | 94 Ų | 94 | 67% | 0.668 | 52% | 0.519 | S | S | * | . | trans | -39.4 | 105 | 171.8 | -68.3 | -176.3 | -175.7 | 144.2 | 3.7 | 109.6 | G114 A118 K136 | G114-R116 PolarHBondContact O-N 2.8Å; R116-A118 PolarHBondContact O-N 3Å; R116-A118 VanDerWaalsContact O-N 3.09Å; R116-K136 PolarHBondContact O-NZ 2.9Å | ||
| 117 | R | 70.3 | Confident | 69.4 | Low | 241 Ų | 241 | 94.6 Ų | 94.6 | 91% | 0.909 | 52% | 0.522 | S | S | * | . | trans | -64.1 | 114.1 | -168.1 | -164.1 | 174.1 | -177.8 | -179.3 | 0.1 | 108.1 | P115 | P115-R117 PolarHBondContact O-N 3.24Š| ||
| 118 | A | 83.1 | Confident | 70.1 | Confident | 21 Ų | 21 | 96.6 Ų | 96.6 | 17% | 0.174 | 53% | 0.527 | C | S | . | . | trans | -66.4 | 142.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R116 K120 S121 D134 L135 K136 | R116-A118 PolarHBondContact O-N 3Å; R116-A118 VanDerWaalsContact O-N 3.09Å; A118-K120 VanDerWaalsContact C-N 3.27Å; A118-S121 WeakPolarHBondContact CB-OG 3.21Å; A118-D134 HydrophobicContact CB-CB 3.94Å; A118-L135 CarbonylContact C-O 3.6Å; A118-L135 WeakPolarHBondContact CA-O 3.37Å; A118-L135 WeakPolarHBondContact CB-O 3.36Å; A118-K136 HydrophobicContact CB-CG 4.36Å | ||
| 119 | L | 87.5 | Confident | 71.2 | Confident | 69 Ų | 69 | 98 Ų | 98 | 36% | 0.361 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -63.9 | -39.2 | 171.4 | -62.5 | 174.7 | 0 | 0 | 0 | 110.2 | L96 L135 E137 R142 | L96-L119 HydrophobicContact CD1-CB 4.44Å; L96-L119 HydrophobicContact CD1-CD1 3.93Å; L119-L135 HydrophobicContact CB-CD2 4.36Å; L119-L135 HydrophobicContact CB-CG 4.36Å; L119-L135 HydrophobicContact CD1-CG 4.45Å; L119-L135 PolarHBondContact N-O 3.08Å; L119-E137 HydrophobicContact CD1-CB 4.04Å; L119-R142 HydrophobicContact CD1-CG 4.25Å |
| 120 | K | 91.1 | Very high | 72.7 | Confident | 45 Ų | 45 | 96.5 Ų | 96.5 | 20% | 0.196 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 139 | 171 | -179.5 | 172 | 174.4 | 169.9 | 0 | 108.7 | D88 F89 H92 A118 L135 | D88-K120 PolarHBondContact O-NZ 2.97Å; F89-K120 HydrophobicContact CD1-CB 4.16Å; F89-K120 HydrophobicContact CD1-CD 3.86Å; F89-K120 HydrophobicContact CD1-CG 4.05Å; F89-K120 HydrophobicContact CE1-CB 3.73Å; F89-K120 HydrophobicContact CE1-CD 3.85Å; F89-K120 HydrophobicContact CE1-CG 3.54Å; F89-K120 HydrophobicContact CZ-CG 4.24Å; H92-K120 HydrophobicContact CB-CD 3.91Å; A118-K120 VanDerWaalsContact C-N 3.27Å; K120-L135 HydrophobicContact CB-CB 4.33Å; K120-L135 PolarHBondContact O-N 3.34Å |
| 121 | S | 92.9 | Very high | 74.5 | Confident | 65 Ų | 65 | 94.9 Ų | 94.9 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.1 | 175.7 | -79.4 | 0 | 0 | 0 | 0 | 109.9 | A118 L133 D134 | A118-S121 WeakPolarHBondContact CB-OG 3.21Å; S121-L133 CarbonylContact C-O 3.46Å; S121-L133 VanDerWaalsContact CA-O 3.28Å; S121-L133 WeakPolarHBondContact CA-O 3.31Å; S121-D134 PolarHBondContact OG-OD1 3.07Å |
| 122 | E | 93.1 | Very high | 76.7 | Confident | 63 Ų | 63 | 89.1 Ų | 89.1 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 160.2 | 170.5 | -68 | -60.4 | 159 | 0 | 0 | 109.5 | Y85 F89 L133 | Y85-E122 HydrophobicContact CD1-CB 4.16Å; Y85-E122 HydrophobicContact CD1-CG 4.03Å; Y85-E122 HydrophobicContact CE1-CB 4.27Å; Y85-E122 HydrophobicContact CE1-CG 4.24Å; F89-E122 HydrophobicContact CE2-CB 4.02Å; F89-E122 HydrophobicContact CE2-CG 3.93Å; F89-E122 HydrophobicContact CZ-CB 3.93Å; F89-E122 HydrophobicContact CZ-CG 3.78Å; E122-L133 HydrophobicContact CB-CB 4.34Å; E122-L133 PolarHBondContact N-O 3.06Å; E122-L133 PolarHBondContact O-N 3.42Å |
| 123 | F | 90.7 | Very high | 79.3 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147 | 170.5 | 70.4 | -90 | 0 | 0 | 0 | 111.7 | V125 K130 Y131 Y132 | F123-V125 HydrophobicContact CD2-CG2 3.92Å; F123-V125 HydrophobicContact CE2-CG2 4.06Å; F123-K130 HydrophobicContact CD2-CD 4.49Å; F123-K130 VanDerWaalsContact CD2-CE 3.47Å; F123-Y131 CarbonylContact C-O 3.54Å; F123-Y131 WeakPolarHBondContact CA-O 3.35Å; F123-Y131 WeakPolarHBondContact CB-O 3.47Å; F123-Y132 HydrophobicContact CB-CD1 4.34Å |
| 124 | L | 87.4 | Confident | 81.8 | Confident | 8 Ų | 8 | 78.2 Ų | 78.2 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.6 | 175.5 | 170.3 | 68.4 | 0 | 0 | 0 | 109 | V78 E81 Y85 K130 Y131 | V78-L124 HydrophobicContact CB-CD2 4.3Å; V78-L124 HydrophobicContact CG1-CD2 3.66Å; V78-L124 HydrophobicContact CG2-CD2 4.29Å; E81-L124 HydrophobicContact CB-CD1 4.23Å; E81-L124 HydrophobicContact CB-CD2 4.17Å; E81-L124 WeakPolarHBondContact OE2-CD1 3.44Å; Y85-L124 HydrophobicContact CE2-CB 4.29Å; L124-K130 CarbonylContact O-C 3.46Å; L124-K130 WeakPolarHBondContact O-CA 3.3Å; L124-Y131 HydrophobicContact CD2-CD2 4.28Å; L124-Y131 HydrophobicContact CG-CD2 4.39Å; L124-Y131 PolarHBondContact N-O 2.82Å; L124-Y131 PolarHBondContact O-N 2.93Å |
| 125 | V | 85.8 | Confident | 84.5 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.7 | 173.8 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | F123 R129 K130 | F123-V125 HydrophobicContact CD2-CG2 3.92Å; F123-V125 HydrophobicContact CE2-CG2 4.06Å; V125-R129 WeakPolarHBondContact CA-O 3.25Å; V125-K130 HydrophobicContact CG2-CB 4.46Å; V125-K130 HydrophobicContact CG2-CD 4.07Å; V125-K130 HydrophobicContact CG2-CG 4.04Å |
| 126 | R | 82.3 | Confident | 86.8 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.7 | 173.1 | -166 | 77.1 | -175.2 | 179.6 | 1 | 109.1 | V78 N128 R129 | V78-R126 HydrophobicContact CG2-CB 3.65Å; V78-R126 HydrophobicContact CG2-CG 3.65Å; R126-N128 PolarHBondContact O-N 2.95Å; R126-R129 PolarHBondContact N-O 2.93Å; R126-R129 WeakPolarHBondContact O-CB 3.29Å; R126-R129 PolarHBondContact O-N 2.8Å; R126-R129 VanDerWaalsContact O-O 3.12Å |
| 127 | E | 79.3 | Confident | 88.1 | Confident | 165 Ų | 165 | 63.5 Ų | 63.5 | 77% | 0.771 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -119.9 | -175.9 | -58.5 | 169.6 | -172.2 | 0 | 0 | 111.4 | ||
| 128 | N | 80 | Confident | 88.8 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 18.8 | 176 | 79.5 | -25.2 | 0 | 0 | 0 | 113.4 | R126 V150 N151 | R126-N128 PolarHBondContact O-N 2.95Å; N128-V150 CarbonylContact O-C 3.56Å; N128-V150 WeakPolarHBondContact O-CA 2.99Å; N128-N151 PolarHBondContact O-N 2.87Å |
| 129 | R | 85.6 | Confident | 88.9 | Confident | 84 Ų | 84 | 61.1 Ų | 61.1 | 32% | 0.317 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.8 | -177.3 | -59.6 | -177.6 | -178.4 | -161.8 | 7.2 | 110.5 | V125 R126 Y131 T149 V150 | V125-R129 WeakPolarHBondContact CA-O 3.25Å; R126-R129 PolarHBondContact N-O 2.93Å; R126-R129 WeakPolarHBondContact O-CB 3.29Å; R126-R129 PolarHBondContact O-N 2.8Å; R126-R129 VanDerWaalsContact O-O 3.12Å; R129-Y131 HydrophobicContact CB-CE2 3.77Å; R129-Y131 WeakPolarHBondContact CD-OH 3.31Å; R129-T149 WeakPolarHBondContact CA-O 3.37Å; R129-V150 HydrophobicContact CG-CG1 3.98Å |
| 130 | K | 90.1 | Very high | 88.7 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.9 | 172 | -174.1 | 163.8 | 178.8 | -175.8 | 0 | 109.6 | F123 L124 V125 Y132 T149 | F123-K130 HydrophobicContact CD2-CD 4.49Å; F123-K130 VanDerWaalsContact CD2-CE 3.47Å; L124-K130 CarbonylContact O-C 3.46Å; L124-K130 WeakPolarHBondContact O-CA 3.3Å; V125-K130 HydrophobicContact CG2-CB 4.46Å; V125-K130 HydrophobicContact CG2-CD 4.07Å; V125-K130 HydrophobicContact CG2-CG 4.04Å; K130-Y132 HydrophobicContact CB-CE2 4.32Å; K130-Y132 HydrophobicContact CD-CE1 4.11Å; K130-Y132 HydrophobicContact CD-CE2 4.09Å; K130-Y132 VanDerWaalsContact CD-OH 3.3Å; K130-Y132 WeakPolarHBondContact CD-OH 3.48Å; K130-Y132 VanDerWaalsContact CE-CE1 3.45Å; K130-Y132 VanDerWaalsContact CE-CZ 3.47Å; K130-Y132 WeakPolarHBondContact CE-OH 3.49Å; K130-Y132 HydrophobicContact CG-CD2 4.37Å; K130-Y132 HydrophobicContact CG-CE1 4.38Å; K130-Y132 HydrophobicContact CG-CE2 3.83Å; K130-T149 PolarHBondContact N-O 3.24Å; K130-T149 PolarHBondContact O-N 2.88Å; K130-T149 PolarHBondContact O-OG1 3.2Å |
| 131 | Y | 92.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.1 | 177.4 | -60 | -92.5 | 0 | 0 | 0 | 108 | L72 T73 L74 V78 F123 L124 R129 R147 Q148 | L72-Y131 HydrophobicContact CD1-CD1 4.35Å; L72-Y131 HydrophobicContact CD1-CE1 4.12Å; T73-Y131 PolarHBondContact O-OH 3.44Å; L74-Y131 HydrophobicContact CD2-CD1 3.86Å; L74-Y131 HydrophobicContact CD2-CE1 3.28Å; V78-Y131 HydrophobicContact CG1-CD2 4.35Å; V78-Y131 HydrophobicContact CG1-CE2 4Å; V78-Y131 HydrophobicContact CG2-CE2 4.41Å; F123-Y131 CarbonylContact C-O 3.54Å; F123-Y131 WeakPolarHBondContact CA-O 3.35Å; F123-Y131 WeakPolarHBondContact CB-O 3.47Å; L124-Y131 HydrophobicContact CD2-CD2 4.28Å; L124-Y131 HydrophobicContact CG-CD2 4.39Å; L124-Y131 PolarHBondContact N-O 2.82Å; L124-Y131 PolarHBondContact O-N 2.93Å; R129-Y131 HydrophobicContact CB-CE2 3.77Å; R129-Y131 WeakPolarHBondContact CD-OH 3.31Å; Y131-R147 CarbonylContact C-O 3.55Å; Y131-R147 WeakPolarHBondContact CA-O 3.49Å; Y131-Q148 HydrophobicContact CD1-CB 3.75Å; Y131-Q148 HydrophobicContact CD1-CG 3.9Å; Y131-Q148 HydrophobicContact CE1-CB 3.69Å; Y131-Q148 HydrophobicContact CE1-CG 3.47Å; Y131-Q148 VanDerWaalsContact CE1-CG 3.47Å; Y131-Q148 PolarHBondContact OH-OE1 2.98Å |
| 132 | Y | 93.6 | Very high | 88.6 | Confident | 65 Ų | 65 | 62 Ų | 62 | 26% | 0.255 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.4 | 174.6 | -62.7 | -90.2 | 0 | 0 | 0 | 108.8 | F123 K130 I146 R147 T149 | F123-Y132 HydrophobicContact CB-CD1 4.34Å; K130-Y132 HydrophobicContact CB-CE2 4.32Å; K130-Y132 HydrophobicContact CD-CE1 4.11Å; K130-Y132 HydrophobicContact CD-CE2 4.09Å; K130-Y132 VanDerWaalsContact CD-OH 3.3Å; K130-Y132 WeakPolarHBondContact CD-OH 3.48Å; K130-Y132 VanDerWaalsContact CE-CE1 3.45Å; K130-Y132 VanDerWaalsContact CE-CZ 3.47Å; K130-Y132 WeakPolarHBondContact CE-OH 3.49Å; K130-Y132 HydrophobicContact CG-CD2 4.37Å; K130-Y132 HydrophobicContact CG-CE1 4.38Å; K130-Y132 HydrophobicContact CG-CE2 3.83Å; Y132-I146 CarbonylContact O-C 3.53Å; Y132-I146 VanDerWaalsContact O-CA 3.31Å; Y132-I146 WeakPolarHBondContact O-CA 3.39Å; Y132-R147 PolarHBondContact N-O 3.49Å; Y132-R147 PolarHBondContact O-N 2.89Å; Y132-T149 HydrophobicContact CD2-CG2 4.23Å; Y132-T149 HydrophobicContact CE2-CG2 3.93Å; Y132-T149 WeakPolarHBondContact CE2-OG1 3.33Å |
| 133 | L | 94.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 106.7 | -180 | -63.9 | 85.9 | 0 | 0 | 0 | 107.8 | F82 F89 S121 E122 L144 I146 | F82-L133 HydrophobicContact CD2-CD2 3.52Å; F82-L133 HydrophobicContact CE2-CD2 3.56Å; F89-L133 HydrophobicContact CE2-CB 3.77Å; F89-L133 HydrophobicContact CE2-CD2 4.02Å; F89-L133 HydrophobicContact CZ-CB 3.88Å; S121-L133 CarbonylContact C-O 3.46Å; S121-L133 VanDerWaalsContact CA-O 3.28Å; S121-L133 WeakPolarHBondContact CA-O 3.31Å; E122-L133 HydrophobicContact CB-CB 4.34Å; E122-L133 PolarHBondContact N-O 3.06Å; E122-L133 PolarHBondContact O-N 3.42Å; L133-L144 HydrophobicContact CB-CD1 4.34Å; L133-I146 HydrophobicContact CG-CG1 4.34Å |
| 134 | D | 94.4 | Very high | 88.9 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.3 | -177.9 | -58.1 | -45.4 | 0 | 0 | 0 | 110.1 | A118 S121 K136 R145 | A118-D134 HydrophobicContact CB-CB 3.94Å; S121-D134 PolarHBondContact OG-OD1 3.07Å; D134-K136 HydrophobicContact CB-CD 4.27Å; D134-K136 HydrophobicContact CB-CG 4Å; D134-K136 PolarHBondContact O-N 3.23Å; D134-K136 IonicContact OD2-NZ 3.47Å; D134-R145 PolarHBondContact N-O 2.91Å; D134-R145 PolarHBondContact O-N 3.36Å; D134-R145 IonicContact OD2-CZ 2.8Å; D134-R145 IonicContact OD2-NE 3.83Å; D134-R145 IonicContact OD2-NH2 3.24Å; D134-R145 PolarHBondContact OD2-NH2 2.93Å |
| 135 | L | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118.4 | 166.7 | -176.6 | 65.8 | 0 | 0 | 0 | 108.2 | F89 L96 A118 L119 K120 L144 A175 | F89-L135 HydrophobicContact CD1-CB 3.78Å; F89-L135 HydrophobicContact CD1-CD2 4.36Å; F89-L135 HydrophobicContact CE1-CB 3.78Å; L96-L135 HydrophobicContact CD1-CD2 4.05Å; A118-L135 CarbonylContact C-O 3.6Å; A118-L135 WeakPolarHBondContact CA-O 3.37Å; A118-L135 WeakPolarHBondContact CB-O 3.36Å; L119-L135 HydrophobicContact CB-CD2 4.36Å; L119-L135 HydrophobicContact CB-CG 4.36Å; L119-L135 HydrophobicContact CD1-CG 4.45Å; L119-L135 PolarHBondContact N-O 3.08Å; K120-L135 HydrophobicContact CB-CB 4.33Å; K120-L135 PolarHBondContact O-N 3.34Å; L135-L144 HydrophobicContact CB-CD1 4.19Å; L135-L144 HydrophobicContact CD1-CB 4.47Å; L135-A175 HydrophobicContact CD1-CB 4.44Å |
| 136 | K | 93 | Very high | 89.6 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 165.4 | -176.1 | -61.7 | -164.7 | 179.4 | -133.9 | 0 | 110.9 | R116 A118 D134 R142 F143 | R116-K136 PolarHBondContact O-NZ 2.9Å; A118-K136 HydrophobicContact CB-CG 4.36Å; D134-K136 HydrophobicContact CB-CD 4.27Å; D134-K136 HydrophobicContact CB-CG 4Å; D134-K136 PolarHBondContact O-N 3.23Å; D134-K136 IonicContact OD2-NZ 3.47Å; K136-R142 CarbonylContact O-C 3.51Å; K136-R142 VanDerWaalsContact O-CA 3.24Å; K136-R142 WeakPolarHBondContact O-CA 3.49Å; K136-F143 HydrophobicContact CB-CD1 4.4Å; K136-F143 HydrophobicContact CB-CE1 3.82Å; K136-F143 HydrophobicContact CB-CE2 4.2Å; K136-F143 HydrophobicContact CB-CZ 3.72Å; K136-F143 HydrophobicContact CD-CZ 4.44Å; K136-F143 PolarHBondContact N-O 3.47Å; K136-F143 PolarHBondContact O-N 3.41Å |
| 137 | E | 88.6 | Confident | 90 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.8 | 176.6 | -172.3 | 162.4 | 170.7 | 0 | 0 | 110.7 | S99 A107 L119 R142 | S99-E137 WeakPolarHBondContact CB-OE1 3.23Å; S99-E137 PolarHBondContact OG-OE1 2.79Å; S99-E137 PolarHBondContact OG-OE2 2.67Å; A107-E137 HydrophobicContact CB-CB 4.44Å; L119-E137 HydrophobicContact CD1-CB 4.04Å; E137-R142 HydrophobicContact CB-CG 4.07Å; E137-R142 HydrophobicContact CG-CG 3.88Å; E137-R142 IonicContact OE2-CZ 2.72Å; E137-R142 IonicContact OE2-NE 3.99Å; E137-R142 PolarHBondContact OE2-NE 3.43Å; E137-R142 IonicContact OE2-NH2 2.68Å |
| 138 | N | 84.7 | Confident | 90.5 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -179.4 | 171.9 | 65.8 | 22.9 | 0 | 0 | 0 | 110.1 | R140 G141 F143 | N138-R140 PolarHBondContact O-N 2.79Å; N138-R140 VanDerWaalsContact OD1-CA 3.31Å; N138-R140 WeakPolarHBondContact OD1-CA 3.34Å; N138-R140 VanDerWaalsContact OD1-CB 3.32Å; N138-R140 WeakPolarHBondContact OD1-CB 3.39Å; N138-R140 PolarHBondContact OD1-N 2.8Å; N138-G141 PolarHBondContact N-O 3.35Å; N138-G141 PolarHBondContact O-N 2.85Å; N138-G141 PolarHBondContact OD1-N 2.84Å; N138-G141 VanDerWaalsContact OD1-N 3.12Å; N138-G141 PolarHBondContact OD1-O 2.91Å; N138-F143 HydrophobicContact CB-CE1 4.08Å; N138-F143 VanDerWaalsContact ND2-CE1 3.25Å; N138-F143 WeakPolarHBondContact ND2-CE1 3.27Å |
| 139 | Q | 84.4 | Confident | 90.8 | Very high | 157 Ų | 157 | 44.3 Ų | 44.3 | 73% | 0.734 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -23.1 | 177 | -63.7 | 179.6 | -0.1 | 0 | 0 | 114.5 | I104 T108 | I104-Q139 HydrophobicContact CG2-CG 4.34Å; T108-Q139 HydrophobicContact CG2-CG 4.07Å |
| 140 | R | 84.1 | Confident | 90.4 | Very high | 154 Ų | 154 | 43.4 Ų | 43.4 | 58% | 0.581 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.7 | 178.3 | -61 | 176.7 | 57.6 | -165.5 | -7.9 | 112.7 | N42 N138 | N42-R140 PolarHBondContact ND2-NH2 2.79Å; N42-R140 PolarHBondContact OD1-NH2 3.05Å; N138-R140 PolarHBondContact O-N 2.79Å; N138-R140 VanDerWaalsContact OD1-CA 3.31Å; N138-R140 WeakPolarHBondContact OD1-CA 3.34Å; N138-R140 VanDerWaalsContact OD1-CB 3.32Å; N138-R140 WeakPolarHBondContact OD1-CB 3.39Å; N138-R140 PolarHBondContact OD1-N 2.8Å |
| 141 | G | 88.4 | Confident | 89 | Confident | 23 Ų | 23 | 46 Ų | 46 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.7 | -166.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | N138 | N138-G141 PolarHBondContact N-O 3.35Å; N138-G141 PolarHBondContact O-N 2.85Å; N138-G141 PolarHBondContact OD1-N 2.84Å; N138-G141 VanDerWaalsContact OD1-N 3.12Å; N138-G141 PolarHBondContact OD1-O 2.91Å |
| 142 | R | 92.5 | Very high | 87.4 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 142.8 | -178.6 | -58.8 | -174.6 | -170.4 | 138.8 | -3.4 | 111.4 | Y93 L96 G97 S99 L119 K136 E137 A175 | Y93-R142 HydrophobicContact CE2-CB 4.15Å; Y93-R142 HydrophobicContact CE2-CG 4.46Å; L96-R142 PolarHBondContact O-NH2 3.34Å; L96-R142 VanDerWaalsContact O-NH2 3.07Å; G97-R142 PolarHBondContact O-NH1 2.83Å; G97-R142 PolarHBondContact O-NH2 3.32Å; S99-R142 PolarHBondContact OG-NE 3.35Å; S99-R142 PolarHBondContact OG-NH2 3.25Å; L119-R142 HydrophobicContact CD1-CG 4.25Å; K136-R142 CarbonylContact O-C 3.51Å; K136-R142 VanDerWaalsContact O-CA 3.24Å; K136-R142 WeakPolarHBondContact O-CA 3.49Å; E137-R142 HydrophobicContact CB-CG 4.07Å; E137-R142 HydrophobicContact CG-CG 3.88Å; E137-R142 IonicContact OE2-CZ 2.72Å; E137-R142 IonicContact OE2-NE 3.99Å; E137-R142 PolarHBondContact OE2-NE 3.43Å; E137-R142 IonicContact OE2-NH2 2.68Å; R142-A175 HydrophobicContact CB-CB 3.83Å; R142-A175 WeakPolarHBondContact O-CB 3.12Å; R142-A175 PolarHBondContact O-N 2.81Å |
| 143 | F | 94.3 | Very high | 84.9 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.3 | 179.7 | 67.4 | -79.9 | 0 | 0 | 0 | 111.2 | K136 N138 R145 A172 L173 | K136-F143 HydrophobicContact CB-CD1 4.4Å; K136-F143 HydrophobicContact CB-CE1 3.82Å; K136-F143 HydrophobicContact CB-CE2 4.2Å; K136-F143 HydrophobicContact CB-CZ 3.72Å; K136-F143 HydrophobicContact CD-CZ 4.44Å; K136-F143 PolarHBondContact N-O 3.47Å; K136-F143 PolarHBondContact O-N 3.41Å; N138-F143 HydrophobicContact CB-CE1 4.08Å; N138-F143 VanDerWaalsContact ND2-CE1 3.25Å; N138-F143 WeakPolarHBondContact ND2-CE1 3.27Å; F143-R145 HydrophobicContact CD2-CB 4.32Å; F143-R145 HydrophobicContact CE2-CB 4.04Å; F143-A172 HydrophobicContact CD2-CB 3.97Å; F143-A172 HydrophobicContact CE2-CB 4.43Å; F143-L173 CarbonylContact C-O 3.57Å; F143-L173 VanDerWaalsContact CA-O 3.26Å; F143-L173 WeakPolarHBondContact CA-O 3.44Å; F143-L173 WeakPolarHBondContact CB-O 3.12Å |
| 144 | L | 95.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 116.8 | 172.1 | -175 | 65.5 | 0 | 0 | 0 | 109.2 | F82 L86 F89 L133 L135 I146 A172 L173 L178 | F82-L144 HydrophobicContact CE2-CD2 4.46Å; L86-L144 HydrophobicContact CD2-CD2 3.54Å; F89-L144 HydrophobicContact CD1-CD1 3.91Å; F89-L144 HydrophobicContact CD2-CD1 4.07Å; F89-L144 HydrophobicContact CD2-CD2 4.19Å; F89-L144 HydrophobicContact CE1-CD1 3.77Å; F89-L144 HydrophobicContact CE2-CD1 3.99Å; F89-L144 HydrophobicContact CG-CD1 4.06Å; F89-L144 HydrophobicContact CG-CD2 4.45Å; F89-L144 HydrophobicContact CZ-CD1 3.84Å; L133-L144 HydrophobicContact CB-CD1 4.34Å; L135-L144 HydrophobicContact CB-CD1 4.19Å; L135-L144 HydrophobicContact CD1-CB 4.47Å; L144-I146 HydrophobicContact CD2-CD1 4.28Å; L144-I146 HydrophobicContact CD2-CG1 4.35Å; L144-I146 HydrophobicContact CG-CD1 4.44Å; L144-I146 HydrophobicContact CG-CG1 4.22Å; L144-A172 CarbonylContact O-C 3.54Å; L144-A172 WeakPolarHBondContact O-CA 3.29Å; L144-L173 PolarHBondContact N-O 2.81Å; L144-L173 PolarHBondContact O-N 2.85Å; L144-L178 HydrophobicContact CB-CD2 3.89Å; L144-L178 HydrophobicContact CD2-CD2 3.72Å; L144-L178 HydrophobicContact CG-CD2 4.47Å |
| 145 | R | 94.1 | Very high | 79.8 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 25% | 0.253 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.2 | 174.6 | -173.7 | 180 | 67.1 | 170.4 | 5.2 | 109.5 | D134 F143 | D134-R145 PolarHBondContact N-O 2.91Å; D134-R145 PolarHBondContact O-N 3.36Å; D134-R145 IonicContact OD2-CZ 2.8Å; D134-R145 IonicContact OD2-NE 3.83Å; D134-R145 IonicContact OD2-NH2 3.24Å; D134-R145 PolarHBondContact OD2-NH2 2.93Å; F143-R145 HydrophobicContact CD2-CB 4.32Å; F143-R145 HydrophobicContact CE2-CB 4.04Å |
| 146 | I | 94 | Very high | 77.5 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.1 | 176.5 | -57.2 | 137.5 | 0 | 0 | 0 | 107.7 | L72 F82 Y132 L133 L144 T170 I171 | L72-I146 HydrophobicContact CD2-CB 4.26Å; L72-I146 HydrophobicContact CD2-CG2 3.5Å; L72-I146 VanDerWaalsContact CD2-CG2 3.5Å; F82-I146 HydrophobicContact CE1-CD1 4.25Å; F82-I146 HydrophobicContact CE2-CD1 3.79Å; F82-I146 HydrophobicContact CE2-CG1 4.1Å; F82-I146 HydrophobicContact CZ-CD1 3.32Å; F82-I146 HydrophobicContact CZ-CG1 4.11Å; Y132-I146 CarbonylContact O-C 3.53Å; Y132-I146 VanDerWaalsContact O-CA 3.31Å; Y132-I146 WeakPolarHBondContact O-CA 3.39Å; L133-I146 HydrophobicContact CG-CG1 4.34Å; L144-I146 HydrophobicContact CD2-CD1 4.28Å; L144-I146 HydrophobicContact CD2-CG1 4.35Å; L144-I146 HydrophobicContact CG-CD1 4.44Å; L144-I146 HydrophobicContact CG-CG1 4.22Å; I146-T170 CarbonylContact O-C 3.55Å; I146-T170 WeakPolarHBondContact O-CA 3.44Å; I146-T170 WeakPolarHBondContact O-CB 3.24Å; I146-T170 PolarHBondContact O-OG1 3.29Å; I146-I171 HydrophobicContact CB-CG1 3.96Å; I146-I171 HydrophobicContact CD1-CD1 3.88Å; I146-I171 HydrophobicContact CD1-CG1 3.9Å; I146-I171 PolarHBondContact N-O 2.9Å; I146-I171 PolarHBondContact O-N 3.45Å |
| 147 | R | 92.2 | Very high | 75.1 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 121.4 | -179.1 | -178.8 | 179.7 | 64.7 | 141.6 | 0.9 | 110.3 | Y131 Y132 T149 | Y131-R147 CarbonylContact C-O 3.55Å; Y131-R147 WeakPolarHBondContact CA-O 3.49Å; Y132-R147 PolarHBondContact N-O 3.49Å; Y132-R147 PolarHBondContact O-N 2.89Å; R147-T149 HydrophobicContact CG-CG2 4.4Å |
| 148 | Q | 89.6 | Confident | 72.7 | Confident | 16 Ų | 16 | 80.4 Ų | 80.4 | 8% | 0.075 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.4 | 170.8 | -177.5 | -170.9 | -46.1 | 0 | 0 | 110.4 | L72 T73 Y131 Q169 | L72-Q148 HydrophobicContact CD1-CB 3.63Å; T73-Q148 PolarHBondContact O-OE1 2.92Å; Y131-Q148 HydrophobicContact CD1-CB 3.75Å; Y131-Q148 HydrophobicContact CD1-CG 3.9Å; Y131-Q148 HydrophobicContact CE1-CB 3.69Å; Y131-Q148 HydrophobicContact CE1-CG 3.47Å; Y131-Q148 VanDerWaalsContact CE1-CG 3.47Å; Y131-Q148 PolarHBondContact OH-OE1 2.98Å; Q148-Q169 HydrophobicContact CB-CB 4.2Å; Q148-Q169 PolarHBondContact N-O 2.87Å |
| 149 | T | 84.8 | Confident | 70.5 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 24% | 0.239 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.9 | 167.8 | 63.5 | 0 | 0 | 0 | 0 | 109.3 | R129 K130 Y132 R147 | R129-T149 WeakPolarHBondContact CA-O 3.37Å; K130-T149 PolarHBondContact N-O 3.24Å; K130-T149 PolarHBondContact O-N 2.88Å; K130-T149 PolarHBondContact O-OG1 3.2Å; Y132-T149 HydrophobicContact CD2-CG2 4.23Å; Y132-T149 HydrophobicContact CE2-CG2 3.93Å; Y132-T149 WeakPolarHBondContact CE2-OG1 3.33Å; R147-T149 HydrophobicContact CG-CG2 4.4Å |
| 150 | V | 77.7 | Confident | 68.1 | Low | 65 Ų | 65 | 77.3 Ų | 77.3 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.9 | 168.5 | -95.5 | 0 | 0 | 0 | 0 | 108.3 | N128 R129 R152 | N128-V150 CarbonylContact O-C 3.56Å; N128-V150 WeakPolarHBondContact O-CA 2.99Å; R129-V150 HydrophobicContact CG-CG1 3.98Å; V150-R152 VanDerWaalsContact C-N 3.28Å; V150-R152 PolarHBondContact O-N 3.16Å |
| 151 | N | 60.7 | Low | 66.2 | Low | 100 Ų | 100 | 76.6 Ų | 76.6 | 54% | 0.535 | 48% | 0.481 | S | S | . | . | trans | -67.6 | 90.3 | 169.3 | -84.4 | 45.8 | 0 | 0 | 0 | 108 | N128 | N128-N151 PolarHBondContact O-N 2.87Š| ||
| 152 | R | 58.2 | Low | 64.1 | Low | 181 Ų | 181 | 82.3 Ų | 82.3 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | trans | -82.3 | 120.9 | 157.9 | -65.8 | -178 | -179.9 | 164.5 | -1.2 | 105.3 | V150 | V150-R152 VanDerWaalsContact C-N 3.28Å; V150-R152 PolarHBondContact O-N 3.16Å | ||
| 153 | G | 42.3 | Very low | 61.4 | Low | 52 Ų | 52 | 84.4 Ų | 84.4 | 54% | 0.536 | 54% | 0.539 | S | S | . | . | trans | -54.9 | 166.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G155 | G153-G155 PolarHBondContact O-N 3.33Š| ||
| 154 | P | 38.4 | Very low | 58.7 | Low | 146 Ų | 146 | 86.4 Ų | 86.4 | 95% | 0.948 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 108.2 | -178.9 | 7 | 5.7 | 0 | 0 | 0 | 108.7 | ||
| 155 | G | 43.4 | Very low | 56 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164 | -14.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G153 | G153-G155 PolarHBondContact O-N 3.33Š|
| 156 | F | 46.7 | Very low | 53.7 | Low | 193 Ų | 193 | 97.6 Ų | 97.6 | 85% | 0.846 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -112.6 | 37.1 | 178.4 | -82.3 | -83.6 | 0 | 0 | 0 | 113.5 | ||
| 157 | G | 42 | Very low | 51.5 | Low | 71 Ų | 71 | 101.7 Ų | 101.7 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | trans | -139.7 | 44.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 158 | V | 39.6 | Very low | 49.8 | Very low | 147 Ų | 147 | 99 Ų | 99 | 89% | 0.891 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -129 | 108.7 | 165.2 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 159 | G | 38.4 | Very low | 49.5 | Very low | 84 Ų | 84 | 101.1 Ų | 101.1 | 87% | 0.866 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 79.5 | 101.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 160 | G | 33.8 | Very low | 49.8 | Very low | 63 Ų | 63 | 101.5 Ų | 101.5 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | trans | 162.5 | 116.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V162 | G160-V162 PolarHBondContact O-N 3.07Š| ||
| 161 | P | 43.4 | Very low | 50.5 | Low | 139 Ų | 139 | 98.5 Ų | 98.5 | 90% | 0.903 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -80 | 52.8 | 177.6 | 35.3 | -34.1 | 0 | 0 | 0 | 111 | ||
| 162 | V | 43.9 | Very low | 52.1 | Low | 143 Ų | 143 | 94.6 Ų | 94.6 | 87% | 0.867 | 64% | 0.642 | S | S | * | * | trans | -150.7 | 86.7 | 174.3 | -168.4 | 0 | 0 | 0 | 0 | 108.3 | G160 | G160-V162 PolarHBondContact O-N 3.07Š| ||
| 163 | G | 36.1 | Very low | 53.8 | Low | 65 Ų | 65 | 86 Ų | 86 | 67% | 0.67 | 61% | 0.61 | S | S | * | * | trans | -160.2 | 86.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | M165 | G163-M165 VanDerWaalsContact C-N 3.29Å; G163-M165 PolarHBondContact O-N 3.26Å | ||
| 164 | G | 37.3 | Very low | 56.3 | Low | 81 Ų | 81 | 83.8 Ų | 83.8 | 84% | 0.835 | 59% | 0.586 | S | S | * | * | trans | -44.3 | 100.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L166 | G164-L166 PolarHBondContact O-N 3Š| ||
| 165 | M | 39.8 | Very low | 59 | Low | 168 Ų | 168 | 76.9 Ų | 76.9 | 83% | 0.828 | 54% | 0.541 | S | S | * | . | trans | -53.9 | 107 | 178.1 | -164.7 | 176.2 | -172.4 | 0 | 0 | 104.1 | G163 A167 | G163-M165 VanDerWaalsContact C-N 3.29Å; G163-M165 PolarHBondContact O-N 3.26Å; M165-A167 PolarHBondContact O-N 2.98Å | ||
| 166 | L | 44.9 | Very low | 61.4 | Low | 135 Ų | 135 | 78.2 Ų | 78.2 | 71% | 0.707 | 53% | 0.529 | S | S | * | . | trans | -52.4 | 102.6 | 163.7 | -75.2 | 168.1 | 0 | 0 | 0 | 103.5 | G164 G168 | G164-L166 PolarHBondContact O-N 3Å; L166-G168 PolarHBondContact O-N 3.26Å | ||
| 167 | A | 48.5 | Very low | 63.7 | Low | 89 Ų | 89 | 69 Ų | 69 | 74% | 0.736 | 49% | 0.489 | S | S | * | . | trans | -49.2 | 111.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | M165 Q169 | M165-A167 PolarHBondContact O-N 2.98Å; A167-Q169 PolarHBondContact O-N 2.97Å | ||
| 168 | G | 56.8 | Low | 66.2 | Low | 33 Ų | 33 | 65.7 Ų | 65.7 | 34% | 0.34 | 45% | 0.454 | S | S | . | . | trans | -51.3 | 135.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | L166 T170 | L166-G168 PolarHBondContact O-N 3.26Å; G168-T170 WeakPolarHBondContact O-CG2 3.48Å; G168-T170 PolarHBondContact O-N 3.44Å | ||
| 169 | Q | 83 | Confident | 68.9 | Low | 60 Ų | 60 | 62.8 Ų | 62.8 | 28% | 0.28 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 104.5 | 176.9 | -72.6 | -177.8 | 9.5 | 0 | 0 | 107.1 | R71 L72 Q148 A167 | R71-Q169 WeakPolarHBondContact O-CA 3.39Å; R71-Q169 WeakPolarHBondContact O-CB 3.5Å; L72-Q169 HydrophobicContact CD1-CB 4.13Å; Q148-Q169 HydrophobicContact CB-CB 4.2Å; Q148-Q169 PolarHBondContact N-O 2.87Å; A167-Q169 PolarHBondContact O-N 2.97Å |
| 170 | T | 90.1 | Very high | 71.7 | Confident | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 140.4 | -171.8 | -169 | 0 | 0 | 0 | 0 | 110.8 | S70 I146 G168 | S70-T170 WeakPolarHBondContact CB-O 3.44Å; S70-T170 PolarHBondContact OG-O 3.06Å; S70-T170 VanDerWaalsContact OG-O 3.08Å; I146-T170 CarbonylContact O-C 3.55Å; I146-T170 WeakPolarHBondContact O-CA 3.44Å; I146-T170 WeakPolarHBondContact O-CB 3.24Å; I146-T170 PolarHBondContact O-OG1 3.29Å; G168-T170 WeakPolarHBondContact O-CG2 3.48Å; G168-T170 PolarHBondContact O-N 3.44Å |
| 171 | I | 93.5 | Very high | 74.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.9 | 173 | 60.5 | 173.9 | 0 | 0 | 0 | 108.7 | I60 E62 L72 I146 | I60-I171 HydrophobicContact CB-CD1 4.38Å; I60-I171 HydrophobicContact CD1-CD1 4.39Å; I60-I171 HydrophobicContact CG2-CD1 3.73Å; E62-I171 HydrophobicContact CB-CB 4.41Å; E62-I171 HydrophobicContact CB-CG2 4.03Å; E62-I171 WeakPolarHBondContact OE2-CA 3.3Å; E62-I171 WeakPolarHBondContact OE2-CB 3.41Å; L72-I171 HydrophobicContact CB-CD1 4.34Å; L72-I171 HydrophobicContact CB-CG1 4.49Å; L72-I171 HydrophobicContact CB-CG2 4.14Å; L72-I171 HydrophobicContact CD2-CD1 3.9Å; L72-I171 HydrophobicContact CD2-CG1 4.09Å; I146-I171 HydrophobicContact CB-CG1 3.96Å; I146-I171 HydrophobicContact CD1-CD1 3.88Å; I146-I171 HydrophobicContact CD1-CG1 3.9Å; I146-I171 PolarHBondContact N-O 2.9Å; I146-I171 PolarHBondContact O-N 3.45Å |
| 172 | A | 93.8 | Very high | 77.3 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 101.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K43 E62 F143 L144 | K43-A172 PolarHBondContact NZ-O 2.89Å; E62-A172 PolarHBondContact OE2-N 3.41Å; F143-A172 HydrophobicContact CD2-CB 3.97Å; F143-A172 HydrophobicContact CE2-CB 4.43Å; L144-A172 CarbonylContact O-C 3.54Å; L144-A172 WeakPolarHBondContact O-CA 3.29Å |
| 173 | L | 94.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.5 | -177.2 | -178.5 | 59.8 | 0 | 0 | 0 | 110.1 | I40 F45 F143 L144 A175 L178 F181 | I40-L173 HydrophobicContact CD1-CD1 3.59Å; F45-L173 HydrophobicContact CD2-CD1 4.3Å; F45-L173 HydrophobicContact CE1-CD1 4.25Å; F45-L173 HydrophobicContact CE2-CD1 3.83Å; F45-L173 HydrophobicContact CZ-CB 4.48Å; F45-L173 HydrophobicContact CZ-CD1 3.81Å; F143-L173 CarbonylContact C-O 3.57Å; F143-L173 VanDerWaalsContact CA-O 3.26Å; F143-L173 WeakPolarHBondContact CA-O 3.44Å; F143-L173 WeakPolarHBondContact CB-O 3.12Å; L144-L173 PolarHBondContact N-O 2.81Å; L144-L173 PolarHBondContact O-N 2.85Å; L173-A175 PolarHBondContact O-N 3.23Å; L173-L178 HydrophobicContact CD2-CD2 3.58Å; L173-L178 HydrophobicContact CG-CD2 4.03Å; L173-F181 HydrophobicContact CD1-CB 4.25Å; L173-F181 HydrophobicContact CD1-CD2 3.67Å; L173-F181 HydrophobicContact CD1-CE2 4.38Å; L173-F181 HydrophobicContact CD1-CG 4.16Å; L173-F181 HydrophobicContact CD2-CB 3.7Å; L173-F181 HydrophobicContact CD2-CD1 3.98Å; L173-F181 HydrophobicContact CD2-CD2 3.79Å; L173-F181 HydrophobicContact CD2-CE2 4.44Å; L173-F181 HydrophobicContact CD2-CG 3.53Å; L173-F181 HydrophobicContact CG-CD2 4.41Å |
| 174 | P | 95.4 | Very high | 82.7 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 137.7 | 173.1 | -25.2 | 35.7 | 0 | 0 | 0 | 111.6 | I40 Q41 K43 Q176 G177 | I40-P174 HydrophobicContact CG2-CB 3.91Å; I40-P174 HydrophobicContact CG2-CG 3.87Å; Q41-P174 HydrophobicContact CG-CB 4.13Å; Q41-P174 HydrophobicContact CG-CG 4.31Å; K43-P174 HydrophobicContact CD-CG 4.36Å; P174-Q176 PolarHBondContact O-N 2.82Å; P174-G177 PolarHBondContact O-N 2.76Å |
| 175 | A | 94.4 | Very high | 85.4 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -59.7 | -32.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y93 L135 R142 L173 G177 L178 | Y93-A175 HydrophobicContact CD1-CB 4.43Å; Y93-A175 HydrophobicContact CD2-CB 3.8Å; Y93-A175 HydrophobicContact CE1-CB 4.24Å; Y93-A175 HydrophobicContact CE2-CB 3.6Å; Y93-A175 HydrophobicContact CG-CB 4.22Å; L135-A175 HydrophobicContact CD1-CB 4.44Å; R142-A175 HydrophobicContact CB-CB 3.83Å; R142-A175 WeakPolarHBondContact O-CB 3.12Å; R142-A175 PolarHBondContact O-N 2.81Å; L173-A175 PolarHBondContact O-N 3.23Å; A175-G177 PolarHBondContact O-N 2.85Å; A175-L178 HydrophobicContact CB-CD1 4.15Å; A175-L178 WeakPolarHBondContact O-CB 3.17Å; A175-L178 WeakPolarHBondContact O-CD1 3.5Å; A175-L178 VanDerWaalsContact O-CG 3.27Å; A175-L178 WeakPolarHBondContact O-CG 3.44Å; A175-L178 PolarHBondContact O-N 2.72Å |
| 176 | Q | 93.1 | Very high | 88 | Confident | 96 Ų | 96 | 41 Ų | 41 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -61.9 | -26.8 | 177.8 | -64.8 | 84.8 | -8.1 | 0 | 0 | 113.2 | Q41 P174 | Q41-Q176 VanDerWaalsContact NE2-CD 3.34Å; P174-Q176 PolarHBondContact O-N 2.82Å |
| 177 | G | 95.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -97.4 | 7.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P174 A175 I179 F181 | P174-G177 PolarHBondContact O-N 2.76Å; A175-G177 PolarHBondContact O-N 2.85Å; G177-I179 VanDerWaalsContact C-N 3.32Å; G177-I179 PolarHBondContact O-N 2.89Å; G177-F181 VanDerWaalsContact O-CB 3.25Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 2.83Å |
| 178 | L | 96.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | -177.8 | -70.7 | 170.3 | 0 | 0 | 0 | 112.3 | L86 I90 L144 L173 A175 F181 R182 | L86-L178 HydrophobicContact CD2-CD2 3.65Å; I90-L178 HydrophobicContact CD1-CB 4.15Å; I90-L178 HydrophobicContact CG1-CB 3.61Å; I90-L178 HydrophobicContact CG1-CD1 4.47Å; L144-L178 HydrophobicContact CB-CD2 3.89Å; L144-L178 HydrophobicContact CD2-CD2 3.72Å; L144-L178 HydrophobicContact CG-CD2 4.47Å; L173-L178 HydrophobicContact CD2-CD2 3.58Å; L173-L178 HydrophobicContact CG-CD2 4.03Å; A175-L178 HydrophobicContact CB-CD1 4.15Å; A175-L178 WeakPolarHBondContact O-CB 3.17Å; A175-L178 WeakPolarHBondContact O-CD1 3.5Å; A175-L178 VanDerWaalsContact O-CG 3.27Å; A175-L178 WeakPolarHBondContact O-CG 3.44Å; A175-L178 PolarHBondContact O-N 2.72Å; L178-F181 PolarHBondContact O-N 2.8Å; L178-R182 VanDerWaalsContact O-CB 3.28Å; L178-R182 WeakPolarHBondContact O-CB 3.43Å; L178-R182 PolarHBondContact O-N 3.38Å |
| 179 | I | 96.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 36.5 Ų | 36.5 | 44% | 0.436 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.3 | -53.2 | 179.6 | -62.2 | 172.4 | 0 | 0 | 0 | 110.1 | I90 G177 F181 R182 D183 | I90-I179 HydrophobicContact CD1-CB 4.48Å; I90-I179 HydrophobicContact CD1-CG1 3.88Å; I90-I179 HydrophobicContact CG1-CG1 4.06Å; I90-I179 HydrophobicContact CG2-CD1 4.17Å; I90-I179 HydrophobicContact CG2-CG1 3.83Å; G177-I179 VanDerWaalsContact C-N 3.32Å; G177-I179 PolarHBondContact O-N 2.89Å; I179-F181 VanDerWaalsContact C-N 3.26Å; I179-F181 PolarHBondContact O-N 3.15Å; I179-R182 WeakPolarHBondContact O-CB 3.42Å; I179-R182 PolarHBondContact O-N 3.05Å; I179-R182 VanDerWaalsContact O-N 3.16Å; I179-D183 VanDerWaalsContact O-CG 3.23Å; I179-D183 PolarHBondContact O-N 3.35Å |
| 180 | E | 97.1 | Very high | 94.6 | Very high | 109 Ų | 109 | 39.2 Ų | 39.2 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 178.2 | -66.2 | 178.3 | -165 | 0 | 0 | 112.1 | A184 | E180-A184 VanDerWaalsContact O-CB 3.25Å; E180-A184 WeakPolarHBondContact O-CB 3.35Å; E180-A184 PolarHBondContact O-N 3.29Å |
| 181 | F | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -44.4 | 177.5 | -162.7 | -76.1 | 0 | 0 | 0 | 111.7 | L38 I40 F45 L47 I60 F82 L86 L173 G177 L178 I179 L185 | L38-F181 HydrophobicContact CD1-CB 4.2Å; L38-F181 HydrophobicContact CD1-CD2 3.76Å; L38-F181 HydrophobicContact CD1-CE2 4.45Å; L38-F181 HydrophobicContact CD1-CG 4.21Å; I40-F181 HydrophobicContact CD1-CD2 4.47Å; F45-F181 HydrophobicContact CB-CE2 4.23Å; F45-F181 HydrophobicContact CD1-CE2 4.15Å; F45-F181 HydrophobicContact CG-CE2 4.26Å; L47-F181 HydrophobicContact CD1-CD2 4.48Å; L47-F181 HydrophobicContact CD1-CE2 3.81Å; L47-F181 HydrophobicContact CD1-CZ 4.12Å; L47-F181 HydrophobicContact CD2-CE1 4.28Å; L47-F181 HydrophobicContact CD2-CE2 4.39Å; L47-F181 HydrophobicContact CD2-CZ 4.04Å; L47-F181 HydrophobicContact CG-CE2 4.4Å; L47-F181 HydrophobicContact CG-CZ 4.21Å; I60-F181 HydrophobicContact CD1-CE1 4.43Å; I60-F181 HydrophobicContact CD1-CZ 3.99Å; I60-F181 HydrophobicContact CG1-CZ 4.35Å; I60-F181 HydrophobicContact CG2-CE2 4.2Å; I60-F181 HydrophobicContact CG2-CZ 3.9Å; F82-F181 HydrophobicContact CE1-CD1 4.48Å; F82-F181 AromaticContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CE1-CE1 3.79Å; F82-F181 HydrophobicContact CZ-CE1 4.35Å; L86-F181 HydrophobicContact CD1-CD1 3.86Å; L173-F181 HydrophobicContact CD1-CB 4.25Å; L173-F181 HydrophobicContact CD1-CD2 3.67Å; L173-F181 HydrophobicContact CD1-CE2 4.38Å; L173-F181 HydrophobicContact CD1-CG 4.16Å; L173-F181 HydrophobicContact CD2-CB 3.7Å; L173-F181 HydrophobicContact CD2-CD1 3.98Å; L173-F181 HydrophobicContact CD2-CD2 3.79Å; L173-F181 HydrophobicContact CD2-CE2 4.44Å; L173-F181 HydrophobicContact CD2-CG 3.53Å; L173-F181 HydrophobicContact CG-CD2 4.41Å; G177-F181 VanDerWaalsContact O-CB 3.25Å; G177-F181 WeakPolarHBondContact O-CB 3.44Å; G177-F181 PolarHBondContact O-N 2.83Å; L178-F181 PolarHBondContact O-N 2.8Å; I179-F181 VanDerWaalsContact C-N 3.26Å; I179-F181 PolarHBondContact O-N 3.15Å; F181-L185 VanDerWaalsContact O-CB 3.31Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 3.33Å |
| 182 | R | 96.4 | Very high | 94.4 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 28% | 0.275 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60 | -47.7 | 175.7 | -179.2 | -158.6 | 65.2 | -171.6 | -0.8 | 110.9 | R83 L86 I90 L178 I179 L185 A186 | R83-R182 HydrophobicContact CG-CG 4.1Å; L86-R182 HydrophobicContact CB-CB 4.11Å; L86-R182 HydrophobicContact CB-CG 4.18Å; L86-R182 HydrophobicContact CD1-CB 4.14Å; I90-R182 HydrophobicContact CD1-CB 4.15Å; L178-R182 VanDerWaalsContact O-CB 3.28Å; L178-R182 WeakPolarHBondContact O-CB 3.43Å; L178-R182 PolarHBondContact O-N 3.38Å; I179-R182 WeakPolarHBondContact O-CB 3.42Å; I179-R182 PolarHBondContact O-N 3.05Å; I179-R182 VanDerWaalsContact O-N 3.16Å; R182-L185 PolarHBondContact O-N 3.2Å; R182-A186 WeakPolarHBondContact O-CB 3.49Å; R182-A186 PolarHBondContact O-N 2.88Å |
| 183 | D | 96.8 | Very high | 93.7 | Very high | 76 Ų | 76 | 44.7 Ų | 44.7 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.2 | -38.6 | -176.4 | -64.3 | -9.5 | 0 | 0 | 0 | 111.2 | I179 K187 | I179-D183 VanDerWaalsContact O-CG 3.23Å; I179-D183 PolarHBondContact O-N 3.35Å; D183-K187 WeakPolarHBondContact O-CB 3.21Å; D183-K187 PolarHBondContact O-N 3.16Å |
| 184 | A | 96.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K36 L38 L47 E180 L188 | K36-A184 HydrophobicContact CG-CB 4.27Å; L38-A184 HydrophobicContact CD1-CB 3.89Å; L38-A184 HydrophobicContact CD2-CB 4.03Å; L38-A184 HydrophobicContact CG-CB 4.39Å; L47-A184 HydrophobicContact CD2-CB 4.49Å; E180-A184 VanDerWaalsContact O-CB 3.25Å; E180-A184 WeakPolarHBondContact O-CB 3.35Å; E180-A184 PolarHBondContact O-N 3.29Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.3Å; A184-L188 PolarHBondContact O-N 3.2Å; A184-L188 VanDerWaalsContact O-N 3.08Å |
| 185 | L | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 178.1 | -166 | 66 | 0 | 0 | 0 | 111.2 | L47 I58 A79 F82 R83 L86 F181 R182 K187 L188 I189 | L47-L185 HydrophobicContact CD2-CD1 4.29Å; I58-L185 HydrophobicContact CD1-CD1 3.68Å; A79-L185 HydrophobicContact CB-CD1 4.17Å; A79-L185 WeakPolarHBondContact O-CD2 3.36Å; F82-L185 HydrophobicContact CD1-CD2 3.6Å; F82-L185 HydrophobicContact CE1-CD2 4.14Å; F82-L185 HydrophobicContact CG-CD2 4.33Å; R83-L185 HydrophobicContact CB-CD2 4.09Å; L86-L185 HydrophobicContact CD1-CD2 4.35Å; F181-L185 VanDerWaalsContact O-CB 3.31Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 3.33Å; R182-L185 PolarHBondContact O-N 3.2Å; L185-K187 PolarHBondContact O-N 2.97Å; L185-L188 PolarHBondContact O-N 2.87Å; L185-I189 HydrophobicContact CG-CD1 3.87Å; L185-I189 WeakPolarHBondContact O-CD1 3.2Å; L185-I189 VanDerWaalsContact O-CG1 3.23Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 2.91Å |
| 186 | A | 94.8 | Very high | 88.2 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.7 | -50.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R83 R182 L188 I189 D190 | R83-A186 HydrophobicContact CG-CB 4.09Å; R182-A186 WeakPolarHBondContact O-CB 3.49Å; R182-A186 PolarHBondContact O-N 2.88Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 2.92Å; A186-I189 CarbonylContact O-C 3.56Å; A186-I189 PolarHBondContact O-N 2.82Å; A186-D190 PolarHBondContact O-N 3.36Å |
| 187 | K | 94 | Very high | 85.9 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.6 | -44.7 | 176.6 | -178.9 | 171.4 | -179 | 170.3 | 0 | 112.8 | D183 L185 I189 D190 D191 | D183-K187 WeakPolarHBondContact O-CB 3.21Å; D183-K187 PolarHBondContact O-N 3.16Å; L185-K187 PolarHBondContact O-N 2.97Å; K187-I189 VanDerWaalsContact C-N 3.28Å; K187-I189 PolarHBondContact O-N 3.32Å; K187-D190 PolarHBondContact O-N 3.48Å; K187-D191 WeakPolarHBondContact CE-OD2 3.25Å; K187-D191 WeakPolarHBondContact CG-OD2 3.49Å; K187-D191 VanDerWaalsContact O-CB 3.31Å; K187-D191 WeakPolarHBondContact O-CB 3.38Å; K187-D191 PolarHBondContact O-N 3.23Å |
| 188 | L | 93.3 | Very high | 83.3 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.2 | -31.6 | 178.1 | -68.7 | 174.6 | 0 | 0 | 0 | 112.3 | A34 K36 L47 V49 I58 A184 L185 A186 Y192 | A34-L188 HydrophobicContact CB-CD2 4.09Å; K36-L188 HydrophobicContact CB-CD1 4.25Å; L47-L188 HydrophobicContact CB-CD1 3.76Å; L47-L188 HydrophobicContact CD2-CD1 4.02Å; V49-L188 HydrophobicContact CG2-CB 4.05Å; V49-L188 HydrophobicContact CG2-CD1 4.07Å; V49-L188 HydrophobicContact CG2-CD2 3.81Å; V49-L188 HydrophobicContact CG2-CG 4.19Å; I58-L188 HydrophobicContact CD1-CB 4.42Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.3Å; A184-L188 PolarHBondContact O-N 3.2Å; A184-L188 VanDerWaalsContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 2.87Å; A186-L188 VanDerWaalsContact C-N 3.34Å; A186-L188 PolarHBondContact O-N 2.92Å; L188-Y192 HydrophobicContact CD2-CD2 4.38Å; L188-Y192 HydrophobicContact CD2-CE2 4.29Å; L188-Y192 WeakPolarHBondContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CD2 3.4Å; L188-Y192 PolarHBondContact O-N 2.82Å |
| 189 | I | 92.2 | Very high | 80.9 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.9 | -40.3 | 174.5 | -67.1 | 158.2 | 0 | 0 | 0 | 110.5 | A79 A80 R83 L185 A186 K187 G193 | A79-I189 HydrophobicContact CB-CD1 4.13Å; A79-I189 HydrophobicContact CB-CG1 4.34Å; A80-I189 HydrophobicContact CB-CD1 4.35Å; A80-I189 HydrophobicContact CB-CG2 4.47Å; R83-I189 HydrophobicContact CB-CD1 4.1Å; L185-I189 HydrophobicContact CG-CD1 3.87Å; L185-I189 WeakPolarHBondContact O-CD1 3.2Å; L185-I189 VanDerWaalsContact O-CG1 3.23Å; L185-I189 WeakPolarHBondContact O-CG1 3.29Å; L185-I189 PolarHBondContact O-N 2.91Å; A186-I189 CarbonylContact O-C 3.56Å; A186-I189 PolarHBondContact O-N 2.82Å; K187-I189 VanDerWaalsContact C-N 3.28Å; K187-I189 PolarHBondContact O-N 3.32Å; I189-G193 WeakPolarHBondContact O-CA 3.46Å; I189-G193 PolarHBondContact O-N 3.12Å |
| 190 | D | 91.4 | Very high | 78.5 | Confident | 117 Ų | 117 | 70.3 Ų | 70.3 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.2 | -40.7 | 178.1 | -61.3 | -22.1 | 0 | 0 | 0 | 110.6 | A186 K187 | A186-D190 PolarHBondContact O-N 3.36Å; K187-D190 PolarHBondContact O-N 3.48Å |
| 191 | D | 90.8 | Very high | 75.8 | Confident | 93 Ų | 93 | 68.5 Ų | 68.5 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -74 | -30.8 | -179.6 | -69.1 | -19 | 0 | 0 | 0 | 112.9 | K187 | K187-D191 WeakPolarHBondContact CE-OD2 3.25Å; K187-D191 WeakPolarHBondContact CG-OD2 3.49Å; K187-D191 VanDerWaalsContact O-CB 3.31Å; K187-D191 WeakPolarHBondContact O-CB 3.38Å; K187-D191 PolarHBondContact O-N 3.23Å |
| 192 | Y | 89 | Confident | 73 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 24% | 0.243 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -131.4 | -4.2 | -169.9 | -59.3 | -80.7 | 0 | 0 | 0 | 115.9 | L33 A34 V49 R56 L76 L188 | L33-Y192 HydrophobicContact CB-CD1 4.03Å; L33-Y192 HydrophobicContact CB-CE1 3.82Å; L33-Y192 HydrophobicContact CD1-CD1 4.03Å; L33-Y192 PolarHBondContact O-OH 3.49Å; A34-Y192 HydrophobicContact CB-CD2 4.35Å; A34-Y192 HydrophobicContact CB-CE2 3.49Å; A34-Y192 VanDerWaalsContact CB-CE2 3.49Å; V49-Y192 HydrophobicContact CG1-CD1 4.46Å; V49-Y192 HydrophobicContact CG1-CD2 4.38Å; V49-Y192 HydrophobicContact CG1-CG 4.01Å; V49-Y192 HydrophobicContact CG2-CD2 4.19Å; R56-Y192 VanDerWaalsContact CD-O 3.29Å; R56-Y192 WeakPolarHBondContact CD-O 3.31Å; R56-Y192 PolarHBondContact NH1-O 2.86Å; L76-Y192 WeakPolarHBondContact CD2-O 3.46Å; L188-Y192 HydrophobicContact CD2-CD2 4.38Å; L188-Y192 HydrophobicContact CD2-CE2 4.29Å; L188-Y192 WeakPolarHBondContact O-CB 3.25Å; L188-Y192 WeakPolarHBondContact O-CD2 3.4Å; L188-Y192 PolarHBondContact O-N 2.82Å |
| 193 | G | 78.6 | Confident | 70.3 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | trans | -93.6 | 5.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L76 I189 D195 | L76-G193 VanDerWaalsContact CD2-CA 3.49Å; I189-G193 WeakPolarHBondContact O-CA 3.46Å; I189-G193 PolarHBondContact O-N 3.12Å; G193-D195 PolarHBondContact O-N 3.32Å | ||
| 194 | G | 67.2 | Low | 67.5 | Low | 36 Ų | 36 | 75.4 Ų | 75.4 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -50.2 | 138.4 | 163 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 195 | D | 51.3 | Low | 64.9 | Low | 113 Ų | 113 | 79.8 Ų | 79.8 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | trans | -48.9 | 144.3 | -172.7 | -65.1 | -51.8 | 0 | 0 | 0 | 110.5 | G193 E197 E198 | G193-D195 PolarHBondContact O-N 3.32Å; D195-E197 HydrophobicContact CB-CB 3.71Å; D195-E197 PolarHBondContact O-N 2.92Å; D195-E198 PolarHBondContact O-N 2.93Å | ||
| 196 | D | 51.2 | Low | 62.1 | Low | 106 Ų | 106 | 83.4 Ų | 83.4 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -13.8 | 163.4 | -93.1 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 197 | E | 44.3 | Very low | 59.5 | Low | 156 Ų | 156 | 85.8 Ų | 85.8 | 73% | 0.729 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -25.6 | 175.8 | -155.2 | 167.9 | -170.8 | 0 | 0 | 115.3 | D195 T200 | D195-E197 HydrophobicContact CB-CB 3.71Å; D195-E197 PolarHBondContact O-N 2.92Å; E197-T200 PolarHBondContact O-OG1 3.35Å |
| 198 | E | 41.4 | Very low | 57.3 | Low | 150 Ų | 150 | 85.3 Ų | 85.3 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -20.1 | 175.3 | -152.6 | -178.4 | -177.6 | 0 | 0 | 111.9 | D195 G201 | D195-E198 PolarHBondContact O-N 2.93Å; E198-G201 PolarHBondContact O-N 3.27Å |
| 199 | L | 44.9 | Very low | 55.3 | Low | 82 Ų | 82 | 89.7 Ų | 89.7 | 43% | 0.429 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -9.7 | 174.4 | -106.6 | 85.9 | 0 | 0 | 0 | 114.9 | G201 | L199-G201 VanDerWaalsContact C-N 3.26Š|
| 200 | T | 45.6 | Very low | 53.9 | Low | 85 Ų | 85 | 97.5 Ų | 97.5 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -10.9 | 165.7 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | E197 | E197-T200 PolarHBondContact O-OG1 3.35Š|
| 201 | G | 40.3 | Very low | 53.3 | Low | 71 Ų | 71 | 94.3 Ų | 94.3 | 73% | 0.732 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -109 | -9.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | E198 L199 | E198-G201 PolarHBondContact O-N 3.27Å; L199-G201 VanDerWaalsContact C-N 3.26Å |
| 202 | G | 38.3 | Very low | 52.8 | Low | 47 Ų | 47 | 93.8 Ų | 93.8 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -140 | 90.7 | -166 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 203 | T | 39.7 | Very low | 52.2 | Low | 146 Ų | 146 | 99.8 Ų | 99.8 | 90% | 0.896 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 69.7 | 87.9 | 156.6 | 63.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 204 | A | 39.1 | Very low | 52.3 | Low | 101 Ų | 101 | 100.1 Ų | 100.1 | 84% | 0.835 | 63% | 0.632 | S | S | * | * | 170.4 | 122.7 | 106.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 205 | A | 40 | Very low | 53.2 | Low | 104 Ų | 104 | 102.5 Ų | 102.5 | 86% | 0.86 | 64% | 0.639 | S | S | * | * | trans | 71.7 | 83.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 206 | G | 36.5 | Very low | 55 | Low | 75 Ų | 75 | 99.6 Ų | 99.6 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | trans | 72.8 | 94.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 207 | G | 40.3 | Very low | 56.9 | Low | 65 Ų | 65 | 98.4 Ų | 98.4 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | S | Bend | 111.5 | -3.8 | 120.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||
| 208 | Y | 47.3 | Very low | 59.1 | Low | 127 Ų | 127 | 97 Ų | 97 | 50% | 0.498 | 62% | 0.616 | S | S | . | * | trans | -146.3 | 72.2 | 178.3 | -53.2 | -83.7 | 0 | 0 | 0 | 111.3 | E210 L211 V235 | Y208-E210 PolarHBondContact O-N 3.36Å; Y208-L211 HydrophobicContact CG-CD2 4.44Å; Y208-V235 HydrophobicContact CD2-CG2 3.4Å; Y208-V235 VanDerWaalsContact CD2-CG2 3.4Å; Y208-V235 HydrophobicContact CE2-CG2 3.93Å; Y208-V235 HydrophobicContact CG-CG2 3.79Å | ||
| 209 | S | 51.6 | Low | 61.4 | Low | 101 Ų | 101 | 93 Ų | 93 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -72.3 | -10.6 | 178.4 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 210 | E | 63.9 | Low | 63.5 | Low | 182 Ų | 182 | 96.3 Ų | 96.3 | 85% | 0.85 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -132.4 | 102 | 173.3 | -164.6 | 172.4 | -168.9 | 0 | 0 | 107.5 | Y208 | Y208-E210 PolarHBondContact O-N 3.36Š|
| 211 | L | 78.2 | Confident | 65.5 | Low | 50 Ų | 50 | 96.6 Ų | 96.6 | 26% | 0.262 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -87 | 142.8 | 172.2 | -65.8 | 176 | 0 | 0 | 0 | 108.6 | Y208 E213 V228 V235 | Y208-L211 HydrophobicContact CG-CD2 4.44Å; L211-E213 PolarHBondContact O-N 2.87Å; L211-V228 HydrophobicContact CB-CG1 4.12Å; L211-V228 HydrophobicContact CD1-CG1 4.38Å; L211-V228 HydrophobicContact CD2-CG1 3.98Å; L211-V228 HydrophobicContact CG-CG1 4.39Å; L211-V235 HydrophobicContact CD2-CG1 3.95Å; L211-V235 HydrophobicContact CD2-CG2 3.87Å |
| 212 | P | 79.8 | Confident | 67.9 | Low | 82 Ų | 82 | 96.1 Ų | 96.1 | 53% | 0.532 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 139.1 | 176.2 | -25.5 | 33.1 | 0 | 0 | 0 | 112.1 | G214 V228 | P212-G214 PolarHBondContact O-N 2.87Å; P212-V228 HydrophobicContact CB-CG2 4.31Å; P212-V228 HydrophobicContact CG-CG2 4.44Å |
| 213 | E | 76.6 | Confident | 70.5 | Confident | 188 Ų | 188 | 99 Ų | 99 | 88% | 0.879 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 135.6 | 174.3 | -166.3 | 179.9 | 175.1 | 0 | 0 | 110 | L211 | L211-E213 PolarHBondContact O-N 2.87Š|
| 214 | G | 81.8 | Confident | 73.2 | Confident | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 141.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P212 F226 | P212-G214 PolarHBondContact O-N 2.87Å; G214-F226 CarbonylContact C-O 3.54Å; G214-F226 WeakPolarHBondContact CA-O 3.25Å |
| 215 | T | 85.4 | Confident | 75.8 | Confident | 85 Ų | 85 | 92.4 Ų | 92.4 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 159 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | F226 | T215-F226 HydrophobicContact CG2-CB 3.85Å; T215-F226 HydrophobicContact CG2-CD2 4.11Å; T215-F226 HydrophobicContact CG2-CG 4.27Å; T215-F226 PolarHBondContact N-O 2.62Å; T215-F226 PolarHBondContact O-N 2.79Å |
| 216 | S | 89.9 | Confident | 78.4 | Confident | 53 Ų | 53 | 90.7 Ų | 90.7 | 37% | 0.371 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.1 | 172.8 | 75.8 | 0 | 0 | 0 | 0 | 111.8 | F224 | S216-F224 CarbonylContact C-O 3.52Å; S216-F224 WeakPolarHBondContact CA-O 3.14Å; S216-F224 WeakPolarHBondContact CB-O 3.48Å |
| 217 | I | 90.6 | Very high | 81 | Confident | 80 Ų | 80 | 89 Ų | 89 | 41% | 0.41 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.4 | 175.8 | 65.8 | -177.2 | 0 | 0 | 0 | 109.3 | V219 R223 F224 F226 | I217-V219 HydrophobicContact CD1-CG2 4.43Å; I217-V219 HydrophobicContact CG1-CG2 4.43Å; I217-R223 WeakPolarHBondContact O-CA 3.47Å; I217-F224 HydrophobicContact CD1-CB 4.43Å; I217-F224 HydrophobicContact CG1-CB 3.87Å; I217-F224 HydrophobicContact CG1-CD2 4.38Å; I217-F224 PolarHBondContact N-O 2.85Å; I217-F224 PolarHBondContact O-N 3.27Å; I217-F226 HydrophobicContact CD1-CE2 3.87Å; I217-F226 HydrophobicContact CD1-CZ 4.25Å; I217-F226 HydrophobicContact CG1-CE2 3.99Å |
| 218 | M | 90.8 | Very high | 83.4 | Confident | 127 Ų | 127 | 87.4 Ų | 87.4 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.5 | 173.1 | -175.2 | 170.3 | -77.3 | 0 | 0 | 108.8 | K222 | M218-K222 WeakPolarHBondContact CA-O 3.33Å |
| 219 | V | 89.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 82 Ų | 82 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 117.5 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | I217 S221 K222 F224 | I217-V219 HydrophobicContact CD1-CG2 4.43Å; I217-V219 HydrophobicContact CG1-CG2 4.43Å; V219-S221 PolarHBondContact O-N 2.85Å; V219-K222 PolarHBondContact N-O 2.86Å; V219-K222 WeakPolarHBondContact O-CA 3.45Å; V219-K222 WeakPolarHBondContact O-CB 3.28Å; V219-K222 PolarHBondContact O-N 2.83Å; V219-K222 VanDerWaalsContact O-O 3.05Å; V219-F224 HydrophobicContact CB-CE2 4.23Å; V219-F224 HydrophobicContact CG2-CD2 4.36Å; V219-F224 HydrophobicContact CG2-CE2 4.43Å |
| 220 | D | 88.9 | Confident | 86.7 | Confident | 150 Ų | 150 | 80.4 Ų | 80.4 | 80% | 0.802 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | -123.2 | -172.4 | -52.2 | -42 | 0 | 0 | 0 | 112.5 | K222 | D220-K222 VanDerWaalsContact C-N 3.33Š|
| 221 | S | 86.6 | Confident | 87.3 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 64% | 0.643 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 8.5 | 176.3 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | V219 | V219-S221 PolarHBondContact O-N 2.85Š|
| 222 | K | 91.6 | Very high | 87.2 | Confident | 61 Ų | 61 | 81.3 Ų | 81.3 | 27% | 0.265 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.9 | -176 | -55.6 | -179.6 | -176.3 | -154.4 | 0 | 110.9 | M218 V219 D220 F224 E241 V242 K243 | M218-K222 WeakPolarHBondContact CA-O 3.33Å; V219-K222 PolarHBondContact N-O 2.86Å; V219-K222 WeakPolarHBondContact O-CA 3.45Å; V219-K222 WeakPolarHBondContact O-CB 3.28Å; V219-K222 PolarHBondContact O-N 2.83Å; V219-K222 VanDerWaalsContact O-O 3.05Å; D220-K222 VanDerWaalsContact C-N 3.33Å; K222-F224 HydrophobicContact CB-CE2 3.97Å; K222-F224 HydrophobicContact CB-CZ 4.37Å; K222-F224 HydrophobicContact CD-CE2 4.25Å; K222-F224 HydrophobicContact CD-CZ 3.98Å; K222-E241 HydrophobicContact CD-CG 4.2Å; K222-E241 VanDerWaalsContact CD-OE1 3.25Å; K222-E241 WeakPolarHBondContact CD-OE1 3.42Å; K222-E241 WeakPolarHBondContact CE-OE1 3.49Å; K222-E241 IonicContact NZ-OE1 3.54Å; K222-E241 PolarHBondContact NZ-OE1 3.08Å; K222-E241 IonicContact NZ-OE2 2.96Å; K222-V242 WeakPolarHBondContact CA-O 3.27Å; K222-K243 HydrophobicContact CG-CD 4.48Å; K222-K243 HydrophobicContact CG-CG 4.03Å |
| 223 | R | 92.9 | Very high | 87.1 | Confident | 107 Ų | 107 | 86.5 Ų | 86.5 | 40% | 0.404 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.9 | 167.2 | -168 | -177.8 | -67.8 | -156.5 | 2.9 | 109.5 | I217 F225 V242 | I217-R223 WeakPolarHBondContact O-CA 3.47Å; R223-F225 HydrophobicContact CB-CE2 4.15Å; R223-F225 VanDerWaalsContact CD-CE2 3.46Å; R223-F225 HydrophobicContact CG-CD2 4.28Å; R223-F225 HydrophobicContact CG-CE2 3.77Å; R223-F225 HydrophobicContact CG-CZ 4.04Å; R223-V242 PolarHBondContact N-O 3.07Å; R223-V242 PolarHBondContact O-N 3.19Å |
| 224 | F | 95.8 | Very high | 87.4 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 22% | 0.219 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128 | 173.5 | -63.2 | -88.4 | 0 | 0 | 0 | 109.3 | S216 I217 V219 K222 F226 S240 E241 | S216-F224 CarbonylContact C-O 3.52Å; S216-F224 WeakPolarHBondContact CA-O 3.14Å; S216-F224 WeakPolarHBondContact CB-O 3.48Å; I217-F224 HydrophobicContact CD1-CB 4.43Å; I217-F224 HydrophobicContact CG1-CB 3.87Å; I217-F224 HydrophobicContact CG1-CD2 4.38Å; I217-F224 PolarHBondContact N-O 2.85Å; I217-F224 PolarHBondContact O-N 3.27Å; V219-F224 HydrophobicContact CB-CE2 4.23Å; V219-F224 HydrophobicContact CG2-CD2 4.36Å; V219-F224 HydrophobicContact CG2-CE2 4.43Å; K222-F224 HydrophobicContact CB-CE2 3.97Å; K222-F224 HydrophobicContact CB-CZ 4.37Å; K222-F224 HydrophobicContact CD-CE2 4.25Å; K222-F224 HydrophobicContact CD-CZ 3.98Å; F224-F226 HydrophobicContact CB-CE2 3.94Å; F224-F226 HydrophobicContact CB-CZ 4.38Å; F224-S240 CarbonylContact C-O 3.47Å; F224-S240 VanDerWaalsContact CA-O 3.25Å; F224-S240 WeakPolarHBondContact CA-O 3.28Å; F224-E241 HydrophobicContact CD1-CB 4.02Å; F224-E241 HydrophobicContact CD1-CG 4.35Å; F224-E241 HydrophobicContact CE1-CB 3.73Å; F224-E241 HydrophobicContact CE1-CG 3.73Å; F224-E241 HydrophobicContact CZ-CG 4.1Å |
| 225 | F | 93 | Very high | 87.7 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 26% | 0.259 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.5 | 174.2 | -65.4 | -96.6 | 0 | 0 | 0 | 109.7 | R223 V239 S240 V242 | R223-F225 HydrophobicContact CB-CE2 4.15Å; R223-F225 VanDerWaalsContact CD-CE2 3.46Å; R223-F225 HydrophobicContact CG-CD2 4.28Å; R223-F225 HydrophobicContact CG-CE2 3.77Å; R223-F225 HydrophobicContact CG-CZ 4.04Å; F225-V239 CarbonylContact O-C 3.54Å; F225-V239 VanDerWaalsContact O-CA 3.29Å; F225-V239 WeakPolarHBondContact O-CA 3.39Å; F225-S240 PolarHBondContact N-O 2.73Å; F225-S240 PolarHBondContact O-N 2.88Å; F225-V242 HydrophobicContact CD2-CB 4.48Å; F225-V242 HydrophobicContact CD2-CG2 3.69Å; F225-V242 HydrophobicContact CE2-CB 4.1Å; F225-V242 HydrophobicContact CE2-CG2 3.63Å |
| 226 | F | 95.2 | Very high | 88 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 91.1 | 177.5 | -62.2 | -94.9 | 0 | 0 | 0 | 107.5 | G214 T215 I217 F224 L237 V239 | G214-F226 CarbonylContact C-O 3.54Å; G214-F226 WeakPolarHBondContact CA-O 3.25Å; T215-F226 HydrophobicContact CG2-CB 3.85Å; T215-F226 HydrophobicContact CG2-CD2 4.11Å; T215-F226 HydrophobicContact CG2-CG 4.27Å; T215-F226 PolarHBondContact N-O 2.62Å; T215-F226 PolarHBondContact O-N 2.79Å; I217-F226 HydrophobicContact CD1-CE2 3.87Å; I217-F226 HydrophobicContact CD1-CZ 4.25Å; I217-F226 HydrophobicContact CG1-CE2 3.99Å; F224-F226 HydrophobicContact CB-CE2 3.94Å; F224-F226 HydrophobicContact CB-CZ 4.38Å; F226-L237 HydrophobicContact CB-CD1 4.18Å; F226-V239 HydrophobicContact CD1-CG1 4.21Å; F226-V239 HydrophobicContact CD1-CG2 3.91Å; F226-V239 HydrophobicContact CE1-CG1 3.89Å; F226-V239 HydrophobicContact CE1-CG2 4.13Å; F226-V239 HydrophobicContact CZ-CG1 4.37Å |
| 227 | D | 91.1 | Very high | 88.2 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 21% | 0.214 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.4 | -176.9 | -49.4 | -45.3 | 0 | 0 | 0 | 109.5 | R238 | D227-R238 HydrophobicContact CB-CB 4.41Å; D227-R238 PolarHBondContact N-O 2.68Å; D227-R238 PolarHBondContact O-N 3.38Å; D227-R238 IonicContact OD2-CZ 3.75Å; D227-R238 IonicContact OD2-NE 3.87Å; D227-R238 PolarHBondContact OD2-NE 3.27Å; D227-R238 IonicContact OD2-NH2 2.81Å; D227-R238 PolarHBondContact OD2-NH2 2.86Å |
| 228 | V | 89.9 | Confident | 88.4 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128.8 | 166.5 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | L211 P212 V235 F236 L237 W257 | L211-V228 HydrophobicContact CB-CG1 4.12Å; L211-V228 HydrophobicContact CD1-CG1 4.38Å; L211-V228 HydrophobicContact CD2-CG1 3.98Å; L211-V228 HydrophobicContact CG-CG1 4.39Å; P212-V228 HydrophobicContact CB-CG2 4.31Å; P212-V228 HydrophobicContact CG-CG2 4.44Å; V228-V235 HydrophobicContact CG1-CG1 3.74Å; V228-F236 WeakPolarHBondContact CA-O 3.1Å; V228-L237 HydrophobicContact CG2-CD1 4.14Å; V228-W257 HydrophobicContact CB-CH2 4.45Å; V228-W257 HydrophobicContact CG1-CH2 3.71Å; V228-W257 HydrophobicContact CG1-CZ2 4.19Å; V228-W257 HydrophobicContact CG2-CH2 3.87Å; V228-W257 HydrophobicContact CG2-CZ2 4.45Å |
| 229 | G | 85.8 | Confident | 88.6 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 162.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V235 F236 | G229-V235 CarbonylContact O-C 3.55Å; G229-V235 WeakPolarHBondContact O-CA 3.28Å; G229-F236 PolarHBondContact N-O 2.84Å; G229-F236 WeakPolarHBondContact O-CD1 3.44Å; G229-F236 PolarHBondContact O-N 2.96Å |
| 230 | S | 84.1 | Confident | 88.8 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 149.4 | 168.3 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 231 | N | 76.7 | Confident | 89 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | -177.1 | 168.5 | 64 | 29.7 | 0 | 0 | 0 | 108.6 | Y233 G234 F236 | N231-Y233 PolarHBondContact O-N 3.49Å; N231-Y233 WeakPolarHBondContact OD1-CA 3.23Å; N231-Y233 VanDerWaalsContact OD1-CB 3.28Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.37Å; N231-Y233 PolarHBondContact OD1-N 2.87Å; N231-G234 PolarHBondContact N-O 3.17Å; N231-G234 PolarHBondContact O-N 2.82Å; N231-G234 PolarHBondContact OD1-N 3.42Å; N231-G234 PolarHBondContact OD1-O 3.24Å; N231-F236 HydrophobicContact CB-CE1 4.09Å |
| 232 | K | 76.1 | Confident | 89.2 | Confident | 178 Ų | 178 | 55.8 Ų | 55.8 | 77% | 0.774 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.9 | 178.4 | 70 | -176.9 | -176.3 | -178.9 | 0 | 115.2 | ||
| 233 | Y | 76.6 | Confident | 89.1 | Confident | 191 Ų | 191 | 56.4 Ų | 56.4 | 75% | 0.749 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -1.6 | 177.9 | -56.3 | -74 | 0 | 0 | 0 | 113.1 | N231 | N231-Y233 PolarHBondContact O-N 3.49Å; N231-Y233 WeakPolarHBondContact OD1-CA 3.23Å; N231-Y233 VanDerWaalsContact OD1-CB 3.28Å; N231-Y233 WeakPolarHBondContact OD1-CB 3.37Å; N231-Y233 PolarHBondContact OD1-N 2.87Å |
| 234 | G | 82.9 | Confident | 88.4 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.5 | -167.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N231 | N231-G234 PolarHBondContact N-O 3.17Å; N231-G234 PolarHBondContact O-N 2.82Å; N231-G234 PolarHBondContact OD1-N 3.42Å; N231-G234 PolarHBondContact OD1-O 3.24Å |
| 235 | V | 88.8 | Confident | 87.7 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 142.3 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | Y208 L211 V228 G229 F254 W257 | Y208-V235 HydrophobicContact CD2-CG2 3.4Å; Y208-V235 VanDerWaalsContact CD2-CG2 3.4Å; Y208-V235 HydrophobicContact CE2-CG2 3.93Å; Y208-V235 HydrophobicContact CG-CG2 3.79Å; L211-V235 HydrophobicContact CD2-CG1 3.95Å; L211-V235 HydrophobicContact CD2-CG2 3.87Å; V228-V235 HydrophobicContact CG1-CG1 3.74Å; G229-V235 CarbonylContact O-C 3.55Å; G229-V235 WeakPolarHBondContact O-CA 3.28Å; V235-F254 HydrophobicContact CB-CB 4.02Å; V235-F254 HydrophobicContact CB-CG 4.43Å; V235-F254 HydrophobicContact CG1-CB 4.4Å; V235-F254 HydrophobicContact CG1-CD2 4.39Å; V235-F254 VanDerWaalsContact O-CB 3.23Å; V235-F254 WeakPolarHBondContact O-CB 3.18Å; V235-F254 PolarHBondContact O-N 2.86Å; V235-W257 HydrophobicContact CG1-CH2 3.93Å; V235-W257 HydrophobicContact CG1-CZ2 3.96Å |
| 236 | F | 91.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 63 Ų | 63 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.4 | 177.4 | 65.6 | -92.5 | 0 | 0 | 0 | 111.8 | V228 G229 N231 R238 T251 I252 | V228-F236 WeakPolarHBondContact CA-O 3.1Å; G229-F236 PolarHBondContact N-O 2.84Å; G229-F236 WeakPolarHBondContact O-CD1 3.44Å; G229-F236 PolarHBondContact O-N 2.96Å; N231-F236 HydrophobicContact CB-CE1 4.09Å; F236-R238 HydrophobicContact CD2-CB 4.33Å; F236-R238 HydrophobicContact CE2-CB 4.14Å; F236-T251 HydrophobicContact CB-CG2 3.79Å; F236-T251 HydrophobicContact CD2-CG2 3.58Å; F236-T251 HydrophobicContact CE2-CG2 4.36Å; F236-T251 HydrophobicContact CG-CG2 3.79Å; F236-I252 CarbonylContact C-O 3.53Å; F236-I252 VanDerWaalsContact CA-O 3.31Å; F236-I252 WeakPolarHBondContact CA-O 3.31Å |
| 237 | L | 94.1 | Very high | 86.8 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.2 | 171.1 | 175.3 | 65.7 | 0 | 0 | 0 | 107.8 | F226 V228 V239 I252 W257 | F226-L237 HydrophobicContact CB-CD1 4.18Å; V228-L237 HydrophobicContact CG2-CD1 4.14Å; L237-V239 HydrophobicContact CD2-CG2 4.05Å; L237-V239 HydrophobicContact CG-CG2 4.01Å; L237-I252 HydrophobicContact CD2-CD1 4.49Å; L237-I252 PolarHBondContact N-O 2.74Å; L237-I252 PolarHBondContact O-N 2.82Å; L237-W257 HydrophobicContact CB-CZ2 3.62Å |
| 238 | R | 94.4 | Very high | 86.9 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115 | 172.1 | -173.6 | 176.9 | 65.4 | -161.1 | -8.4 | 109.4 | D227 F236 I250 | D227-R238 HydrophobicContact CB-CB 4.41Å; D227-R238 PolarHBondContact N-O 2.68Å; D227-R238 PolarHBondContact O-N 3.38Å; D227-R238 IonicContact OD2-CZ 3.75Å; D227-R238 IonicContact OD2-NE 3.87Å; D227-R238 PolarHBondContact OD2-NE 3.27Å; D227-R238 IonicContact OD2-NH2 2.81Å; D227-R238 PolarHBondContact OD2-NH2 2.86Å; F236-R238 HydrophobicContact CD2-CB 4.33Å; F236-R238 HydrophobicContact CE2-CB 4.14Å; R238-I250 WeakPolarHBondContact CA-O 3.43Å |
| 239 | V | 94.4 | Very high | 87 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.8 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | F225 F226 L237 S249 I250 I252 | F225-V239 CarbonylContact O-C 3.54Å; F225-V239 VanDerWaalsContact O-CA 3.29Å; F225-V239 WeakPolarHBondContact O-CA 3.39Å; F226-V239 HydrophobicContact CD1-CG1 4.21Å; F226-V239 HydrophobicContact CD1-CG2 3.91Å; F226-V239 HydrophobicContact CE1-CG1 3.89Å; F226-V239 HydrophobicContact CE1-CG2 4.13Å; F226-V239 HydrophobicContact CZ-CG1 4.37Å; L237-V239 HydrophobicContact CD2-CG2 4.05Å; L237-V239 HydrophobicContact CG-CG2 4.01Å; V239-S249 CarbonylContact O-C 3.55Å; V239-S249 WeakPolarHBondContact O-CA 3.43Å; V239-S249 WeakPolarHBondContact O-CB 3.5Å; V239-I250 HydrophobicContact CB-CD1 4.46Å; V239-I250 HydrophobicContact CB-CG1 3.95Å; V239-I250 PolarHBondContact N-O 3.25Å; V239-I250 PolarHBondContact O-N 2.88Å; V239-I252 HydrophobicContact CG2-CD1 4.07Å |
| 240 | S | 94.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.3 | -177.1 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | F224 F225 R247 N248 S249 | F224-S240 CarbonylContact C-O 3.47Å; F224-S240 VanDerWaalsContact CA-O 3.25Å; F224-S240 WeakPolarHBondContact CA-O 3.28Å; F225-S240 PolarHBondContact N-O 2.73Å; F225-S240 PolarHBondContact O-N 2.88Å; S240-R247 PolarHBondContact OG-NH2 2.81Å; S240-N248 CarbonylContact C-O 3.5Å; S240-N248 VanDerWaalsContact CA-O 3.3Å; S240-N248 WeakPolarHBondContact CA-O 3.35Å; S240-S249 WeakPolarHBondContact OG-CB 3.45Å |
| 241 | E | 92.9 | Very high | 87.9 | Confident | 43 Ų | 43 | 72 Ų | 72 | 20% | 0.201 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124.6 | 166.6 | -179.1 | -176.1 | 161 | 0 | 0 | 109.4 | K222 F224 R247 N248 | K222-E241 HydrophobicContact CD-CG 4.2Å; K222-E241 VanDerWaalsContact CD-OE1 3.25Å; K222-E241 WeakPolarHBondContact CD-OE1 3.42Å; K222-E241 WeakPolarHBondContact CE-OE1 3.49Å; K222-E241 IonicContact NZ-OE1 3.54Å; K222-E241 PolarHBondContact NZ-OE1 3.08Å; K222-E241 IonicContact NZ-OE2 2.96Å; F224-E241 HydrophobicContact CD1-CB 4.02Å; F224-E241 HydrophobicContact CD1-CG 4.35Å; F224-E241 HydrophobicContact CE1-CB 3.73Å; F224-E241 HydrophobicContact CE1-CG 3.73Å; F224-E241 HydrophobicContact CZ-CG 4.1Å; E241-R247 WeakPolarHBondContact O-CA 3.23Å; E241-N248 PolarHBondContact N-O 2.99Å; E241-N248 PolarHBondContact O-N 2.76Å |
| 242 | V | 90.9 | Very high | 88.7 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 24% | 0.242 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.6 | -179.2 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | K222 R223 F225 R247 | K222-V242 WeakPolarHBondContact CA-O 3.27Å; R223-V242 PolarHBondContact N-O 3.07Å; R223-V242 PolarHBondContact O-N 3.19Å; F225-V242 HydrophobicContact CD2-CB 4.48Å; F225-V242 HydrophobicContact CD2-CG2 3.69Å; F225-V242 HydrophobicContact CE2-CB 4.1Å; F225-V242 HydrophobicContact CE2-CG2 3.63Å; V242-R247 HydrophobicContact CG2-CG 4.07Å |
| 243 | K | 88.9 | Confident | 89.5 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -119.5 | 164.1 | 165.3 | -68.9 | -176 | 179.4 | -176.4 | 0 | 109.4 | K222 S245 Y246 | K222-K243 HydrophobicContact CG-CD 4.48Å; K222-K243 HydrophobicContact CG-CG 4.03Å; K243-S245 PolarHBondContact O-N 2.8Å; K243-S245 VanDerWaalsContact O-N 3.15Å; K243-Y246 WeakPolarHBondContact CA-O 3.25Å; K243-Y246 PolarHBondContact N-O 3.41Å; K243-Y246 PolarHBondContact O-N 2.82Å | ||
| 244 | P | 78.9 | Confident | 90.2 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 81% | 0.805 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -54.2 | -35.1 | 178 | -28.9 | 36.3 | 0 | 0 | 0 | 114.9 | ||
| 245 | S | 80.8 | Confident | 90.6 | Very high | 116 Ų | 116 | 66.3 Ų | 66.3 | 81% | 0.811 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -105 | -9 | -178.3 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | K243 | K243-S245 PolarHBondContact O-N 2.8Å; K243-S245 VanDerWaalsContact O-N 3.15Å |
| 246 | Y | 81.6 | Confident | 90.8 | Very high | 116 Ų | 116 | 67 Ų | 67 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | trans | -145.4 | 134.5 | -166.2 | -178.9 | -106.3 | 0 | 0 | 0 | 111.5 | K243 N248 | K243-Y246 WeakPolarHBondContact CA-O 3.25Å; K243-Y246 PolarHBondContact N-O 3.41Å; K243-Y246 PolarHBondContact O-N 2.82Å; Y246-N248 HydrophobicContact CE1-CB 3.6Å; Y246-N248 WeakPolarHBondContact OH-CB 3.32Å; Y246-N248 PolarHBondContact OH-ND2 2.84Å | ||
| 247 | R | 88.7 | Confident | 90.9 | Very high | 121 Ų | 121 | 69.6 Ų | 69.6 | 46% | 0.457 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.6 | 173.5 | 179.5 | 172.2 | -165.6 | -68.1 | -1.8 | 109 | S240 E241 V242 | S240-R247 PolarHBondContact OG-NH2 2.81Å; E241-R247 WeakPolarHBondContact O-CA 3.23Å; V242-R247 HydrophobicContact CG2-CG 4.07Å |
| 248 | N | 91.4 | Very high | 90.8 | Very high | 76 Ų | 76 | 71.2 Ų | 71.2 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 148.3 | 173.6 | -163.6 | 9.7 | 0 | 0 | 0 | 109.6 | S240 E241 Y246 | S240-N248 CarbonylContact C-O 3.5Å; S240-N248 VanDerWaalsContact CA-O 3.3Å; S240-N248 WeakPolarHBondContact CA-O 3.35Å; E241-N248 PolarHBondContact N-O 2.99Å; E241-N248 PolarHBondContact O-N 2.76Å; Y246-N248 HydrophobicContact CE1-CB 3.6Å; Y246-N248 WeakPolarHBondContact OH-CB 3.32Å; Y246-N248 PolarHBondContact OH-ND2 2.84Å |
| 249 | S | 92.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 78.1 Ų | 78.1 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 145.8 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | V239 S240 | V239-S249 CarbonylContact O-C 3.55Å; V239-S249 WeakPolarHBondContact O-CA 3.43Å; V239-S249 WeakPolarHBondContact O-CB 3.5Å; S240-S249 WeakPolarHBondContact OG-CB 3.45Å |
| 250 | I | 94.2 | Very high | 90.8 | Very high | 84 Ų | 84 | 81.7 Ų | 81.7 | 43% | 0.431 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 152.7 | 170.4 | 62.5 | 171.7 | 0 | 0 | 0 | 109.9 | R238 V239 I252 F260 | R238-I250 WeakPolarHBondContact CA-O 3.43Å; V239-I250 HydrophobicContact CB-CD1 4.46Å; V239-I250 HydrophobicContact CB-CG1 3.95Å; V239-I250 PolarHBondContact N-O 3.25Å; V239-I250 PolarHBondContact O-N 2.88Å; I250-I252 HydrophobicContact CD1-CD1 3.96Å; I250-I252 HydrophobicContact CD1-CG1 4.14Å; I250-I252 HydrophobicContact CG1-CD1 4.47Å; I250-I252 HydrophobicContact CG1-CG1 4.4Å; I250-F260 HydrophobicContact CD1-CE2 4.3Å; I250-F260 HydrophobicContact CD1-CZ 4.18Å |
| 251 | T | 94.1 | Very high | 90.8 | Very high | 76 Ų | 76 | 83.1 Ų | 83.1 | 47% | 0.466 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.4 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | F236 | F236-T251 HydrophobicContact CB-CG2 3.79Å; F236-T251 HydrophobicContact CD2-CG2 3.58Å; F236-T251 HydrophobicContact CE2-CG2 4.36Å; F236-T251 HydrophobicContact CG-CG2 3.79Å |
| 252 | I | 93.9 | Very high | 90.8 | Very high | 13 Ų | 13 | 83 Ų | 83 | 7% | 0.067 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 114.3 | -175.4 | -51.5 | 165.1 | 0 | 0 | 0 | 107.8 | F236 L237 V239 I250 A256 W257 F260 | F236-I252 CarbonylContact C-O 3.53Å; F236-I252 VanDerWaalsContact CA-O 3.31Å; F236-I252 WeakPolarHBondContact CA-O 3.31Å; L237-I252 HydrophobicContact CD2-CD1 4.49Å; L237-I252 PolarHBondContact N-O 2.74Å; L237-I252 PolarHBondContact O-N 2.82Å; V239-I252 HydrophobicContact CG2-CD1 4.07Å; I250-I252 HydrophobicContact CD1-CD1 3.96Å; I250-I252 HydrophobicContact CD1-CG1 4.14Å; I250-I252 HydrophobicContact CG1-CD1 4.47Å; I250-I252 HydrophobicContact CG1-CG1 4.4Å; I252-A256 HydrophobicContact CG2-CB 4.06Å; I252-W257 PolarHBondContact O-NE1 2.91Å; I252-F260 HydrophobicContact CD1-CD1 3.86Å; I252-F260 HydrophobicContact CD1-CD2 3.83Å; I252-F260 HydrophobicContact CD1-CE1 3.73Å; I252-F260 HydrophobicContact CD1-CE2 3.69Å; I252-F260 HydrophobicContact CD1-CG 3.92Å; I252-F260 HydrophobicContact CD1-CZ 3.64Å; I252-F260 HydrophobicContact CG1-CD2 4.45Å; I252-F260 HydrophobicContact CG1-CE2 4.43Å; I252-F260 HydrophobicContact CG2-CB 4.38Å; I252-F260 HydrophobicContact CG2-CD2 4.49Å; I252-F260 HydrophobicContact CG2-CG 4.46Å |
| 253 | P | 93.3 | Very high | 91 | Very high | 58 Ų | 58 | 82.9 Ų | 82.9 | 38% | 0.377 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 147.1 | 179.8 | 29.2 | -34.8 | 0 | 0 | 0 | 110.8 | K255 A256 W257 | P253-K255 HydrophobicContact CB-CG 4.21Å; P253-K255 HydrophobicContact CG-CG 4.26Å; P253-K255 PolarHBondContact O-N 2.79Å; P253-K255 VanDerWaalsContact O-N 3.1Å; P253-A256 HydrophobicContact CG-CB 4.13Å; P253-A256 WeakPolarHBondContact O-CB 3.34Å; P253-A256 PolarHBondContact O-N 2.87Å; P253-W257 VanDerWaalsContact O-CD1 3.23Å |
| 254 | F | 90.5 | Very high | 91.3 | Very high | 95 Ų | 95 | 86.3 Ų | 86.3 | 42% | 0.417 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -48.9 | -42.5 | -176.1 | -179.6 | -109.2 | 0 | 0 | 0 | 113.7 | V235 A256 W257 | V235-F254 HydrophobicContact CB-CB 4.02Å; V235-F254 HydrophobicContact CB-CG 4.43Å; V235-F254 HydrophobicContact CG1-CB 4.4Å; V235-F254 HydrophobicContact CG1-CD2 4.39Å; V235-F254 VanDerWaalsContact O-CB 3.23Å; V235-F254 WeakPolarHBondContact O-CB 3.18Å; V235-F254 PolarHBondContact O-N 2.86Å; F254-A256 PolarHBondContact O-N 3.09Å; F254-W257 AromaticContact CD2-CD2 3.73Å; F254-W257 HydrophobicContact CD2-CD2 3.73Å; F254-W257 AromaticContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CG 4.42Å; F254-W257 AromaticContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CZ2 4.1Å; F254-W257 AromaticContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CE2-CD2 4.38Å; F254-W257 AromaticContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CH2 4.47Å; F254-W257 AromaticContact CE2-CZ3 3.84Å; F254-W257 HydrophobicContact CE2-CZ3 3.84Å; F254-W257 WeakPolarHBondContact O-CB 3.09Å; F254-W257 PolarHBondContact O-N 2.83Å |
| 255 | K | 90.9 | Very high | 92 | Very high | 190 Ų | 190 | 83.9 Ų | 83.9 | 83% | 0.826 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -56.9 | -17.8 | 176.5 | 67.1 | -178.2 | -179.9 | -178.4 | 0 | 115.2 | P253 | P253-K255 HydrophobicContact CB-CG 4.21Å; P253-K255 HydrophobicContact CG-CG 4.26Å; P253-K255 PolarHBondContact O-N 2.79Å; P253-K255 VanDerWaalsContact O-N 3.1Å |
| 256 | A | 94.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 83.6 Ų | 83.6 | 26% | 0.256 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -103.5 | -7.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I252 P253 F254 G258 K259 F260 | I252-A256 HydrophobicContact CG2-CB 4.06Å; P253-A256 HydrophobicContact CG-CB 4.13Å; P253-A256 WeakPolarHBondContact O-CB 3.34Å; P253-A256 PolarHBondContact O-N 2.87Å; F254-A256 PolarHBondContact O-N 3.09Å; A256-G258 PolarHBondContact O-N 2.9Å; A256-K259 PolarHBondContact O-N 2.84Å; A256-F260 WeakPolarHBondContact O-CB 3.4Å; A256-F260 PolarHBondContact O-N 3.01Å |
| 257 | W | 93.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 84.2 Ų | 84.2 | 25% | 0.25 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | -174.3 | -70.8 | 9.4 | 0 | 0 | 0 | 112.6 | V228 V235 L237 I252 P253 F254 K259 F260 G261 | V228-W257 HydrophobicContact CB-CH2 4.45Å; V228-W257 HydrophobicContact CG1-CH2 3.71Å; V228-W257 HydrophobicContact CG1-CZ2 4.19Å; V228-W257 HydrophobicContact CG2-CH2 3.87Å; V228-W257 HydrophobicContact CG2-CZ2 4.45Å; V235-W257 HydrophobicContact CG1-CH2 3.93Å; V235-W257 HydrophobicContact CG1-CZ2 3.96Å; L237-W257 HydrophobicContact CB-CZ2 3.62Å; I252-W257 PolarHBondContact O-NE1 2.91Å; P253-W257 VanDerWaalsContact O-CD1 3.23Å; F254-W257 AromaticContact CD2-CD2 3.73Å; F254-W257 HydrophobicContact CD2-CD2 3.73Å; F254-W257 AromaticContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CE3 3.53Å; F254-W257 HydrophobicContact CD2-CG 4.42Å; F254-W257 AromaticContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CH2 3.92Å; F254-W257 HydrophobicContact CD2-CZ2 4.1Å; F254-W257 AromaticContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CD2-CZ3 3.64Å; F254-W257 HydrophobicContact CE2-CD2 4.38Å; F254-W257 AromaticContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CE3 3.78Å; F254-W257 HydrophobicContact CE2-CH2 4.47Å; F254-W257 AromaticContact CE2-CZ3 3.84Å; F254-W257 HydrophobicContact CE2-CZ3 3.84Å; F254-W257 WeakPolarHBondContact O-CB 3.09Å; F254-W257 PolarHBondContact O-N 2.83Å; W257-K259 VanDerWaalsContact C-N 3.31Å; W257-K259 PolarHBondContact O-N 2.78Å; W257-F260 PolarHBondContact O-N 2.98Å; W257-G261 PolarHBondContact O-N 3.18Å |
| 258 | G | 92.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 81 Ų | 81 | 69% | 0.691 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A256 G262 | A256-G258 PolarHBondContact O-N 2.9Å; G258-G262 PolarHBondContact O-N 2.85Å |
| 259 | K | 94.9 | Very high | 93.8 | Very high | 176 Ų | 176 | 83.5 Ų | 83.5 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -70.1 | -42 | 176.9 | -64.7 | -176.4 | -179.5 | -177.8 | 0 | 111.7 | A256 W257 A263 | A256-K259 PolarHBondContact O-N 2.84Å; W257-K259 VanDerWaalsContact C-N 3.31Å; W257-K259 PolarHBondContact O-N 2.78Å; K259-A263 WeakPolarHBondContact O-CB 3.47Å; K259-A263 PolarHBondContact O-N 2.85Å |
| 260 | F | 94.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 84.8 Ų | 84.8 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.2 | -49.2 | 180 | -168.1 | -85.9 | 0 | 0 | 0 | 111.4 | I250 I252 A256 W257 A263 F264 | I250-F260 HydrophobicContact CD1-CE2 4.3Å; I250-F260 HydrophobicContact CD1-CZ 4.18Å; I252-F260 HydrophobicContact CD1-CD1 3.86Å; I252-F260 HydrophobicContact CD1-CD2 3.83Å; I252-F260 HydrophobicContact CD1-CE1 3.73Å; I252-F260 HydrophobicContact CD1-CE2 3.69Å; I252-F260 HydrophobicContact CD1-CG 3.92Å; I252-F260 HydrophobicContact CD1-CZ 3.64Å; I252-F260 HydrophobicContact CG1-CD2 4.45Å; I252-F260 HydrophobicContact CG1-CE2 4.43Å; I252-F260 HydrophobicContact CG2-CB 4.38Å; I252-F260 HydrophobicContact CG2-CD2 4.49Å; I252-F260 HydrophobicContact CG2-CG 4.46Å; A256-F260 WeakPolarHBondContact O-CB 3.4Å; A256-F260 PolarHBondContact O-N 3.01Å; W257-F260 PolarHBondContact O-N 2.98Å; F260-A263 PolarHBondContact O-N 3.45Å; F260-F264 PolarHBondContact O-N 3.48Å |
| 261 | G | 92.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 86.4 Ų | 86.4 | 31% | 0.309 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W257 A263 F264 C265 | W257-G261 PolarHBondContact O-N 3.18Å; G261-A263 VanDerWaalsContact C-N 3.34Å; G261-A263 PolarHBondContact O-N 2.8Å; G261-F264 WeakPolarHBondContact O-CB 3.39Å; G261-F264 PolarHBondContact O-N 2.96Å; G261-F264 VanDerWaalsContact O-N 3.12Å; G261-C265 PolarHBondContact O-N 2.77Å; G261-C265 PolarHBondContact O-SG 3.29Å; G261-C265 VanDerWaalsContact O-SG 3.41Å |
| 262 | G | 93.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 88.7 Ų | 88.7 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | G258 R266 | G258-G262 PolarHBondContact O-N 2.85Å; G262-R266 WeakPolarHBondContact O-CB 3.34Å; G262-R266 PolarHBondContact O-N 2.68Å |
| 263 | A | 95.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 93.2 Ų | 93.2 | 31% | 0.306 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K259 F260 G261 Y267 | K259-A263 WeakPolarHBondContact O-CB 3.47Å; K259-A263 PolarHBondContact O-N 2.85Å; F260-A263 PolarHBondContact O-N 3.45Å; G261-A263 VanDerWaalsContact C-N 3.34Å; G261-A263 PolarHBondContact O-N 2.8Å; A263-Y267 HydrophobicContact CB-CE2 4.49Å; A263-Y267 WeakPolarHBondContact O-CD2 3.11Å; A263-Y267 PolarHBondContact O-N 2.94Å; A263-Y267 VanDerWaalsContact O-N 3.07Å |
| 264 | F | 94.8 | Very high | 93.6 | Very high | 145 Ų | 145 | 93.8 Ų | 93.8 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.5 | -48.1 | 177.7 | -173.3 | -91.4 | 0 | 0 | 0 | 112.3 | F260 G261 R266 Y267 A268 | F260-F264 PolarHBondContact O-N 3.48Å; G261-F264 WeakPolarHBondContact O-CB 3.39Å; G261-F264 PolarHBondContact O-N 2.96Å; G261-F264 VanDerWaalsContact O-N 3.12Å; F264-R266 PolarHBondContact O-N 3Å; F264-Y267 PolarHBondContact O-N 2.99Å; F264-A268 WeakPolarHBondContact O-CB 3.48Å; F264-A268 PolarHBondContact O-N 3.49Å |
| 265 | C | 95.1 | Very high | 93.5 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 49% | 0.493 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 177.6 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | G261 Y267 A268 E269 | G261-C265 PolarHBondContact O-N 2.77Å; G261-C265 PolarHBondContact O-SG 3.29Å; G261-C265 VanDerWaalsContact O-SG 3.41Å; C265-Y267 PolarHBondContact O-N 2.77Å; C265-A268 WeakPolarHBondContact O-CB 3.49Å; C265-A268 PolarHBondContact O-N 2.74Å; C265-A268 VanDerWaalsContact O-N 3.13Å; C265-E269 PolarHBondContact O-N 2.5Å |
| 266 | R | 95.7 | Very high | 93.5 | Very high | 111 Ų | 111 | 89.9 Ų | 89.9 | 42% | 0.419 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 177.1 | -179.6 | 179.5 | 62.1 | 93.1 | -0.5 | 112 | G262 F264 A268 E269 E270 | G262-R266 WeakPolarHBondContact O-CB 3.34Å; G262-R266 PolarHBondContact O-N 2.68Å; F264-R266 PolarHBondContact O-N 3Å; R266-A268 VanDerWaalsContact C-N 3.3Å; R266-A268 PolarHBondContact O-N 2.96Å; R266-E269 PolarHBondContact O-N 2.83Å; R266-E270 WeakPolarHBondContact CG-OE1 3.43Å; R266-E270 IonicContact CZ-OE1 3.86Å; R266-E270 IonicContact NH1-OE1 3.88Å; R266-E270 PolarHBondContact NH1-OE1 2.72Å; R266-E270 IonicContact NH1-OE2 3.58Å; R266-E270 WeakPolarHBondContact O-CG 3.44Å; R266-E270 PolarHBondContact O-N 2.95Å |
| 267 | Y | 96.4 | Very high | 93.2 | Very high | 128 Ų | 128 | 95.1 Ų | 95.1 | 50% | 0.502 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -30.8 | 178.2 | -72.4 | -52.8 | 0 | 0 | 0 | 113.1 | A263 F264 C265 M271 | A263-Y267 HydrophobicContact CB-CE2 4.49Å; A263-Y267 WeakPolarHBondContact O-CD2 3.11Å; A263-Y267 PolarHBondContact O-N 2.94Å; A263-Y267 VanDerWaalsContact O-N 3.07Å; F264-Y267 PolarHBondContact O-N 2.99Å; C265-Y267 PolarHBondContact O-N 2.77Å; Y267-M271 WeakPolarHBondContact O-CB 3.32Å; Y267-M271 VanDerWaalsContact O-CG 3.31Å; Y267-M271 WeakPolarHBondContact O-CG 3.25Å; Y267-M271 PolarHBondContact O-N 2.8Å |
| 268 | A | 93.6 | Very high | 92.7 | Very high | 53 Ų | 53 | 97.9 Ų | 97.9 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F264 C265 R266 K272 | F264-A268 WeakPolarHBondContact O-CB 3.48Å; F264-A268 PolarHBondContact O-N 3.49Å; C265-A268 WeakPolarHBondContact O-CB 3.49Å; C265-A268 PolarHBondContact O-N 2.74Å; C265-A268 VanDerWaalsContact O-N 3.13Å; R266-A268 VanDerWaalsContact C-N 3.3Å; R266-A268 PolarHBondContact O-N 2.96Å; A268-K272 PolarHBondContact O-N 3.21Å; A268-K272 VanDerWaalsContact O-N 3.1Å |
| 269 | E | 93.4 | Very high | 92.3 | Very high | 130 Ų | 130 | 100.9 Ų | 100.9 | 61% | 0.607 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -49.6 | 174.8 | -70.7 | 171.8 | 177.7 | 0 | 0 | 111.6 | C265 R266 M271 K272 E273 | C265-E269 PolarHBondContact O-N 2.5Å; R266-E269 PolarHBondContact O-N 2.83Å; E269-M271 VanDerWaalsContact C-N 3.26Å; E269-M271 PolarHBondContact O-N 2.98Å; E269-K272 WeakPolarHBondContact O-CB 3.26Å; E269-K272 PolarHBondContact O-N 2.74Å; E269-E273 PolarHBondContact O-N 3.23Å |
| 270 | E | 95.1 | Very high | 91.4 | Very high | 76 Ų | 76 | 96.3 Ų | 96.3 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | 177.1 | -73.3 | 174.3 | -162.4 | 0 | 0 | 111.5 | R266 E273 I274 | R266-E270 WeakPolarHBondContact CG-OE1 3.43Å; R266-E270 IonicContact CZ-OE1 3.86Å; R266-E270 IonicContact NH1-OE1 3.88Å; R266-E270 PolarHBondContact NH1-OE1 2.72Å; R266-E270 IonicContact NH1-OE2 3.58Å; R266-E270 WeakPolarHBondContact O-CG 3.44Å; R266-E270 PolarHBondContact O-N 2.95Å; E270-E273 PolarHBondContact O-N 2.85Å; E270-I274 VanDerWaalsContact O-CG1 3.29Å; E270-I274 WeakPolarHBondContact O-CG1 3.32Å; E270-I274 PolarHBondContact O-N 3.08Å; E270-I274 VanDerWaalsContact O-N 3.15Å |
| 271 | M | 92.7 | Very high | 90.7 | Very high | 118 Ų | 118 | 98.5 Ų | 98.5 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.1 | -36.8 | 176.4 | -79.9 | -67.6 | 177.6 | 0 | 0 | 113 | Y267 E269 I274 Q275 | Y267-M271 WeakPolarHBondContact O-CB 3.32Å; Y267-M271 VanDerWaalsContact O-CG 3.31Å; Y267-M271 WeakPolarHBondContact O-CG 3.25Å; Y267-M271 PolarHBondContact O-N 2.8Å; E269-M271 VanDerWaalsContact C-N 3.26Å; E269-M271 PolarHBondContact O-N 2.98Å; M271-I274 PolarHBondContact O-N 2.82Å; M271-I274 HydrophobicContact SD-CD1 4.48Å; M271-Q275 WeakPolarHBondContact O-CG 3.47Å; M271-Q275 PolarHBondContact O-N 3.5Å |
| 272 | K | 92.5 | Very high | 89.7 | Confident | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 176.2 | -174.2 | -176.7 | 171.8 | -168 | 0 | 110.9 | A268 E269 I274 Q275 E276 | A268-K272 PolarHBondContact O-N 3.21Å; A268-K272 VanDerWaalsContact O-N 3.1Å; E269-K272 WeakPolarHBondContact O-CB 3.26Å; E269-K272 PolarHBondContact O-N 2.74Å; K272-I274 VanDerWaalsContact C-N 3.28Å; K272-I274 PolarHBondContact O-N 3.29Å; K272-Q275 PolarHBondContact O-N 3.48Å; K272-Q275 VanDerWaalsContact O-N 3.16Å; K272-E276 WeakPolarHBondContact CE-OE1 3.38Å; K272-E276 IonicContact NZ-OE1 3.93Å; K272-E276 WeakPolarHBondContact O-CG 3.33Å; K272-E276 PolarHBondContact O-N 2.79Å |
| 273 | E | 92.3 | Very high | 88.6 | Confident | 108 Ų | 108 | 108.8 Ų | 108.8 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 177 | -68.3 | -179.5 | -178.8 | 0 | 0 | 113 | E269 E270 R277 | E269-E273 PolarHBondContact O-N 3.23Å; E270-E273 PolarHBondContact O-N 2.85Å; E273-R277 WeakPolarHBondContact O-CB 3.24Å; E273-R277 WeakPolarHBondContact O-CG 3.25Å; E273-R277 PolarHBondContact O-N 3.39Å; E273-R277 PolarHBondContact O-NE 2.9Å; E273-R277 IonicContact OE2-NH2 2.68Å |
| 274 | I | 92.6 | Very high | 87.3 | Confident | 69 Ų | 69 | 112.8 Ų | 112.8 | 35% | 0.354 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 175.5 | -69.1 | 167 | 0 | 0 | 0 | 110 | E270 M271 K272 R277 Q278 | E270-I274 VanDerWaalsContact O-CG1 3.29Å; E270-I274 WeakPolarHBondContact O-CG1 3.32Å; E270-I274 PolarHBondContact O-N 3.08Å; E270-I274 VanDerWaalsContact O-N 3.15Å; M271-I274 PolarHBondContact O-N 2.82Å; M271-I274 HydrophobicContact SD-CD1 4.48Å; K272-I274 VanDerWaalsContact C-N 3.28Å; K272-I274 PolarHBondContact O-N 3.29Å; I274-R277 PolarHBondContact O-N 2.89Å; I274-Q278 WeakPolarHBondContact O-CB 2.96Å; I274-Q278 VanDerWaalsContact O-CG 3.29Å; I274-Q278 WeakPolarHBondContact O-CG 3.31Å; I274-Q278 PolarHBondContact O-N 3.12Å |
| 275 | Q | 88.5 | Confident | 86 | Confident | 133 Ų | 133 | 115.2 Ų | 115.2 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 177.6 | -73.7 | 179.8 | -2.8 | 0 | 0 | 112.2 | M271 K272 Q278 R279 | M271-Q275 WeakPolarHBondContact O-CG 3.47Å; M271-Q275 PolarHBondContact O-N 3.5Å; K272-Q275 PolarHBondContact O-N 3.48Å; K272-Q275 VanDerWaalsContact O-N 3.16Å; Q275-Q278 PolarHBondContact O-N 3.23Å; Q275-R279 WeakPolarHBondContact O-CB 3.45Å; Q275-R279 PolarHBondContact O-N 2.97Å |
| 276 | E | 89.8 | Confident | 84.3 | Confident | 71 Ų | 71 | 118.9 Ų | 118.9 | 33% | 0.332 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 176.8 | -71.3 | 176.9 | 165.9 | 0 | 0 | 110.9 | K272 Q278 R279 D280 | K272-E276 WeakPolarHBondContact CE-OE1 3.38Å; K272-E276 IonicContact NZ-OE1 3.93Å; K272-E276 WeakPolarHBondContact O-CG 3.33Å; K272-E276 PolarHBondContact O-N 2.79Å; E276-Q278 VanDerWaalsContact C-N 3.27Å; E276-Q278 PolarHBondContact O-N 3.05Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 2.89Å; E276-R279 VanDerWaalsContact O-N 3.08Å; E276-D280 VanDerWaalsContact O-CG 3.23Å; E276-D280 PolarHBondContact O-N 3.18Å |
| 277 | R | 87.9 | Confident | 82.6 | Confident | 140 Ų | 140 | 120.4 Ų | 120.4 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.9 | -35 | 174.6 | -78.2 | -177.9 | -80.8 | 175.5 | -14.2 | 113.4 | E273 I274 K281 | E273-R277 WeakPolarHBondContact O-CB 3.24Å; E273-R277 WeakPolarHBondContact O-CG 3.25Å; E273-R277 PolarHBondContact O-N 3.39Å; E273-R277 PolarHBondContact O-NE 2.9Å; E273-R277 IonicContact OE2-NH2 2.68Å; I274-R277 PolarHBondContact O-N 2.89Å; R277-K281 WeakPolarHBondContact O-CB 3.26Å; R277-K281 WeakPolarHBondContact O-CD 3.37Å; R277-K281 WeakPolarHBondContact O-CG 3.24Å; R277-K281 PolarHBondContact O-N 2.88Å |
| 278 | Q | 83.4 | Confident | 80.8 | Confident | 125 Ų | 125 | 121.3 Ų | 121.3 | 58% | 0.584 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70 | -38.6 | 175.4 | -77.6 | 178.8 | -4.7 | 0 | 0 | 112 | I274 Q275 E276 M282 | I274-Q278 WeakPolarHBondContact O-CB 2.96Å; I274-Q278 VanDerWaalsContact O-CG 3.29Å; I274-Q278 WeakPolarHBondContact O-CG 3.31Å; I274-Q278 PolarHBondContact O-N 3.12Å; Q275-Q278 PolarHBondContact O-N 3.23Å; E276-Q278 VanDerWaalsContact C-N 3.27Å; E276-Q278 PolarHBondContact O-N 3.05Å; Q278-M282 PolarHBondContact O-N 3.44Å |
| 279 | R | 83.3 | Confident | 79.1 | Confident | 130 Ų | 130 | 122.1 Ų | 122.1 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -46.1 | 177 | -176.6 | -176.8 | 63 | -168 | -6.6 | 111.3 | Q275 E276 K281 M282 Y283 | Q275-R279 WeakPolarHBondContact O-CB 3.45Å; Q275-R279 PolarHBondContact O-N 2.97Å; E276-R279 WeakPolarHBondContact O-CB 3.44Å; E276-R279 PolarHBondContact O-N 2.89Å; E276-R279 VanDerWaalsContact O-N 3.08Å; R279-K281 VanDerWaalsContact C-N 3.35Å; R279-K281 PolarHBondContact O-N 3.13Å; R279-M282 WeakPolarHBondContact O-CA 3.32Å; R279-M282 WeakPolarHBondContact O-CB 3.27Å; R279-M282 PolarHBondContact O-N 2.66Å; R279-Y283 HydrophobicContact CG-CD2 3.86Å; R279-Y283 HydrophobicContact CG-CE2 3.66Å; R279-Y283 VanDerWaalsContact O-CD2 3.29Å; R279-Y283 WeakPolarHBondContact O-CD2 3.37Å; R279-Y283 PolarHBondContact O-N 2.85Å |
| 280 | D | 77.9 | Confident | 77.3 | Confident | 80 Ų | 80 | 121.4 Ų | 121.4 | 43% | 0.428 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | -178.3 | -61.2 | -11.6 | 0 | 0 | 0 | 110.9 | E276 M282 Y283 E284 | E276-D280 VanDerWaalsContact O-CG 3.23Å; E276-D280 PolarHBondContact O-N 3.18Å; D280-M282 PolarHBondContact O-N 3.4Å; D280-Y283 PolarHBondContact O-N 3.16Å; D280-Y283 VanDerWaalsContact O-N 3.12Å; D280-E284 PolarHBondContact O-N 3.03Å |
| 281 | K | 78.1 | Confident | 75.4 | Confident | 145 Ų | 145 | 120.5 Ų | 120.5 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.2 | -30.3 | 170.9 | -74.7 | 176.3 | -178.7 | -173.1 | 0 | 113.9 | R277 R279 R285 | R277-K281 WeakPolarHBondContact O-CB 3.26Å; R277-K281 WeakPolarHBondContact O-CD 3.37Å; R277-K281 WeakPolarHBondContact O-CG 3.24Å; R277-K281 PolarHBondContact O-N 2.88Å; R279-K281 VanDerWaalsContact C-N 3.35Å; R279-K281 PolarHBondContact O-N 3.13Å; K281-R285 WeakPolarHBondContact O-CB 3.09Å; K281-R285 PolarHBondContact O-N 2.95Å |
| 282 | M | 71.3 | Confident | 73.7 | Confident | 146 Ų | 146 | 122 Ų | 122 | 72% | 0.719 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.4 | -34.4 | 176.2 | -172.7 | 179.7 | 178.8 | 0 | 0 | 111.3 | Q278 R279 D280 R286 | Q278-M282 PolarHBondContact O-N 3.44Å; R279-M282 WeakPolarHBondContact O-CA 3.32Å; R279-M282 WeakPolarHBondContact O-CB 3.27Å; R279-M282 PolarHBondContact O-N 2.66Å; D280-M282 PolarHBondContact O-N 3.4Å; M282-R286 PolarHBondContact O-N 3.43Å |
| 283 | Y | 69.9 | Low | 71.9 | Confident | 141 Ų | 141 | 123 Ų | 123 | 55% | 0.553 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.6 | -46.9 | 172.8 | -83.9 | -76.6 | 0 | 0 | 0 | 111.9 | R279 D280 R285 R286 E287 | R279-Y283 HydrophobicContact CG-CD2 3.86Å; R279-Y283 HydrophobicContact CG-CE2 3.66Å; R279-Y283 VanDerWaalsContact O-CD2 3.29Å; R279-Y283 WeakPolarHBondContact O-CD2 3.37Å; R279-Y283 PolarHBondContact O-N 2.85Å; D280-Y283 PolarHBondContact O-N 3.16Å; D280-Y283 VanDerWaalsContact O-N 3.12Å; Y283-R285 VanDerWaalsContact C-N 3.35Å; Y283-R285 PolarHBondContact O-N 2.85Å; Y283-R286 WeakPolarHBondContact O-CB 3.33Å; Y283-R286 PolarHBondContact O-N 3.34Å; Y283-E287 PolarHBondContact O-N 2.92Å |
| 284 | E | 69.1 | Low | 70.3 | Confident | 121 Ų | 121 | 123.4 Ų | 123.4 | 57% | 0.565 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.1 | -44.6 | 177.3 | -74.2 | 176.3 | 168 | 0 | 0 | 112 | D280 R286 E287 E288 | D280-E284 PolarHBondContact O-N 3.03Å; E284-R286 PolarHBondContact O-N 2.87Å; E284-E287 PolarHBondContact O-N 2.78Å; E284-E288 WeakPolarHBondContact O-CG 3.29Å; E284-E288 PolarHBondContact O-N 3.19Å |
| 285 | R | 66.6 | Low | 68.6 | Low | 197 Ų | 197 | 127.9 Ų | 127.9 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.6 | -30.3 | 176.3 | -178.8 | 179.3 | -71.8 | -143.9 | -4.4 | 113 | K281 Y283 S289 | K281-R285 WeakPolarHBondContact O-CB 3.09Å; K281-R285 PolarHBondContact O-N 2.95Å; Y283-R285 VanDerWaalsContact C-N 3.35Å; Y283-R285 PolarHBondContact O-N 2.85Å; R285-S289 PolarHBondContact O-N 3.31Å; R285-S289 PolarHBondContact O-OG 3.41Å |
| 286 | R | 60.6 | Low | 67 | Low | 150 Ų | 150 | 129.9 Ų | 129.9 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.6 | -40.3 | 179.8 | -175.3 | 177.2 | 175 | 179.1 | -0.4 | 111.4 | M282 Y283 E284 S289 E290 | M282-R286 PolarHBondContact O-N 3.43Å; Y283-R286 WeakPolarHBondContact O-CB 3.33Å; Y283-R286 PolarHBondContact O-N 3.34Å; E284-R286 PolarHBondContact O-N 2.87Å; R286-S289 WeakPolarHBondContact CA-OG 3.44Å; R286-S289 PolarHBondContact O-N 3.07Å; R286-S289 PolarHBondContact O-OG 3.46Å; R286-E290 IonicContact CZ-OE1 3.61Å; R286-E290 IonicContact NE-OE1 2.94Å; R286-E290 PolarHBondContact NE-OE1 3.28Å; R286-E290 IonicContact NH2-OE1 3.36Å; R286-E290 PolarHBondContact NH2-OE1 2.82Å; R286-E290 PolarHBondContact O-N 3.39Å |
| 287 | E | 59.6 | Low | 64.9 | Low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.8 | -38.3 | 174 | -71.4 | -174.1 | 167.3 | 0 | 0 | 111.8 | Y283 E284 S289 E290 G291 | Y283-E287 PolarHBondContact O-N 2.92Å; E284-E287 PolarHBondContact O-N 2.78Å; E287-S289 VanDerWaalsContact C-N 3.3Å; E287-S289 PolarHBondContact O-N 3.29Å; E287-E290 PolarHBondContact O-N 2.98Å; E287-G291 PolarHBondContact O-N 3.12Å |
| 288 | E | 58.8 | Low | 63.8 | Low | 148 Ų | 148 | 137.9 Ų | 137.9 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -63.2 | -32.9 | 172.4 | -76.2 | 179.2 | 166 | 0 | 0 | 112.7 | E284 | E284-E288 WeakPolarHBondContact O-CG 3.29Å; E284-E288 PolarHBondContact O-N 3.19Å |
| 289 | S | 58.6 | Low | 62.7 | Low | 70 Ų | 70 | 138.6 Ų | 138.6 | 49% | 0.49 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -81 | -26.2 | 177.9 | 64 | 0 | 0 | 0 | 0 | 114.7 | R285 R286 E287 | R285-S289 PolarHBondContact O-N 3.31Å; R285-S289 PolarHBondContact O-OG 3.41Å; R286-S289 WeakPolarHBondContact CA-OG 3.44Å; R286-S289 PolarHBondContact O-N 3.07Å; R286-S289 PolarHBondContact O-OG 3.46Å; E287-S289 VanDerWaalsContact C-N 3.3Å; E287-S289 PolarHBondContact O-N 3.29Å |
| 290 | E | 55.6 | Low | 61.6 | Low | 114 Ų | 114 | 139.1 Ų | 139.1 | 53% | 0.533 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -85.6 | -12 | 178.2 | -71.9 | 176.2 | -173.6 | 0 | 0 | 111.9 | R286 E287 | R286-E290 IonicContact CZ-OE1 3.61Å; R286-E290 IonicContact NE-OE1 2.94Å; R286-E290 PolarHBondContact NE-OE1 3.28Å; R286-E290 IonicContact NH2-OE1 3.36Å; R286-E290 PolarHBondContact NH2-OE1 2.82Å; R286-E290 PolarHBondContact O-N 3.39Å; E287-E290 PolarHBondContact O-N 2.98Å |
| 291 | G | 54.8 | Low | 60.6 | Low | 57 Ų | 57 | 142.5 Ų | 142.5 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -89.7 | -12.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | E287 | E287-G291 PolarHBondContact O-N 3.12Š|
| 292 | D | 56.5 | Low | 59.6 | Low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -94.5 | -6.2 | -178.2 | -102.4 | -3.2 | 0 | 0 | 0 | 113.6 | ||
| 293 | D | 55.5 | Low | 58.8 | Low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -97.1 | 13.9 | -176.8 | -81.3 | -32.7 | 0 | 0 | 0 | 114.1 | ||
| 294 | V | 57.1 | Low | 58 | Low | 117 Ų | 117 | 142.2 Ų | 142.2 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -126.5 | 61.7 | -179.6 | -164 | 0 | 0 | 0 | 0 | 110.7 | ||
| 295 | D | 56.8 | Low | 57.1 | Low | 163 Ų | 163 | 143.8 Ų | 143.8 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | -171.3 | 76.4 | 157.9 | -90.9 | -29.3 | 0 | 0 | 0 | 109.5 | ||||
| 296 | D | 55 | Low | 56.3 | Low | 174 Ų | 174 | 139.4 Ų | 139.4 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | trans | -156.6 | 88.3 | 154.4 | -126.5 | -6.2 | 0 | 0 | 0 | 109 | ||||
| 297 | D | 47.2 | Very low | 55.9 | Low | 242 Ų | 242 | 138.5 Ų | 138.5 | 100% | 1.294 | 76% | 0.759 | S | S | * | * | trans | -137.7 | 0 | 165.9 | -139 | 6.1 | 0 | 0 | 0 | 108.8 |
Retrieved 297 of 297 residues in 155.6 ms
(Link to these results)