| 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 | 32.4 | Very low | 53.4 | Low | 241 Ų | 241 | 134.9 Ų | 134.9 | 100% | 1.187 | 72% | 0.719 | S | S | * | * | 0 | 81.7 | 0 | -72.5 | -89.8 | -131.9 | 0 | 0 | 105.9 | |||||
| 2 | S | 31.9 | Very low | 55.4 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | trans | -73.4 | 128.4 | 179.1 | 40.4 | 0 | 0 | 0 | 0 | 109.3 | E4 | S2-E4 PolarHBondContact O-N 2.85Š| ||
| 3 | T | 35.6 | Very low | 56.5 | Low | 137 Ų | 137 | 131.1 Ų | 131.1 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 31.7 | -173.1 | 31.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 4 | E | 43.5 | Very low | 57.8 | Low | 169 Ų | 169 | 127 Ų | 127 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | -7.5 | -171.1 | -64.4 | -163.8 | 161.4 | 0 | 0 | 115.1 | S2 | S2-E4 PolarHBondContact O-N 2.85Š|
| 5 | W | 50.8 | Low | 58.9 | Low | 228 Ų | 228 | 126.9 Ų | 126.9 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -96.9 | -12.3 | -175.9 | -132.4 | -63.4 | 0 | 0 | 0 | 115.7 | ||
| 6 | N | 53.3 | Low | 59.4 | Low | 59 Ų | 59 | 123.8 Ų | 123.8 | 32% | 0.316 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -129.7 | 112.6 | 177.4 | -108.5 | -1.7 | 0 | 0 | 0 | 108.7 | G8 | N6-G8 PolarHBondContact O-N 3.38Š|
| 7 | N | 57.6 | Low | 60.2 | Low | 160 Ų | 160 | 126.5 Ų | 126.5 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -59.4 | 65.8 | 176.7 | -71.3 | -22.2 | 0 | 0 | 0 | 112.6 | L9 | N7-L9 PolarHBondContact O-N 2.92Å; N7-L9 VanDerWaalsContact O-N 3.14Å |
| 8 | G | 63.6 | Low | 60.6 | Low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 66.3 | 11.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | N6 | N6-G8 PolarHBondContact O-N 3.38Š|
| 9 | L | 74.7 | Confident | 61.2 | Low | 77 Ų | 77 | 131.2 Ų | 131.2 | 40% | 0.403 | 69% | 0.693 | S | S | . | * | trans | -79.8 | 137.8 | -179.2 | -73.1 | 169.9 | 0 | 0 | 0 | 112.3 | N7 | N7-L9 PolarHBondContact O-N 2.92Å; N7-L9 VanDerWaalsContact O-N 3.14Å | ||
| 10 | P | 71.5 | Confident | 61.9 | Low | 74 Ų | 74 | 133 Ų | 133 | 48% | 0.481 | 70% | 0.702 | S | S | . | * | trans | -71.2 | 141 | -179.8 | 28.2 | -33.5 | 0 | 0 | 0 | 112.2 | I12 | P10-I12 PolarHBondContact O-N 3.41Š| ||
| 11 | F | 72.3 | Confident | 62.4 | Low | 175 Ų | 175 | 130.4 Ų | 130.4 | 77% | 0.768 | 70% | 0.7 | S | S | * | * | trans | -82.2 | 59.4 | -177.3 | -124.5 | -88.5 | 0 | 0 | 0 | 112.2 | T16 | F11-T16 HydrophobicContact CE1-CG2 4.33Š| ||
| 12 | I | 77.9 | Confident | 64.3 | Low | 86 Ų | 86 | 121.8 Ų | 121.8 | 44% | 0.441 | 66% | 0.655 | S | S | . | * | trans | -103.8 | 153.9 | 177.4 | 61.8 | 174.1 | 0 | 0 | 0 | 111.8 | P10 G14 Y15 | P10-I12 PolarHBondContact O-N 3.41Å; I12-G14 PolarHBondContact O-N 3.36Å; I12-G14 VanDerWaalsContact O-N 3.17Å; I12-Y15 HydrophobicContact CD1-CD2 3.71Å; I12-Y15 HydrophobicContact CD1-CE2 4Å; I12-Y15 HydrophobicContact CG1-CD2 3.62Å; I12-Y15 HydrophobicContact CG1-CE2 4.41Å; I12-Y15 PolarHBondContact O-N 3.17Å; I12-Y15 VanDerWaalsContact O-N 3.12Å | ||
| 13 | P | 69.9 | Low | 66.4 | Low | 134 Ų | 134 | 124 Ų | 124 | 87% | 0.87 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 121.7 | 176.5 | -22.6 | 32.8 | 0 | 0 | 0 | 111 | ||
| 14 | G | 73.8 | Confident | 68.3 | Low | 74 Ų | 74 | 119.1 Ų | 119.1 | 76% | 0.763 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.6 | -25.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I12 | I12-G14 PolarHBondContact O-N 3.36Å; I12-G14 VanDerWaalsContact O-N 3.17Å |
| 15 | Y | 74.1 | Confident | 70 | Confident | 126 Ų | 126 | 117.8 Ų | 117.8 | 49% | 0.494 | 63% | 0.631 | S | S | . | * | trans | -102.5 | 46 | 174.8 | -72.9 | -70.9 | 0 | 0 | 0 | 112.2 | I12 | I12-Y15 HydrophobicContact CD1-CD2 3.71Å; I12-Y15 HydrophobicContact CD1-CE2 4Å; I12-Y15 HydrophobicContact CG1-CD2 3.62Å; I12-Y15 HydrophobicContact CG1-CE2 4.41Å; I12-Y15 PolarHBondContact O-N 3.17Å; I12-Y15 VanDerWaalsContact O-N 3.12Å | ||
| 16 | T | 67.1 | Low | 71.3 | Confident | 77 Ų | 77 | 110.8 Ų | 110.8 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | trans | -127.2 | 117.9 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 110 | F11 | F11-T16 HydrophobicContact CE1-CG2 4.33Š| ||
| 17 | F | 74.1 | Confident | 72.3 | Confident | 170 Ų | 170 | 118 Ų | 118 | 75% | 0.746 | 63% | 0.63 | S | S | * | * | trans | -91.4 | 125.3 | 175.9 | -57.5 | -78.7 | 0 | 0 | 0 | 109.7 | ||||
| 18 | R | 66.9 | Low | 73.2 | Confident | 226 Ų | 226 | 112.7 Ų | 112.7 | 85% | 0.853 | 61% | 0.606 | S | S | * | * | trans | -89.5 | 124.1 | 172.7 | -69.9 | -175.8 | -178.6 | 175 | 1.2 | 108.9 | L20 | R18-L20 PolarHBondContact O-N 3.47Š| ||
| 19 | D | 71.5 | Confident | 73.8 | Confident | 115 Ų | 115 | 117.6 Ų | 117.6 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | trans | -74.5 | 114 | 169.3 | -175.1 | 2.4 | 0 | 0 | 0 | 109.7 | A21 | D19-A21 VanDerWaalsContact C-N 3.32Å; D19-A21 WeakPolarHBondContact OD1-CB 3.45Å; D19-A21 PolarHBondContact OD1-N 3.08Å | ||
| 20 | L | 74.5 | Confident | 73.9 | Confident | 168 Ų | 168 | 116 Ų | 116 | 88% | 0.88 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -10.4 | -179.3 | -67.3 | 170.9 | 0 | 0 | 0 | 112.8 | R18 | R18-L20 PolarHBondContact O-N 3.47Š|
| 21 | A | 74.3 | Confident | 74.2 | Confident | 78 Ų | 78 | 119 Ų | 119 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -10.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D19 T23 | D19-A21 VanDerWaalsContact C-N 3.32Å; D19-A21 WeakPolarHBondContact OD1-CB 3.45Å; D19-A21 PolarHBondContact OD1-N 3.08Å; A21-T23 PolarHBondContact O-N 2.91Å |
| 22 | K | 72 | Confident | 74.6 | Confident | 60 Ų | 60 | 111.8 Ų | 111.8 | 26% | 0.261 | 59% | 0.588 | S | S | . | * | trans | -75.4 | 117.4 | -175.9 | -166.1 | 159.1 | -175.4 | 150.1 | 0 | 111.4 | F25 I47 E50 | K22-F25 HydrophobicContact CB-CZ 4.42Å; K22-F25 HydrophobicContact CG-CE1 4.25Å; K22-F25 HydrophobicContact CG-CZ 4.44Å; K22-F25 WeakPolarHBondContact O-CE2 3.39Å; K22-F25 WeakPolarHBondContact O-CZ 3.43Å; K22-I47 WeakPolarHBondContact CE-O 3.43Å; K22-I47 PolarHBondContact NZ-O 3.07Å; K22-E50 IonicContact NZ-OE1 2.68Å; K22-E50 PolarHBondContact NZ-OE1 3.23Å; K22-E50 IonicContact NZ-OE2 2.99Å; K22-E50 PolarHBondContact NZ-OE2 3.14Å | ||
| 23 | T | 75.3 | Confident | 74.8 | Confident | 133 Ų | 133 | 116.6 Ų | 116.6 | 82% | 0.816 | 60% | 0.601 | S | S | * | * | trans | -108.1 | -12.6 | -177.6 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | A21 | A21-T23 PolarHBondContact O-N 2.91Š| ||
| 24 | A | 76.3 | Confident | 75.1 | Confident | 33 Ų | 33 | 116.3 Ų | 116.3 | 27% | 0.273 | 59% | 0.587 | S | S | . | * | trans | -110.4 | 122.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | G48 | A24-G48 WeakPolarHBondContact O-CA 3.47Š| ||
| 25 | F | 78 | Confident | 75 | Confident | 142 Ų | 142 | 119.8 Ų | 119.8 | 62% | 0.623 | 59% | 0.588 | S | S | * | * | trans | -126.7 | 16.1 | -176 | -58.7 | -79.9 | 0 | 0 | 0 | 114.4 | K22 | K22-F25 HydrophobicContact CB-CZ 4.42Å; K22-F25 HydrophobicContact CG-CE1 4.25Å; K22-F25 HydrophobicContact CG-CZ 4.44Å; K22-F25 WeakPolarHBondContact O-CE2 3.39Å; K22-F25 WeakPolarHBondContact O-CZ 3.43Å | ||
| 26 | H | 79.1 | Confident | 75 | Confident | 80 Ų | 80 | 116.8 Ų | 116.8 | 37% | 0.37 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 139.1 | 179.5 | 53.7 | -87.5 | 0 | 0 | 0 | 110.7 | I47 G48 K49 | H26-I47 WeakPolarHBondContact O-CA 3.43Å; H26-G48 VanDerWaalsContact NE2-C 3.34Å; H26-G48 PolarHBondContact O-N 3.12Å; H26-G48 VanDerWaalsContact O-N 3.11Å; H26-K49 PolarHBondContact CE1-N 2.87Å; H26-K49 WeakPolarHBondContact NE2-CA 3.37Å; H26-K49 WeakPolarHBondContact NE2-CB 3.15Å; H26-K49 VanDerWaalsContact NE2-CD 3.35Å; H26-K49 WeakPolarHBondContact NE2-CD 3.41Å; H26-K49 WeakPolarHBondContact NE2-CG 3.3Å; H26-K49 PolarHBondContact NE2-N 3.5Å |
| 27 | R | 74.4 | Confident | 74.8 | Confident | 211 Ų | 211 | 120.5 Ų | 120.5 | 80% | 0.796 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 142.6 | 179.7 | -63.1 | -177.2 | 176.8 | -175.8 | -0.9 | 110.1 | I47 | R27-I47 HydrophobicContact CG-CG1 4.31Š|
| 28 | S | 75.1 | Confident | 75 | Confident | 48 Ų | 48 | 115.9 Ų | 115.9 | 34% | 0.336 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 136.6 | 170.4 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | T30 V45 | S28-T30 VanDerWaalsContact C-N 3.33Å; S28-T30 PolarHBondContact O-N 2.92Å; S28-V45 PolarHBondContact OG-O 3.31Å; S28-V45 VanDerWaalsContact OG-O 3.05Å |
| 29 | Q | 76 | Confident | 75.4 | Confident | 183 Ų | 183 | 108.5 Ų | 108.5 | 86% | 0.855 | 58% | 0.575 | S | S | * | * | trans | -77.6 | 84.6 | 174.2 | -99 | 158.3 | -28.9 | 0 | 0 | 109.5 | ||||
| 30 | T | 77.1 | Confident | 75.5 | Confident | 44 Ų | 44 | 107.8 Ų | 107.8 | 27% | 0.27 | 58% | 0.58 | S | S | . | * | trans | -85.2 | -11.6 | 177.2 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | S28 S40 Y41 P43 | S28-T30 VanDerWaalsContact C-N 3.33Å; S28-T30 PolarHBondContact O-N 2.92Å; T30-S40 CarbonylContact O-C 3.52Å; T30-S40 WeakPolarHBondContact O-CA 3.35Å; T30-Y41 WeakPolarHBondContact CB-O 3.45Å; T30-Y41 PolarHBondContact O-N 3.46Å; T30-P43 HydrophobicContact CG2-CB 3.51Å; T30-P43 HydrophobicContact CG2-CG 3.86Å | ||
| 31 | L | 79.4 | Confident | 75.5 | Confident | 135 Ų | 135 | 105.6 Ų | 105.6 | 71% | 0.707 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.4 | -179.7 | -62.5 | 172.2 | 0 | 0 | 0 | 108.6 | ||
| 32 | G | 80.6 | Confident | 75.1 | Confident | 25 Ų | 25 | 113.3 Ų | 113.3 | 26% | 0.258 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -150.9 | 163.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L39 | G32-L39 PolarHBondContact N-O 3.33Å; G32-L39 PolarHBondContact O-N 3.13Å; G32-L39 VanDerWaalsContact O-O 3.11Å |
| 33 | Y | 80.9 | Confident | 74.9 | Confident | 186 Ų | 186 | 113.5 Ų | 113.5 | 73% | 0.729 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.4 | 172.7 | -80 | -96.8 | 0 | 0 | 0 | 109.4 | F37 A38 | Y33-F37 WeakPolarHBondContact CA-O 3Å; Y33-A38 HydrophobicContact CD1-CB 4.38Å; Y33-A38 HydrophobicContact CE1-CB 3.8Å; Y33-A38 HydrophobicContact CE2-CB 4.46Å |
| 34 | K | 77.3 | Confident | 74.4 | Confident | 129 Ų | 129 | 111.4 Ų | 111.4 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.7 | 168.4 | -167 | 179.9 | -179.6 | -177.9 | 0 | 107.9 | G36 F37 L39 | K34-G36 VanDerWaalsContact C-N 3.26Å; K34-G36 PolarHBondContact O-N 3.04Å; K34-F37 PolarHBondContact N-O 3.35Å; K34-F37 VanDerWaalsContact N-O 3.14Å; K34-F37 PolarHBondContact O-N 2.93Å; K34-L39 HydrophobicContact CB-CD1 3.55Å; K34-L39 HydrophobicContact CD-CD1 4.29Å |
| 35 | N | 71.3 | Confident | 74 | Confident | 146 Ų | 146 | 111.7 Ų | 111.7 | 78% | 0.781 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52 | 40.3 | 179.6 | -57.3 | -14.6 | 0 | 0 | 0 | 113.9 | F37 | N35-F37 WeakPolarHBondContact O-CD2 3.35Å; N35-F37 PolarHBondContact O-N 2.83Å |
| 36 | G | 74.6 | Confident | 73.6 | Confident | 64 Ų | 64 | 107.9 Ų | 107.9 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.8 | -9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | K34 | K34-G36 VanDerWaalsContact C-N 3.26Å; K34-G36 PolarHBondContact O-N 3.04Å |
| 37 | F | 62.7 | Low | 73 | Confident | 154 Ų | 154 | 107.5 Ų | 107.5 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 138 | 176.7 | -59.7 | -82.7 | 0 | 0 | 0 | 111.5 | Y33 K34 N35 L39 | Y33-F37 WeakPolarHBondContact CA-O 3Å; K34-F37 PolarHBondContact N-O 3.35Å; K34-F37 VanDerWaalsContact N-O 3.14Å; K34-F37 PolarHBondContact O-N 2.93Å; N35-F37 WeakPolarHBondContact O-CD2 3.35Å; N35-F37 PolarHBondContact O-N 2.83Å; F37-L39 PolarHBondContact O-N 3.18Å |
| 38 | A | 77.3 | Confident | 72.8 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y33 | Y33-A38 HydrophobicContact CD1-CB 4.38Å; Y33-A38 HydrophobicContact CE1-CB 3.8Å; Y33-A38 HydrophobicContact CE2-CB 4.46Å |
| 39 | L | 75.7 | Confident | 72.4 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 37% | 0.372 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.1 | 178 | -68.6 | 172.2 | 0 | 0 | 0 | 110 | G32 K34 F37 Y41 | G32-L39 PolarHBondContact N-O 3.33Å; G32-L39 PolarHBondContact O-N 3.13Å; G32-L39 VanDerWaalsContact O-O 3.11Å; K34-L39 HydrophobicContact CB-CD1 3.55Å; K34-L39 HydrophobicContact CD-CD1 4.29Å; F37-L39 PolarHBondContact O-N 3.18Å; L39-Y41 HydrophobicContact CB-CE2 4.35Å |
| 40 | S | 73.6 | Confident | 72 | Confident | 101 Ų | 101 | 98.7 Ų | 98.7 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.6 | 170.4 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | T30 | T30-S40 CarbonylContact O-C 3.52Å; T30-S40 WeakPolarHBondContact O-CA 3.35Å |
| 41 | Y | 74.8 | Confident | 71.3 | Confident | 121 Ų | 121 | 102.4 Ų | 102.4 | 48% | 0.475 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 135.9 | 172.3 | -59.4 | -75.7 | 0 | 0 | 0 | 109.4 | T30 L39 | T30-Y41 WeakPolarHBondContact CB-O 3.45Å; T30-Y41 PolarHBondContact O-N 3.46Å; L39-Y41 HydrophobicContact CB-CE2 4.35Å |
| 42 | R | 66.3 | Low | 70.4 | Confident | 241 Ų | 241 | 99 Ų | 99 | 91% | 0.909 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 127.6 | 172.4 | -74.2 | -173.6 | 179.1 | 170.8 | 0.7 | 109.1 | S44 | R42-S44 PolarHBondContact O-N 3.32Š|
| 43 | P | 67.1 | Low | 69.2 | Low | 64 Ų | 64 | 102.3 Ų | 102.3 | 42% | 0.416 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -64 | 127.7 | 175.8 | 21.9 | -27.5 | 0 | 0 | 0 | 109.4 | T30 L52 | T30-P43 HydrophobicContact CG2-CB 3.51Å; T30-P43 HydrophobicContact CG2-CG 3.86Å; P43-L52 HydrophobicContact CB-CD1 4.04Å; P43-L52 HydrophobicContact CG-CD1 4.19Å; P43-L52 WeakPolarHBondContact O-CD1 3.13Å |
| 44 | S | 64.1 | Low | 68 | Low | 89 Ų | 89 | 97 Ų | 97 | 62% | 0.622 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -85.7 | -16.4 | 168.4 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | R42 L52 | R42-S44 PolarHBondContact O-N 3.32Å; S44-L52 PolarHBondContact O-N 3.37Å |
| 45 | V | 69.4 | Low | 66.9 | Low | 38 Ų | 38 | 99.3 Ų | 99.3 | 23% | 0.23 | 56% | 0.558 | C | S | . | * | B | Isolated β-bridge | trans | -144.4 | 141.3 | -171.1 | -163.1 | 0 | 0 | 0 | 0 | 110.4 | S28 K49 E50 | S28-V45 PolarHBondContact OG-O 3.31Å; S28-V45 VanDerWaalsContact OG-O 3.05Å; V45-K49 HydrophobicContact CG1-CB 4.39Å; V45-K49 HydrophobicContact CG1-CG 4.5Å; V45-K49 WeakPolarHBondContact CG1-O 3.49Å; V45-E50 WeakPolarHBondContact CA-O 3.33Å; V45-E50 VanDerWaalsContact CG1-C 3.47Å; V45-E50 WeakPolarHBondContact CG1-O 3.08Å |
| 46 | V | 68.3 | Low | 66.1 | Low | 62 Ų | 62 | 97.9 Ų | 97.9 | 38% | 0.376 | 56% | 0.557 | S | S | . | * | trans | -81.7 | 169.8 | 175.5 | -163.7 | 0 | 0 | 0 | 0 | 110.8 | G48 K49 E50 L52 | V46-G48 PolarHBondContact O-N 3.48Å; V46-K49 PolarHBondContact O-N 3.23Å; V46-K49 VanDerWaalsContact O-N 3.14Å; V46-E50 PolarHBondContact N-O 3.16Å; V46-L52 HydrophobicContact CG2-CD1 4.22Å; V46-L52 HydrophobicContact CG2-CD2 3.32Å; V46-L52 HydrophobicContact CG2-CG 3.44Å; V46-L52 VanDerWaalsContact CG2-CG 3.44Å | ||
| 47 | I | 67.6 | Low | 65.1 | Low | 73 Ų | 73 | 99.7 Ų | 99.7 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.4 | 120.9 | 172.3 | -57.4 | 175.8 | 0 | 0 | 0 | 110.2 | K22 H26 R27 | K22-I47 WeakPolarHBondContact CE-O 3.43Å; K22-I47 PolarHBondContact NZ-O 3.07Å; H26-I47 WeakPolarHBondContact O-CA 3.43Å; R27-I47 HydrophobicContact CG-CG1 4.31Å |
| 48 | G | 69.5 | Low | 64.9 | Low | 13 Ų | 13 | 96.3 Ų | 96.3 | 13% | 0.134 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 13.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | A24 H26 V46 E50 | A24-G48 WeakPolarHBondContact O-CA 3.47Å; H26-G48 VanDerWaalsContact NE2-C 3.34Å; H26-G48 PolarHBondContact O-N 3.12Å; H26-G48 VanDerWaalsContact O-N 3.11Å; V46-G48 PolarHBondContact O-N 3.48Å; G48-E50 VanDerWaalsContact C-N 3.33Å |
| 49 | K | 67.1 | Low | 64 | Low | 160 Ų | 160 | 100.6 Ų | 100.6 | 70% | 0.696 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 73.6 | 15.5 | 175.6 | -104.4 | 163.5 | -154 | -169.2 | 0 | 115.3 | H26 V45 V46 | H26-K49 PolarHBondContact CE1-N 2.87Å; H26-K49 WeakPolarHBondContact NE2-CA 3.37Å; H26-K49 WeakPolarHBondContact NE2-CB 3.15Å; H26-K49 VanDerWaalsContact NE2-CD 3.35Å; H26-K49 WeakPolarHBondContact NE2-CD 3.41Å; H26-K49 WeakPolarHBondContact NE2-CG 3.3Å; H26-K49 PolarHBondContact NE2-N 3.5Å; V45-K49 HydrophobicContact CG1-CB 4.39Å; V45-K49 HydrophobicContact CG1-CG 4.5Å; V45-K49 WeakPolarHBondContact CG1-O 3.49Å; V46-K49 PolarHBondContact O-N 3.23Å; V46-K49 VanDerWaalsContact O-N 3.14Å |
| 50 | E | 66.7 | Low | 63.1 | Low | 83 Ų | 83 | 104 Ų | 104 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -75 | 123.4 | 173.5 | -76 | 161.6 | -163 | 0 | 0 | 110.9 | K22 V45 V46 G48 L52 | K22-E50 IonicContact NZ-OE1 2.68Å; K22-E50 PolarHBondContact NZ-OE1 3.23Å; K22-E50 IonicContact NZ-OE2 2.99Å; K22-E50 PolarHBondContact NZ-OE2 3.14Å; V45-E50 WeakPolarHBondContact CA-O 3.33Å; V45-E50 VanDerWaalsContact CG1-C 3.47Å; V45-E50 WeakPolarHBondContact CG1-O 3.08Å; V46-E50 PolarHBondContact N-O 3.16Å; G48-E50 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 3.44Å |
| 51 | V | 62.5 | Low | 62.3 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 75% | 0.745 | 55% | 0.55 | S | S | * | . | B | Isolated β-bridge | trans | -64.3 | 130.2 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | A53 | V51-A53 PolarHBondContact O-N 3.32Å |
| 52 | L | 61.8 | Low | 61.6 | Low | 62 Ų | 62 | 101.5 Ų | 101.5 | 33% | 0.325 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 120.4 | 173.5 | -83.2 | 158.9 | 0 | 0 | 0 | 109.1 | P43 S44 V46 E50 A54 | P43-L52 HydrophobicContact CB-CD1 4.04Å; P43-L52 HydrophobicContact CG-CD1 4.19Å; P43-L52 WeakPolarHBondContact O-CD1 3.13Å; S44-L52 PolarHBondContact O-N 3.37Å; V46-L52 HydrophobicContact CG2-CD1 4.22Å; V46-L52 HydrophobicContact CG2-CD2 3.32Å; V46-L52 HydrophobicContact CG2-CG 3.44Å; V46-L52 VanDerWaalsContact CG2-CG 3.44Å; E50-L52 PolarHBondContact O-N 3.44Å; L52-A54 PolarHBondContact O-N 2.76Å |
| 53 | A | 54.3 | Low | 61.1 | Low | 95 Ų | 95 | 95.5 Ų | 95.5 | 79% | 0.785 | 53% | 0.533 | S | S | * | . | trans | -73.9 | 47.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V51 | V51-A53 PolarHBondContact O-N 3.32Š| ||
| 54 | A | 55.3 | Low | 60.6 | Low | 74 Ų | 74 | 100.9 Ų | 100.9 | 61% | 0.612 | 55% | 0.55 | S | S | * | . | trans | -109.4 | 107.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | L52 | L52-A54 PolarHBondContact O-N 2.76Š| ||
| 55 | E | 54 | Low | 60.1 | Low | 179 Ų | 179 | 102.9 Ų | 102.9 | 84% | 0.836 | 55% | 0.553 | S | S | * | * | trans | -53.4 | 124.2 | 175.7 | -67.4 | 178.1 | 153.8 | 0 | 0 | 109 | L57 | E55-L57 PolarHBondContact O-N 3.38Å; E55-L57 VanDerWaalsContact O-N 3.12Å | ||
| 56 | P | 56.3 | Low | 59 | Low | 116 Ų | 116 | 104.9 Ų | 104.9 | 75% | 0.753 | 57% | 0.567 | S | S | * | * | trans | -64.1 | 117 | 167.2 | 26.1 | -29.5 | 0 | 0 | 0 | 106.9 | T58 | P56-T58 PolarHBondContact O-N 3.34Å; P56-T58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | L | 52.3 | Low | 57.9 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 53% | 0.534 | 59% | 0.592 | S | S | . | * | trans | -44.7 | 123.3 | 172.8 | -72.1 | 163.3 | 0 | 0 | 0 | 108.8 | E55 E61 I62 | E55-L57 PolarHBondContact O-N 3.38Å; E55-L57 VanDerWaalsContact O-N 3.12Å; L57-E61 WeakPolarHBondContact CA-OE2 3.47Å; L57-E61 HydrophobicContact CB-CB 4.48Å; L57-E61 HydrophobicContact CD2-CB 4.06Å; L57-I62 HydrophobicContact CB-CG1 4.16Å | ||
| 58 | T | 59.9 | Low | 56.7 | Low | 83 Ų | 83 | 117.1 Ų | 117.1 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | trans | -65.1 | 150.4 | 177.7 | 40.4 | 0 | 0 | 0 | 0 | 109.1 | P56 H60 E61 I62 | P56-T58 PolarHBondContact O-N 3.34Å; P56-T58 VanDerWaalsContact O-N 3.13Å; T58-H60 PolarHBondContact O-N 2.99Å; T58-E61 PolarHBondContact N-OE2 3.15Å; T58-E61 PolarHBondContact O-N 2.85Å; T58-E61 PolarHBondContact OG1-OE2 3.38Å; T58-I62 PolarHBondContact O-N 2.98Å | ||
| 59 | H | 57.8 | Low | 55.5 | Low | 163 Ų | 163 | 121.8 Ų | 121.8 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -48.2 | -32.8 | 179.2 | -116.2 | 63.9 | 0 | 0 | 0 | 112.3 | E61 I62 D63 | H59-E61 PolarHBondContact O-N 3.45Å; H59-I62 PolarHBondContact O-N 2.88Å; H59-D63 PolarHBondContact O-N 3.33Å; H59-D63 VanDerWaalsContact O-N 3.17Å |
| 60 | H | 56.2 | Low | 54.4 | Low | 142 Ų | 142 | 120.4 Ų | 120.4 | 66% | 0.657 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67 | -31 | 178.5 | -159.1 | -5.5 | 0 | 0 | 0 | 114.5 | T58 K64 | T58-H60 PolarHBondContact O-N 2.99Å; H60-K64 PolarHBondContact O-N 3.2Å |
| 61 | E | 57.8 | Low | 53.2 | Low | 88 Ų | 88 | 126.8 Ų | 126.8 | 41% | 0.411 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -81.2 | -26.9 | 177.7 | -66.3 | 169.7 | 137.4 | 0 | 0 | 111.9 | L57 T58 H59 K64 | L57-E61 WeakPolarHBondContact CA-OE2 3.47Å; L57-E61 HydrophobicContact CB-CB 4.48Å; L57-E61 HydrophobicContact CD2-CB 4.06Å; T58-E61 PolarHBondContact N-OE2 3.15Å; T58-E61 PolarHBondContact O-N 2.85Å; T58-E61 PolarHBondContact OG1-OE2 3.38Å; H59-E61 PolarHBondContact O-N 3.45Å; E61-K64 PolarHBondContact O-N 2.85Å |
| 62 | I | 58.8 | Low | 52.3 | Low | 82 Ų | 82 | 127.1 Ų | 127.1 | 42% | 0.421 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -69 | -44 | 173.3 | -58.7 | 173.8 | 0 | 0 | 0 | 109.8 | L57 T58 H59 K64 L65 | L57-I62 HydrophobicContact CB-CG1 4.16Å; T58-I62 PolarHBondContact O-N 2.98Å; H59-I62 PolarHBondContact O-N 2.88Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.41Å; I62-L65 PolarHBondContact O-N 3.13Å |
| 63 | D | 55.3 | Low | 51.8 | Low | 114 Ų | 114 | 130 Ų | 130 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -61.5 | -32.8 | 175.2 | -90 | -6.6 | 0 | 0 | 0 | 112.6 | H59 L65 C66 | H59-D63 PolarHBondContact O-N 3.33Å; H59-D63 VanDerWaalsContact O-N 3.17Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; D63-C66 PolarHBondContact O-N 2.91Å |
| 64 | K | 57 | Low | 51.5 | Low | 177 Ų | 177 | 135.4 Ų | 135.4 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -17.2 | 178.7 | -115.2 | -179 | 179.9 | 178.8 | 0 | 114.4 | H60 E61 I62 | H60-K64 PolarHBondContact O-N 3.2Å; E61-K64 PolarHBondContact O-N 2.85Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.41Å |
| 65 | L | 53.4 | Low | 51.1 | Low | 131 Ų | 131 | 139.1 Ų | 139.1 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -8.3 | 177.1 | -73.7 | 165.3 | 0 | 0 | 0 | 112.4 | I62 D63 F67 | I62-L65 PolarHBondContact O-N 3.13Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 3.35Å; L65-F67 PolarHBondContact O-N 3.05Å |
| 66 | C | 47.2 | Very low | 50.7 | Low | 80 Ų | 80 | 139.8 Ų | 139.8 | 54% | 0.541 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -77.5 | 117.6 | 167.5 | -73.7 | 0 | 0 | 0 | 0 | 108.6 | D63 E68 | D63-C66 PolarHBondContact O-N 2.91Å; C66-E68 PolarHBondContact O-N 3.45Å; C66-E68 VanDerWaalsContact O-N 3.07Å |
| 67 | F | 44.3 | Very low | 50.2 | Low | 203 Ų | 203 | 138.5 Ų | 138.5 | 89% | 0.89 | 70% | 0.697 | S | S | * | * | trans | -56.7 | 115.3 | 173.6 | -73.1 | -85.9 | 0 | 0 | 0 | 109.7 | L65 T69 | L65-F67 PolarHBondContact O-N 3.05Å; F67-T69 PolarHBondContact O-N 3.42Å | ||
| 68 | E | 42.2 | Very low | 50.2 | Low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | trans | -62.7 | 120.4 | 176.3 | -67.5 | 177.5 | 168.5 | 0 | 0 | 109.7 | C66 | C66-E68 PolarHBondContact O-N 3.45Å; C66-E68 VanDerWaalsContact O-N 3.07Å | ||
| 69 | T | 44.9 | Very low | 49.8 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | trans | -105.6 | 134.6 | 160.3 | 46.1 | 0 | 0 | 0 | 0 | 108.2 | F67 Y71 | F67-T69 PolarHBondContact O-N 3.42Å; T69-Y71 WeakPolarHBondContact O-CD1 3.27Å; T69-Y71 PolarHBondContact O-N 2.91Å | ||
| 70 | P | 44.1 | Very low | 50 | Low | 132 Ų | 132 | 148.8 Ų | 148.8 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 122.7 | -176.4 | 28.5 | -31.6 | 0 | 0 | 0 | 110.3 | ||
| 71 | Y | 42.2 | Very low | 50.8 | Low | 216 Ų | 216 | 150.3 Ų | 150.3 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 122.4 | 179.6 | 28.1 | -90.9 | 0 | 0 | 0 | 111.2 | T69 | T69-Y71 WeakPolarHBondContact O-CD1 3.27Å; T69-Y71 PolarHBondContact O-N 2.91Å |
| 72 | T | 42.4 | Very low | 51.7 | Low | 130 Ų | 130 | 154.8 Ų | 154.8 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 133.8 | 160.3 | 24.4 | 0 | 0 | 0 | 0 | 110 | ||
| 73 | V | 51 | Low | 52.7 | Low | 122 Ų | 122 | 155.6 Ų | 155.6 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -65 | 129.6 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 74 | Y | 49.6 | Very low | 54.1 | Low | 210 Ų | 210 | 152.2 Ų | 152.2 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 83.7 | 61 | -170.1 | -46.7 | -72.6 | 0 | 0 | 0 | 115.7 | ||
| 75 | D | 45.5 | Very low | 55.2 | Low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | -163.4 | 133.1 | 128.9 | -86.7 | -33.3 | 0 | 0 | 0 | 106.8 | P77 | D75-P77 WeakPolarHBondContact O-CD 3.42Š| |||
| 76 | K | 47 | Very low | 56.4 | Low | 194 Ų | 194 | 145.6 Ų | 145.6 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -63.5 | 126.9 | 165.1 | -83.6 | 176.3 | 175.5 | 175.6 | 0 | 105.5 | E78 | K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.49Å | ||
| 77 | P | 44.3 | Very low | 58.2 | Low | 89 Ų | 89 | 145.8 Ų | 145.8 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | trans | -63.7 | 103.2 | 164 | 26.4 | -29.7 | 0 | 0 | 0 | 106 | D75 Y79 | D75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-Y79 HydrophobicContact CB-CE2 4.25Å; P77-Y79 HydrophobicContact CG-CD2 4.46Å; P77-Y79 HydrophobicContact CG-CE2 3.87Å; P77-Y79 WeakPolarHBondContact O-CD2 3.24Å; P77-Y79 PolarHBondContact O-N 3.43Å | ||
| 78 | E | 53 | Low | 60.2 | Low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | -61.8 | 97 | 157.2 | -75.1 | -175.9 | 166.8 | 0 | 0 | 104.8 | K76 E80 | K76-E78 VanDerWaalsContact C-N 3.3Å; K76-E78 PolarHBondContact O-N 3.49Å; E78-E80 PolarHBondContact O-N 3.02Å | ||
| 79 | Y | 51 | Low | 62.3 | Low | 200 Ų | 200 | 131.4 Ų | 131.4 | 78% | 0.784 | 67% | 0.666 | S | S | * | * | trans | -62.6 | 99.4 | 163.4 | -69 | -86.4 | 0 | 0 | 0 | 105.2 | P77 E81 | P77-Y79 HydrophobicContact CB-CE2 4.25Å; P77-Y79 HydrophobicContact CG-CD2 4.46Å; P77-Y79 HydrophobicContact CG-CE2 3.87Å; P77-Y79 WeakPolarHBondContact O-CD2 3.24Å; P77-Y79 PolarHBondContact O-N 3.43Å; Y79-E81 PolarHBondContact O-N 3.38Å; Y79-E81 VanDerWaalsContact O-N 3.08Å | ||
| 80 | E | 63.5 | Low | 64.3 | Low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 65% | 0.653 | S | S | * | * | trans | -55.1 | 120 | 163.2 | -72.1 | -166.2 | 167.7 | 0 | 0 | 106.2 | E78 F82 | E78-E80 PolarHBondContact O-N 3.02Å; E80-F82 PolarHBondContact O-N 2.72Å; E80-F82 VanDerWaalsContact O-N 3.16Å | ||
| 81 | E | 71.2 | Confident | 66.3 | Low | 174 Ų | 174 | 131.9 Ų | 131.9 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | trans | -54.2 | 126.5 | 174.8 | -70.3 | -176.1 | 164.8 | 0 | 0 | 107.4 | Y79 I83 | Y79-E81 PolarHBondContact O-N 3.38Å; Y79-E81 VanDerWaalsContact O-N 3.08Å; E81-I83 WeakPolarHBondContact O-CG1 3.19Å; E81-I83 PolarHBondContact O-N 3.19Å | ||
| 82 | F | 78 | Confident | 68.7 | Low | 182 Ų | 182 | 125.9 Ų | 125.9 | 80% | 0.798 | 63% | 0.626 | S | S | * | * | trans | -62.6 | 104.1 | 176.4 | 169.8 | -100.9 | 0 | 0 | 0 | 108.6 | E80 P84 | E80-F82 PolarHBondContact O-N 2.72Å; E80-F82 VanDerWaalsContact O-N 3.16Å; F82-P84 HydrophobicContact CD1-CG 4.47Å; F82-P84 HydrophobicContact CE1-CB 4.49Å; F82-P84 HydrophobicContact CE1-CG 4.07Å; F82-P84 WeakPolarHBondContact O-CD 3.49Å | ||
| 83 | I | 80.4 | Confident | 71.2 | Confident | 99 Ų | 99 | 121.4 Ų | 121.4 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | trans | -90.2 | 117.2 | 173.7 | -56.3 | 175.5 | 0 | 0 | 0 | 107.3 | E81 V87 A88 | E81-I83 WeakPolarHBondContact O-CG1 3.19Å; E81-I83 PolarHBondContact O-N 3.19Å; I83-V87 HydrophobicContact CG2-CB 3.74Å; I83-V87 HydrophobicContact CG2-CG1 3.81Å; I83-A88 HydrophobicContact CB-CB 4.41Å; I83-A88 HydrophobicContact CG2-CB 3.79Å | ||
| 84 | P | 84.6 | Confident | 73.3 | Confident | 42 Ų | 42 | 115.6 Ų | 115.6 | 27% | 0.273 | 56% | 0.564 | S | S | . | * | trans | -57.3 | 146.4 | 174.8 | -24.8 | 34.8 | 0 | 0 | 0 | 111.7 | F82 H86 V87 A88 | F82-P84 HydrophobicContact CD1-CG 4.47Å; F82-P84 HydrophobicContact CE1-CB 4.49Å; F82-P84 HydrophobicContact CE1-CG 4.07Å; F82-P84 WeakPolarHBondContact O-CD 3.49Å; P84-H86 WeakPolarHBondContact CB-CE1 3.44Å; P84-H86 WeakPolarHBondContact CB-ND1 3.32Å; P84-H86 PolarHBondContact O-N 2.93Å; P84-H86 VanDerWaalsContact O-N 3.15Å; P84-V87 HydrophobicContact CB-CG2 4.36Å; P84-V87 HydrophobicContact CG-CG2 4.46Å; P84-V87 WeakPolarHBondContact O-CA 3.1Å; P84-V87 WeakPolarHBondContact O-CB 3.37Å; P84-V87 PolarHBondContact O-N 3.4Å; P84-A88 PolarHBondContact O-N 3Å | ||
| 85 | A | 78.6 | Confident | 75.6 | Confident | 62 Ų | 62 | 109.1 Ų | 109.1 | 51% | 0.512 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -52.9 | -40 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V87 A88 L89 | A85-V87 PolarHBondContact O-N 3.44Å; A85-A88 PolarHBondContact O-N 3.41Å; A85-L89 HydrophobicContact CB-CD1 4.41Å; A85-L89 VanDerWaalsContact O-CB 3.27Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.16Å |
| 86 | H | 79.7 | Confident | 78 | Confident | 108 Ų | 108 | 102 Ų | 102 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -20.4 | 177.6 | 69.2 | -91.1 | 0 | 0 | 0 | 113.9 | P84 E124 | P84-H86 WeakPolarHBondContact CB-CE1 3.44Å; P84-H86 WeakPolarHBondContact CB-ND1 3.32Å; P84-H86 PolarHBondContact O-N 2.93Å; P84-H86 VanDerWaalsContact O-N 3.15Å; H86-E124 HydrophobicContact CB-CG 3.91Å |
| 87 | V | 84.8 | Confident | 80.3 | Confident | 83 Ų | 83 | 96 Ų | 96 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -92.7 | -43.6 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | I83 P84 A85 L89 | I83-V87 HydrophobicContact CG2-CB 3.74Å; I83-V87 HydrophobicContact CG2-CG1 3.81Å; P84-V87 HydrophobicContact CB-CG2 4.36Å; P84-V87 HydrophobicContact CG-CG2 4.46Å; P84-V87 WeakPolarHBondContact O-CA 3.1Å; P84-V87 WeakPolarHBondContact O-CB 3.37Å; P84-V87 PolarHBondContact O-N 3.4Å; A85-V87 PolarHBondContact O-N 3.44Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.84Å |
| 88 | A | 85.3 | Confident | 82.7 | Confident | 44 Ų | 44 | 91.9 Ų | 91.9 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.6 | -30.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I83 P84 A85 K92 | I83-A88 HydrophobicContact CB-CB 4.41Å; I83-A88 HydrophobicContact CG2-CB 3.79Å; P84-A88 PolarHBondContact O-N 3Å; A85-A88 PolarHBondContact O-N 3.41Å; A88-K92 PolarHBondContact O-NZ 3.11Å |
| 89 | L | 87.1 | Confident | 84.7 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 11.2 | -176.6 | -55.8 | 172.4 | 0 | 0 | 0 | 112.6 | A85 V87 K91 K92 L123 | A85-L89 HydrophobicContact CB-CD1 4.41Å; A85-L89 VanDerWaalsContact O-CB 3.27Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.16Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 2.84Å; L89-K91 PolarHBondContact O-N 2.98Å; L89-K92 HydrophobicContact CD2-CD 4.05Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-K92 VanDerWaalsContact O-N 3.14Å; L89-L123 HydrophobicContact CB-CB 4Å; L89-L123 HydrophobicContact CD1-CB 4.2Å; L89-L123 WeakPolarHBondContact CD1-O 3.11Å; L89-L123 HydrophobicContact CG-CB 4.47Å |
| 90 | D | 86.3 | Confident | 86.8 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 134.5 | 175.8 | -176.9 | 34.5 | 0 | 0 | 0 | 110.5 | K92 | D90-K92 PolarHBondContact O-N 3.23Š|
| 91 | K | 87.3 | Confident | 88.2 | Confident | 175 Ų | 175 | 72 Ų | 72 | 76% | 0.761 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 2.9 | -177.8 | -57.1 | 169.1 | -168.4 | 169.2 | 0 | 116.4 | L89 V93 | L89-K91 PolarHBondContact O-N 2.98Å; K91-V93 PolarHBondContact O-N 3.2Å |
| 92 | K | 91.4 | Very high | 89.1 | Confident | 90 Ų | 90 | 67 Ų | 67 | 39% | 0.391 | 34% | 0.335 | S | S | . | . | trans | -80.7 | 110.4 | 170.7 | -60.8 | -172.9 | -174.5 | 170.4 | 0 | 108.7 | A88 L89 D90 L123 F186 | A88-K92 PolarHBondContact O-NZ 3.11Å; L89-K92 HydrophobicContact CD2-CD 4.05Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-K92 VanDerWaalsContact O-N 3.14Å; D90-K92 PolarHBondContact O-N 3.23Å; K92-L123 HydrophobicContact CB-CB 4.44Å; K92-L123 HydrophobicContact CB-CD1 3.85Å; K92-L123 WeakPolarHBondContact O-CB 3.39Å; K92-L123 PolarHBondContact O-N 3.14Å; K92-F186 HydrophobicContact CB-CE1 4.48Å; K92-F186 HydrophobicContact CB-CZ 4.09Å; K92-F186 HydrophobicContact CG-CZ 4.36Å | ||
| 93 | V | 95.4 | Very high | 89.7 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | K91 Y120 Y121 Y122 F186 | K91-V93 PolarHBondContact O-N 3.2Å; V93-Y120 HydrophobicContact CG1-CD1 3.91Å; V93-Y120 HydrophobicContact CG1-CG 4.4Å; V93-Y121 CarbonylContact C-O 3.36Å; V93-Y121 WeakPolarHBondContact CA-O 3.37Å; V93-Y121 WeakPolarHBondContact CG1-O 3.37Å; V93-Y122 HydrophobicContact CB-CD1 4.48Å; V93-Y122 HydrophobicContact CG1-CD1 4.13Å; V93-Y122 HydrophobicContact CG1-CE1 4.14Å; V93-Y122 HydrophobicContact CG1-CG 4.39Å; V93-Y122 HydrophobicContact CG2-CD1 3.52Å; V93-Y122 HydrophobicContact CG2-CE1 3.78Å; V93-Y122 HydrophobicContact CG2-CG 4.34Å; V93-F186 WeakPolarHBondContact O-CD1 3.37Å; V93-F186 WeakPolarHBondContact O-CE1 3.42Å |
| 94 | L | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 132.3 | 171.6 | -52 | 177.9 | 0 | 0 | 0 | 109.1 | F96 Y120 Y121 L123 W162 F186 T187 F190 M191 | L94-F96 HydrophobicContact CB-CE2 3.94Å; L94-Y120 CarbonylContact O-C 3.54Å; L94-Y120 VanDerWaalsContact O-CA 3.31Å; L94-Y120 WeakPolarHBondContact O-CA 3.4Å; L94-Y121 HydrophobicContact CD1-CD1 4.27Å; L94-Y121 PolarHBondContact N-O 2.82Å; L94-Y121 PolarHBondContact O-N 2.95Å; L94-L123 HydrophobicContact CD1-CD2 3.95Å; L94-L123 HydrophobicContact CD1-CG 4.4Å; L94-L123 HydrophobicContact CD2-CD1 4.06Å; L94-L123 HydrophobicContact CG-CD1 4.17Å; L94-L123 HydrophobicContact CG-CD2 4.2Å; L94-L123 HydrophobicContact CG-CG 4.1Å; L94-W162 HydrophobicContact CD1-CB 3.66Å; L94-W162 HydrophobicContact CD1-CG 4.46Å; L94-F186 HydrophobicContact CD2-CD1 4.41Å; L94-F186 HydrophobicContact CD2-CE1 3.98Å; L94-T187 HydrophobicContact CB-CG2 3.38Å; L94-T187 HydrophobicContact CD2-CG2 3.7Å; L94-T187 HydrophobicContact CG-CG2 4.12Å; L94-F190 HydrophobicContact CD1-CD1 4.04Å; L94-F190 HydrophobicContact CD1-CE1 4.05Å; L94-F190 HydrophobicContact CD2-CB 3.97Å; L94-F190 HydrophobicContact CD2-CD1 3.4Å; L94-F190 HydrophobicContact CD2-CE1 4.03Å; L94-F190 HydrophobicContact CD2-CG 3.73Å; L94-F190 HydrophobicContact CG-CD1 4.32Å; L94-M191 HydrophobicContact CD1-CE 3.86Å |
| 95 | R | 96.9 | Very high | 90.1 | Very high | 74 Ų | 74 | 68.3 Ų | 68.3 | 28% | 0.279 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.6 | -179.1 | -178.7 | -174.7 | -177.3 | -169.8 | -0.9 | 110.6 | Y97 T118 I119 Y120 D184 T187 | R95-Y97 PolarHBondContact NE-OH 3.05Å; R95-Y97 PolarHBondContact NH1-OH 3.02Å; R95-Y97 PolarHBondContact NH2-OH 2.83Å; R95-T118 HydrophobicContact CG-CG2 3.67Å; R95-I119 WeakPolarHBondContact CA-O 3.45Å; R95-Y120 HydrophobicContact CB-CD1 4.12Å; R95-Y120 HydrophobicContact CB-CE1 4.14Å; R95-Y120 HydrophobicContact CG-CD1 4.06Å; R95-Y120 HydrophobicContact CG-CE1 3.71Å; R95-D184 HydrophobicContact CB-CB 3.97Å; R95-D184 HydrophobicContact CG-CB 4.41Å; R95-D184 IonicContact NH1-OD2 2.81Å; R95-D184 PolarHBondContact O-N 2.98Å; R95-T187 PolarHBondContact O-OG1 2.66Å |
| 96 | F | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 146.1 | 174.6 | -61.3 | -86.7 | 0 | 0 | 0 | 110.6 | L94 T118 I119 L165 L167 I180 C183 M191 | L94-F96 HydrophobicContact CB-CE2 3.94Å; F96-T118 CarbonylContact O-C 3.5Å; F96-T118 WeakPolarHBondContact O-CA 3.35Å; F96-I119 HydrophobicContact CB-CB 4.24Å; F96-I119 PolarHBondContact N-O 3.23Å; F96-I119 PolarHBondContact O-N 3.02Å; F96-L165 HydrophobicContact CD2-CD1 4.3Å; F96-L165 HydrophobicContact CE2-CB 4.29Å; F96-L165 HydrophobicContact CE2-CD1 3.81Å; F96-L165 HydrophobicContact CZ-CB 4.11Å; F96-L165 HydrophobicContact CZ-CD1 4.44Å; F96-L167 HydrophobicContact CD1-CD2 4.45Å; F96-I180 HydrophobicContact CB-CG2 4.06Å; F96-I180 HydrophobicContact CD1-CG2 3.91Å; F96-I180 HydrophobicContact CG-CG2 4.32Å; F96-C183 HydrophobicContact CD1-CB 3.65Å; F96-C183 HydrophobicContact CE1-CB 3.97Å; F96-M191 HydrophobicContact CE2-CE 4.5Å; F96-M191 HydrophobicContact CZ-CE 3.65Å |
| 97 | Y | 96.2 | Very high | 90.2 | Very high | 69 Ų | 69 | 71 Ų | 71 | 27% | 0.271 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.8 | 169.9 | -57.1 | -74.5 | 0 | 0 | 0 | 108.8 | R95 T118 S181 D182 | R95-Y97 PolarHBondContact NE-OH 3.05Å; R95-Y97 PolarHBondContact NH1-OH 3.02Å; R95-Y97 PolarHBondContact NH2-OH 2.83Å; Y97-T118 HydrophobicContact CD1-CG2 4.43Å; Y97-T118 HydrophobicContact CE1-CG2 4.38Å; Y97-S181 PolarHBondContact O-N 3.12Å; Y97-S181 PolarHBondContact O-OG 3.05Å; Y97-S181 VanDerWaalsContact O-OG 3.08Å; Y97-D182 HydrophobicContact CD2-CB 4.18Å; Y97-D182 PolarHBondContact N-O 2.92Å; Y97-D182 PolarHBondContact O-N 2.89Å; Y97-D182 VanDerWaalsContact O-N 3.15Å |
| 98 | G | 94.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | -176.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | P116 V117 R179 | G98-P116 CarbonylContact O-C 3.19Å; G98-V117 PolarHBondContact N-O 3.36Å; G98-V117 PolarHBondContact O-N 3.3Å; G98-V117 VanDerWaalsContact O-O 3.05Å; G98-R179 CarbonylContact C-O 3.17Å; G98-R179 WeakPolarHBondContact CA-O 3.35Å |
| 99 | H | 94.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 3% | 0.032 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.2 | 175.3 | 63 | -79.1 | 0 | 0 | 0 | 110.3 | V114 R115 R179 T204 P205 | H99-V114 HydrophobicContact CB-CG1 3.96Å; H99-R115 VanDerWaalsContact CA-O 3.29Å; H99-R115 WeakPolarHBondContact CA-O 3.48Å; H99-R179 PolarHBondContact N-O 3.44Å; H99-R179 PolarHBondContact O-N 3.45Å; H99-T204 HydrophobicContact CB-CG2 3.89Å; H99-T204 VanDerWaalsContact ND1-CG2 3.34Å; H99-T204 WeakPolarHBondContact ND1-CG2 3.29Å; H99-P205 WeakPolarHBondContact CE1-CD 2.91Å; H99-P205 WeakPolarHBondContact NE2-CD 3.4Å; H99-P205 WeakPolarHBondContact NE2-CG 3.32Å |
| 100 | F | 94.4 | Very high | 89 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.4 | 167 | 70.9 | -79.9 | 0 | 0 | 0 | 109.5 | E102 R115 V117 R145 T176 T177 Y178 | F100-E102 HydrophobicContact CE2-CB 4.14Å; F100-R115 HydrophobicContact CD1-CB 4.04Å; F100-R115 HydrophobicContact CE1-CB 3.45Å; F100-R115 VanDerWaalsContact CE1-CB 3.45Å; F100-R115 HydrophobicContact CE1-CG 4.47Å; F100-R115 HydrophobicContact CE2-CB 4.28Å; F100-R115 HydrophobicContact CZ-CB 3.59Å; F100-R115 HydrophobicContact CZ-CG 4.13Å; F100-R115 PolarHBondContact N-O 2.86Å; F100-R115 VanDerWaalsContact N-O 3.09Å; F100-R115 PolarHBondContact O-N 3.01Å; F100-V117 HydrophobicContact CD1-CG1 3.83Å; F100-V117 HydrophobicContact CE1-CG1 3.8Å; F100-R145 VanDerWaalsContact CZ-NH1 3.31Å; F100-T176 HydrophobicContact CB-CG2 3.97Å; F100-T176 HydrophobicContact CD2-CG2 3.79Å; F100-T176 HydrophobicContact CE2-CG2 4.49Å; F100-T176 HydrophobicContact CG-CG2 3.89Å; F100-T177 VanDerWaalsContact CB-O 3.25Å; F100-T177 WeakPolarHBondContact CB-O 3.34Å; F100-Y178 HydrophobicContact CB-CD1 3.91Å; F100-Y178 HydrophobicContact CB-CE1 4.25Å; F100-Y178 AromaticContact CD1-CD1 3.89Å; F100-Y178 HydrophobicContact CD1-CD1 3.89Å; F100-Y178 AromaticContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CE1-CE1 4.25Å; F100-Y178 HydrophobicContact CG-CD1 4.2Å; F100-Y178 HydrophobicContact CG-CE1 4.06Å |
| 101 | K | 92.5 | Very high | 89.1 | Confident | 132 Ų | 132 | 72 Ų | 72 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.9 | 177.5 | -65.2 | -179.7 | -176.9 | 173.3 | 0 | 109 | R113 | K101-R113 WeakPolarHBondContact CA-O 3.4Å |
| 102 | E | 91.1 | Very high | 89.3 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.6 | 176.5 | -174.1 | 172 | -172 | 0 | 0 | 108.6 | F100 Y112 R113 R115 | F100-E102 HydrophobicContact CE2-CB 4.14Å; E102-Y112 CarbonylContact O-C 3.57Å; E102-Y112 VanDerWaalsContact O-CA 3.26Å; E102-Y112 WeakPolarHBondContact O-CA 3.35Å; E102-R113 PolarHBondContact N-O 2.78Å; E102-R113 PolarHBondContact O-N 3.32Å; E102-R115 IonicContact OE1-NH1 3.66Å; E102-R115 WeakPolarHBondContact OE2-CD 3.18Å; E102-R115 IonicContact OE2-CZ 2.78Å; E102-R115 IonicContact OE2-NE 2.71Å; E102-R115 IonicContact OE2-NH1 2.85Å; E102-R115 PolarHBondContact OE2-NH1 3.27Å |
| 103 | E | 90 | Very high | 89.2 | Confident | 173 Ų | 173 | 66.7 Ų | 66.7 | 81% | 0.808 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.6 | 178.8 | -65 | -174.1 | 170.1 | 0 | 0 | 111 | ||
| 104 | I | 88.1 | Confident | 89 | Confident | 36 Ų | 36 | 65.5 Ų | 65.5 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | trans | -122.4 | 121.9 | -178.8 | -60.3 | -177.3 | 0 | 0 | 0 | 109.8 | E110 S111 R113 | I104-E110 HydrophobicContact CD1-CG 3.99Å; I104-S111 PolarHBondContact N-O 3.04Å; I104-R113 HydrophobicContact CD1-CB 4.39Å; I104-R113 VanDerWaalsContact CD1-CD 3.46Å; I104-R113 HydrophobicContact CD1-CG 3.54Å | ||
| 105 | L | 85.2 | Confident | 88.8 | Confident | 142 Ų | 142 | 66.4 Ų | 66.4 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -87.7 | 140 | 175 | -61.1 | 172.9 | 0 | 0 | 0 | 110.4 | S107 | L105-S107 PolarHBondContact O-N 2.83Š|
| 106 | H | 80.3 | Confident | 88.6 | Confident | 186 Ų | 186 | 65.4 Ų | 65.4 | 86% | 0.861 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 62.8 | 25.7 | 169.3 | -50.4 | -65.5 | 0 | 0 | 0 | 117.5 | ||
| 107 | S | 80.2 | Confident | 88.6 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 28% | 0.28 | 34% | 0.337 | S | S | . | . | trans | -93.6 | 128.5 | 169.5 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L105 A109 E110 | L105-S107 PolarHBondContact O-N 2.83Å; S107-A109 PolarHBondContact O-N 3.19Å; S107-A109 PolarHBondContact OG-N 3.38Å; S107-E110 WeakPolarHBondContact CB-O 3.29Å; S107-E110 PolarHBondContact OG-N 3.35Å | ||
| 108 | P | 78.4 | Confident | 88.6 | Confident | 133 Ų | 133 | 62.9 Ų | 62.9 | 86% | 0.864 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -70.3 | -17.2 | 171.4 | 28.9 | -33.3 | 0 | 0 | 0 | 112.1 | ||
| 109 | A | 73.5 | Confident | 88.7 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -92 | -25.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S107 R212 | S107-A109 PolarHBondContact O-N 3.19Å; S107-A109 PolarHBondContact OG-N 3.38Å; A109-R212 PolarHBondContact O-NH1 3.14Å |
| 110 | E | 81.3 | Confident | 88.8 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | trans | -164.2 | 158.3 | -175.2 | 68 | -157.2 | 139.2 | 0 | 0 | 111.8 | I104 S107 R113 Y209 | I104-E110 HydrophobicContact CD1-CG 3.99Å; S107-E110 WeakPolarHBondContact CB-O 3.29Å; S107-E110 PolarHBondContact OG-N 3.35Å; E110-R113 IonicContact OE1-CZ 3.96Å; E110-R113 IonicContact OE1-NE 2.83Å; E110-R113 PolarHBondContact OE1-NE 3.08Å; E110-R113 IonicContact OE1-NH2 3.68Å; E110-R113 PolarHBondContact OE1-NH2 3.23Å; E110-R113 WeakPolarHBondContact OE2-CG 3.33Å; E110-R113 IonicContact OE2-NE 3.61Å; E110-R113 PolarHBondContact OE2-NE 2.59Å; E110-Y209 WeakPolarHBondContact OE2-CB 3.22Å | ||
| 111 | S | 88.4 | Confident | 88.9 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -109.1 | -23.4 | 175.5 | -51.2 | 0 | 0 | 0 | 0 | 113.1 | I104 | I104-S111 PolarHBondContact N-O 3.04Š|
| 112 | Y | 89.9 | Confident | 89 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 157.7 | 174.9 | 66.6 | -89.4 | 0 | 0 | 0 | 109.5 | E102 V114 P208 | E102-Y112 CarbonylContact O-C 3.57Å; E102-Y112 VanDerWaalsContact O-CA 3.26Å; E102-Y112 WeakPolarHBondContact O-CA 3.35Å; Y112-V114 HydrophobicContact CD2-CG2 4.19Å; Y112-V114 HydrophobicContact CE2-CG2 3.92Å; Y112-P208 HydrophobicContact CE1-CG 4.27Å; Y112-P208 HydrophobicContact CE2-CG 4.12Å |
| 113 | R | 89.8 | Confident | 89.1 | Confident | 61 Ų | 61 | 58 Ų | 58 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150.1 | 171.7 | -73.9 | 179.2 | -168.1 | 150.1 | 3.6 | 111.1 | K101 E102 I104 E110 D207 | K101-R113 WeakPolarHBondContact CA-O 3.4Å; E102-R113 PolarHBondContact N-O 2.78Å; E102-R113 PolarHBondContact O-N 3.32Å; I104-R113 HydrophobicContact CD1-CB 4.39Å; I104-R113 VanDerWaalsContact CD1-CD 3.46Å; I104-R113 HydrophobicContact CD1-CG 3.54Å; E110-R113 IonicContact OE1-CZ 3.96Å; E110-R113 IonicContact OE1-NE 2.83Å; E110-R113 PolarHBondContact OE1-NE 3.08Å; E110-R113 IonicContact OE1-NH2 3.68Å; E110-R113 PolarHBondContact OE1-NH2 3.23Å; E110-R113 WeakPolarHBondContact OE2-CG 3.33Å; E110-R113 IonicContact OE2-NE 3.61Å; E110-R113 PolarHBondContact OE2-NE 2.59Å; R113-D207 WeakPolarHBondContact CA-OD2 2.94Å |
| 114 | V | 91.6 | Very high | 89.1 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 111.4 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | H99 Y112 P205 D207 | H99-V114 HydrophobicContact CB-CG1 3.96Å; Y112-V114 HydrophobicContact CD2-CG2 4.19Å; Y112-V114 HydrophobicContact CE2-CG2 3.92Å; V114-P205 HydrophobicContact CG1-CG 3.98Å; V114-P205 HydrophobicContact CG2-CG 4.14Å; V114-D207 HydrophobicContact CB-CB 4.2Å; V114-D207 PolarHBondContact N-OD2 3.37Å |
| 115 | R | 92.1 | Very high | 89.3 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.2 | -176.9 | -69.3 | 179.9 | 72.3 | 169.5 | 7.9 | 110.1 | H99 F100 E102 E132 P141 | H99-R115 VanDerWaalsContact CA-O 3.29Å; H99-R115 WeakPolarHBondContact CA-O 3.48Å; F100-R115 HydrophobicContact CD1-CB 4.04Å; F100-R115 HydrophobicContact CE1-CB 3.45Å; F100-R115 VanDerWaalsContact CE1-CB 3.45Å; F100-R115 HydrophobicContact CE1-CG 4.47Å; F100-R115 HydrophobicContact CE2-CB 4.28Å; F100-R115 HydrophobicContact CZ-CB 3.59Å; F100-R115 HydrophobicContact CZ-CG 4.13Å; F100-R115 PolarHBondContact N-O 2.86Å; F100-R115 VanDerWaalsContact N-O 3.09Å; F100-R115 PolarHBondContact O-N 3.01Å; E102-R115 IonicContact OE1-NH1 3.66Å; E102-R115 WeakPolarHBondContact OE2-CD 3.18Å; E102-R115 IonicContact OE2-CZ 2.78Å; E102-R115 IonicContact OE2-NE 2.71Å; E102-R115 IonicContact OE2-NH1 2.85Å; E102-R115 PolarHBondContact OE2-NH1 3.27Å; R115-E132 IonicContact CZ-OE1 3.84Å; R115-E132 IonicContact CZ-OE2 3.39Å; R115-E132 VanDerWaalsContact CZ-OE2 3.28Å; R115-E132 IonicContact NE-OE1 2.99Å; R115-E132 PolarHBondContact NE-OE1 3.14Å; R115-E132 IonicContact NE-OE2 2.89Å; R115-E132 PolarHBondContact NE-OE2 3.24Å; R115-E132 IonicContact NH2-OE1 3.27Å; R115-E132 PolarHBondContact NH2-OE1 3Å; R115-E132 IonicContact NH2-OE2 3.76Å; R115-E132 PolarHBondContact NH2-OE2 2.93Å; R115-P141 PolarHBondContact NH2-O 3.43Å |
| 116 | P | 93.2 | Very high | 89.6 | Confident | 53 Ų | 53 | 50 Ų | 50 | 34% | 0.344 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.5 | 177.6 | 29.5 | -34 | 0 | 0 | 0 | 110.1 | G98 P133 | G98-P116 CarbonylContact O-C 3.19Å; P116-P133 HydrophobicContact CB-CG 4.32Å; P116-P133 HydrophobicContact CG-CG 4.03Å; P116-P133 VanDerWaalsContact O-CD 3.23Å; P116-P133 WeakPolarHBondContact O-CD 3.28Å |
| 117 | V | 95.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.5 | 175.7 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | G98 F100 I119 I130 I131 Y178 | G98-V117 PolarHBondContact N-O 3.36Å; G98-V117 PolarHBondContact O-N 3.3Å; G98-V117 VanDerWaalsContact O-O 3.05Å; F100-V117 HydrophobicContact CD1-CG1 3.83Å; F100-V117 HydrophobicContact CE1-CG1 3.8Å; V117-I119 HydrophobicContact CG2-CG1 4.44Å; V117-I130 HydrophobicContact CB-CG2 3.8Å; V117-I130 HydrophobicContact CG1-CG2 4.06Å; V117-I130 HydrophobicContact CG2-CG2 4.16Å; V117-I131 CarbonylContact C-O 3.49Å; V117-Y178 HydrophobicContact CG1-CD1 4.42Å; V117-Y178 HydrophobicContact CG1-CE1 4.21Å; V117-Y178 HydrophobicContact CG2-CD1 3.74Å; V117-Y178 HydrophobicContact CG2-CE1 4.3Å |
| 118 | T | 96.4 | Very high | 91 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.1 | 168.7 | -52.2 | 0 | 0 | 0 | 0 | 108.3 | R95 F96 Y97 Y120 I131 | R95-T118 HydrophobicContact CG-CG2 3.67Å; F96-T118 CarbonylContact O-C 3.5Å; F96-T118 WeakPolarHBondContact O-CA 3.35Å; Y97-T118 HydrophobicContact CD1-CG2 4.43Å; Y97-T118 HydrophobicContact CE1-CG2 4.38Å; T118-Y120 HydrophobicContact CG2-CD2 4.25Å; T118-Y120 HydrophobicContact CG2-CE1 4.2Å; T118-Y120 HydrophobicContact CG2-CE2 3.57Å; T118-I131 PolarHBondContact N-O 3.2Å; T118-I131 PolarHBondContact O-N 3.19Å |
| 119 | I | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.4 | 179.6 | -59.6 | 156.7 | 0 | 0 | 0 | 107.2 | R95 F96 V117 M128 I130 L171 I180 | R95-I119 WeakPolarHBondContact CA-O 3.45Å; F96-I119 HydrophobicContact CB-CB 4.24Å; F96-I119 PolarHBondContact N-O 3.23Å; F96-I119 PolarHBondContact O-N 3.02Å; V117-I119 HydrophobicContact CG2-CG1 4.44Å; I119-M128 HydrophobicContact CG2-CE 3.56Å; I119-I130 HydrophobicContact CG1-CD1 4.13Å; I119-I130 HydrophobicContact CG1-CG1 4.06Å; I119-I130 HydrophobicContact CG1-CG2 4.21Å; I119-I130 HydrophobicContact CG2-CG1 4.41Å; I119-L171 HydrophobicContact CD1-CD2 3.92Å; I119-L171 HydrophobicContact CG2-CD2 4.37Å; I119-I180 HydrophobicContact CD1-CG1 4.1Å |
| 120 | Y | 96.6 | Very high | 92.9 | Very high | 57 Ų | 57 | 31.6 Ų | 31.6 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.5 | 173.5 | -62.7 | -86.2 | 0 | 0 | 0 | 109.3 | V93 L94 R95 T118 M128 C129 I131 | V93-Y120 HydrophobicContact CG1-CD1 3.91Å; V93-Y120 HydrophobicContact CG1-CG 4.4Å; L94-Y120 CarbonylContact O-C 3.54Å; L94-Y120 VanDerWaalsContact O-CA 3.31Å; L94-Y120 WeakPolarHBondContact O-CA 3.4Å; R95-Y120 HydrophobicContact CB-CD1 4.12Å; R95-Y120 HydrophobicContact CB-CE1 4.14Å; R95-Y120 HydrophobicContact CG-CD1 4.06Å; R95-Y120 HydrophobicContact CG-CE1 3.71Å; T118-Y120 HydrophobicContact CG2-CD2 4.25Å; T118-Y120 HydrophobicContact CG2-CE1 4.2Å; T118-Y120 HydrophobicContact CG2-CE2 3.57Å; Y120-M128 CarbonylContact O-C 3.54Å; Y120-M128 WeakPolarHBondContact O-CA 3.43Å; Y120-M128 WeakPolarHBondContact O-CB 3.43Å; Y120-C129 PolarHBondContact N-O 2.77Å; Y120-C129 PolarHBondContact O-N 3.34Å; Y120-I131 HydrophobicContact CD2-CD1 4.08Å; Y120-I131 HydrophobicContact CD2-CG1 4.3Å; Y120-I131 HydrophobicContact CE2-CB 4.44Å; Y120-I131 HydrophobicContact CE2-CD1 3.83Å; Y120-I131 HydrophobicContact CE2-CG1 4.22Å |
| 121 | Y | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.3 | 172.8 | -175.8 | -71.6 | 0 | 0 | 0 | 108.5 | V93 L94 L123 D126 S127 M128 N161 W162 L165 | V93-Y121 CarbonylContact C-O 3.36Å; V93-Y121 WeakPolarHBondContact CA-O 3.37Å; V93-Y121 WeakPolarHBondContact CG1-O 3.37Å; L94-Y121 HydrophobicContact CD1-CD1 4.27Å; L94-Y121 PolarHBondContact N-O 2.82Å; L94-Y121 PolarHBondContact O-N 2.95Å; Y121-L123 HydrophobicContact CD1-CD2 4.22Å; Y121-L123 HydrophobicContact CE1-CD2 4.12Å; Y121-D126 WeakPolarHBondContact OH-CA 3.45Å; Y121-D126 VanDerWaalsContact OH-CB 3.28Å; Y121-D126 WeakPolarHBondContact OH-CB 3.45Å; Y121-D126 PolarHBondContact OH-OD1 3.28Å; Y121-D126 VanDerWaalsContact OH-OD1 3.08Å; Y121-S127 WeakPolarHBondContact CA-O 3.41Å; Y121-M128 HydrophobicContact CD2-CE 4.15Å; Y121-M128 HydrophobicContact CD2-CG 3.28Å; Y121-M128 HydrophobicContact CD2-SD 3.59Å; Y121-M128 VanDerWaalsContact CD2-SD 3.59Å; Y121-M128 HydrophobicContact CE2-CG 3.87Å; Y121-M128 HydrophobicContact CE2-SD 3.99Å; Y121-M128 HydrophobicContact CG-CG 4.01Å; Y121-N161 WeakPolarHBondContact OH-CA 3.41Å; Y121-W162 HydrophobicContact CD1-CB 4.04Å; Y121-W162 HydrophobicContact CE1-CB 3.74Å; Y121-W162 AromaticContact CE1-CD1 3.99Å; Y121-W162 HydrophobicContact CE1-CG 4.29Å; Y121-W162 HydrophobicContact CE2-CB 4.38Å; Y121-W162 VanDerWaalsContact CZ-N 3.26Å; Y121-W162 PolarHBondContact OH-N 2.83Å; Y121-L165 HydrophobicContact CD2-CD1 3.84Å; Y121-L165 HydrophobicContact CG-CD1 4.44Å |
| 122 | Y | 95.6 | Very high | 93.9 | Very high | 50 Ų | 50 | 29 Ų | 29 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.2 | -177.2 | -61.5 | -97.4 | 0 | 0 | 0 | 108.8 | V93 E124 D125 D126 S127 C129 R148 | V93-Y122 HydrophobicContact CB-CD1 4.48Å; V93-Y122 HydrophobicContact CG1-CD1 4.13Å; V93-Y122 HydrophobicContact CG1-CE1 4.14Å; V93-Y122 HydrophobicContact CG1-CG 4.39Å; V93-Y122 HydrophobicContact CG2-CD1 3.52Å; V93-Y122 HydrophobicContact CG2-CE1 3.78Å; V93-Y122 HydrophobicContact CG2-CG 4.34Å; Y122-E124 PolarHBondContact O-N 3.34Å; Y122-D125 WeakPolarHBondContact CB-OD1 3.39Å; Y122-D126 WeakPolarHBondContact O-CA 3.3Å; Y122-D126 PolarHBondContact O-N 2.58Å; Y122-D126 VanDerWaalsContact O-N 3.09Å; Y122-S127 WeakPolarHBondContact CD2-O 3.36Å; Y122-S127 PolarHBondContact N-O 3.11Å; Y122-C129 HydrophobicContact CE2-CB 4.43Å; Y122-C129 PolarHBondContact OH-SG 3.15Å; Y122-R148 HydrophobicContact CD2-CG 4Å; Y122-R148 HydrophobicContact CE2-CG 3.94Å |
| 123 | L | 92.7 | Very high | 94 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.1 | -178.1 | -70.8 | 170.9 | 0 | 0 | 0 | 113.1 | L89 K92 L94 Y121 W162 F190 | L89-L123 HydrophobicContact CB-CB 4Å; L89-L123 HydrophobicContact CD1-CB 4.2Å; L89-L123 WeakPolarHBondContact CD1-O 3.11Å; L89-L123 HydrophobicContact CG-CB 4.47Å; K92-L123 HydrophobicContact CB-CB 4.44Å; K92-L123 HydrophobicContact CB-CD1 3.85Å; K92-L123 WeakPolarHBondContact O-CB 3.39Å; K92-L123 PolarHBondContact O-N 3.14Å; L94-L123 HydrophobicContact CD1-CD2 3.95Å; L94-L123 HydrophobicContact CD1-CG 4.4Å; L94-L123 HydrophobicContact CD2-CD1 4.06Å; L94-L123 HydrophobicContact CG-CD1 4.17Å; L94-L123 HydrophobicContact CG-CD2 4.2Å; L94-L123 HydrophobicContact CG-CG 4.1Å; Y121-L123 HydrophobicContact CD1-CD2 4.22Å; Y121-L123 HydrophobicContact CE1-CD2 4.12Å; L123-W162 HydrophobicContact CD2-CB 4.42Å; L123-W162 HydrophobicContact CD2-CG 4.13Å; L123-F190 HydrophobicContact CD1-CD1 4.49Å; L123-F190 HydrophobicContact CD1-CD2 4.18Å; L123-F190 HydrophobicContact CD1-CE1 4.01Å; L123-F190 HydrophobicContact CD1-CE2 3.67Å; L123-F190 HydrophobicContact CD1-CZ 3.57Å; L123-F190 HydrophobicContact CD2-CE1 3.93Å; L123-F190 HydrophobicContact CD2-CZ 3.8Å; L123-F190 HydrophobicContact CG-CZ 4.36Å |
| 124 | E | 91.6 | Very high | 94 | Very high | 66 Ų | 66 | 29.5 Ų | 29.5 | 31% | 0.308 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -42.3 | 178 | -172.6 | -163.2 | 174.4 | 0 | 0 | 112.9 | H86 Y122 R148 | H86-E124 HydrophobicContact CB-CG 3.91Å; Y122-E124 PolarHBondContact O-N 3.34Å; E124-R148 IonicContact OE2-CZ 3.85Å; E124-R148 IonicContact OE2-NH1 2.82Å; E124-R148 IonicContact OE2-NH2 3.9Å; E124-R148 PolarHBondContact OE2-NH2 2.75Å |
| 125 | D | 90.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 32.2 Ų | 32.2 | 36% | 0.358 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 12.7 | -166.9 | 69.4 | -23.9 | 0 | 0 | 0 | 114.5 | Y122 S127 R148 | Y122-D125 WeakPolarHBondContact CB-OD1 3.39Å; D125-S127 PolarHBondContact O-N 3.09Å; D125-S127 VanDerWaalsContact O-N 3.11Å; D125-S127 VanDerWaalsContact OD1-CB 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.81Å; D125-S127 PolarHBondContact OD1-OG 3.08Å; D125-S127 WeakPolarHBondContact OD2-CB 3.46Å; D125-S127 PolarHBondContact OD2-OG 3.11Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; D125-R148 IonicContact OD1-CZ 3.87Å; D125-R148 IonicContact OD1-NE 3.23Å; D125-R148 IonicContact OD1-NH2 3.68Å; D125-R148 PolarHBondContact OD1-NH2 3.42Å; D125-R148 IonicContact OD2-CZ 2.92Å; D125-R148 IonicContact OD2-NE 3.41Å; D125-R148 IonicContact OD2-NH2 3.7Å; D125-R148 PolarHBondContact OD2-NH2 2.71Å |
| 126 | D | 92 | Very high | 93.3 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 26.3 | -176.4 | -58.6 | -34.9 | 0 | 0 | 0 | 113.7 | Y121 Y122 | Y121-D126 WeakPolarHBondContact OH-CA 3.45Å; Y121-D126 VanDerWaalsContact OH-CB 3.28Å; Y121-D126 WeakPolarHBondContact OH-CB 3.45Å; Y121-D126 PolarHBondContact OH-OD1 3.28Å; Y121-D126 VanDerWaalsContact OH-OD1 3.08Å; Y122-D126 WeakPolarHBondContact O-CA 3.3Å; Y122-D126 PolarHBondContact O-N 2.58Å; Y122-D126 VanDerWaalsContact O-N 3.09Å |
| 127 | S | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 156.2 | 178.1 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | Y121 Y122 D125 R148 | Y121-S127 WeakPolarHBondContact CA-O 3.41Å; Y122-S127 WeakPolarHBondContact CD2-O 3.36Å; Y122-S127 PolarHBondContact N-O 3.11Å; D125-S127 PolarHBondContact O-N 3.09Å; D125-S127 VanDerWaalsContact O-N 3.11Å; D125-S127 VanDerWaalsContact OD1-CB 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.81Å; D125-S127 PolarHBondContact OD1-OG 3.08Å; D125-S127 WeakPolarHBondContact OD2-CB 3.46Å; D125-S127 PolarHBondContact OD2-OG 3.11Å; D125-S127 VanDerWaalsContact OD2-OG 3.11Å; S127-R148 VanDerWaalsContact OG-CG 3.22Å; S127-R148 WeakPolarHBondContact OG-CG 3.49Å; S127-R148 PolarHBondContact OG-NE 2.92Å |
| 128 | M | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.6 | 176.2 | -54.9 | 170.3 | 68.2 | 0 | 0 | 111.2 | I119 Y120 Y121 R148 Q149 L151 L165 L171 | I119-M128 HydrophobicContact CG2-CE 3.56Å; Y120-M128 CarbonylContact O-C 3.54Å; Y120-M128 WeakPolarHBondContact O-CA 3.43Å; Y120-M128 WeakPolarHBondContact O-CB 3.43Å; Y121-M128 HydrophobicContact CD2-CE 4.15Å; Y121-M128 HydrophobicContact CD2-CG 3.28Å; Y121-M128 HydrophobicContact CD2-SD 3.59Å; Y121-M128 VanDerWaalsContact CD2-SD 3.59Å; Y121-M128 HydrophobicContact CE2-CG 3.87Å; Y121-M128 HydrophobicContact CE2-SD 3.99Å; Y121-M128 HydrophobicContact CG-CG 4.01Å; M128-R148 WeakPolarHBondContact O-CA 3.3Å; M128-Q149 PolarHBondContact N-O 3.08Å; M128-Q149 PolarHBondContact O-N 3.2Å; M128-Q149 VanDerWaalsContact O-O 3.11Å; M128-L151 HydrophobicContact CB-CD1 3.57Å; M128-L151 HydrophobicContact CB-CG 3.84Å; M128-L151 HydrophobicContact CE-CD1 4.06Å; M128-L151 HydrophobicContact CG-CD1 4.2Å; M128-L151 HydrophobicContact CG-CG 4.39Å; M128-L151 HydrophobicContact SD-CB 4.29Å; M128-L151 HydrophobicContact SD-CD1 3.73Å; M128-L151 HydrophobicContact SD-CG 4.15Å; M128-L165 HydrophobicContact CE-CD1 3.81Å; M128-L165 HydrophobicContact CE-CD2 4.26Å; M128-L171 HydrophobicContact CE-CD2 3.94Å |
| 129 | C | 95.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.5 | 166.1 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | Y120 Y122 I146 R148 | Y120-C129 PolarHBondContact N-O 2.77Å; Y120-C129 PolarHBondContact O-N 3.34Å; Y122-C129 HydrophobicContact CE2-CB 4.43Å; Y122-C129 PolarHBondContact OH-SG 3.15Å; C129-I146 WeakPolarHBondContact CB-O 3.46Å; C129-R148 HydrophobicContact CB-CB 4.27Å |
| 130 | I | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.7 | 179.1 | -53 | -169.1 | 0 | 0 | 0 | 108.1 | V117 I119 R145 I146 Y178 | V117-I130 HydrophobicContact CB-CG2 3.8Å; V117-I130 HydrophobicContact CG1-CG2 4.06Å; V117-I130 HydrophobicContact CG2-CG2 4.16Å; I119-I130 HydrophobicContact CG1-CD1 4.13Å; I119-I130 HydrophobicContact CG1-CG1 4.06Å; I119-I130 HydrophobicContact CG1-CG2 4.21Å; I119-I130 HydrophobicContact CG2-CG1 4.41Å; I130-R145 PolarHBondContact O-N 2.84Å; I130-I146 HydrophobicContact CB-CB 4.06Å; I130-I146 HydrophobicContact CB-CD1 4.36Å; I130-I146 HydrophobicContact CB-CG1 4.18Å; I130-I146 HydrophobicContact CD1-CD1 3.69Å; I130-I146 HydrophobicContact CD1-CG1 4.46Å; I130-I146 HydrophobicContact CG1-CB 4.25Å; I130-I146 HydrophobicContact CG1-CD1 4.06Å; I130-I146 HydrophobicContact CG1-CG1 4.38Å; I130-I146 PolarHBondContact N-O 2.99Å; I130-I146 VanDerWaalsContact N-O 3.14Å; I130-I146 PolarHBondContact O-N 3.48Å; I130-Y178 HydrophobicContact CD1-CD2 3.86Å; I130-Y178 HydrophobicContact CD1-CE1 4.35Å; I130-Y178 HydrophobicContact CD1-CE2 3.67Å; I130-Y178 HydrophobicContact CD1-CG 4.3Å; I130-Y178 HydrophobicContact CG2-CE1 4.14Å |
| 131 | I | 96.4 | Very high | 90.4 | Very high | 43 Ų | 43 | 50 Ų | 50 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.9 | -175.2 | -52.8 | -173.8 | 0 | 0 | 0 | 109 | V117 T118 Y120 K144 | V117-I131 CarbonylContact C-O 3.49Å; T118-I131 PolarHBondContact N-O 3.2Å; T118-I131 PolarHBondContact O-N 3.19Å; Y120-I131 HydrophobicContact CD2-CD1 4.08Å; Y120-I131 HydrophobicContact CD2-CG1 4.3Å; Y120-I131 HydrophobicContact CE2-CB 4.44Å; Y120-I131 HydrophobicContact CE2-CD1 3.83Å; Y120-I131 HydrophobicContact CE2-CG1 4.22Å; I131-K144 HydrophobicContact CD1-CG 4.17Å; I131-K144 HydrophobicContact CG1-CG 4.18Å |
| 132 | E | 94.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.8 | 169.4 | -177.5 | 171.3 | 176.6 | 0 | 0 | 109.3 | R115 Q142 G143 | R115-E132 IonicContact CZ-OE1 3.84Å; R115-E132 IonicContact CZ-OE2 3.39Å; R115-E132 VanDerWaalsContact CZ-OE2 3.28Å; R115-E132 IonicContact NE-OE1 2.99Å; R115-E132 PolarHBondContact NE-OE1 3.14Å; R115-E132 IonicContact NE-OE2 2.89Å; R115-E132 PolarHBondContact NE-OE2 3.24Å; R115-E132 IonicContact NH2-OE1 3.27Å; R115-E132 PolarHBondContact NH2-OE1 3Å; R115-E132 IonicContact NH2-OE2 3.76Å; R115-E132 PolarHBondContact NH2-OE2 2.93Å; E132-Q142 HydrophobicContact CG-CB 4.49Å; E132-Q142 HydrophobicContact CG-CG 4.27Å; E132-G143 PolarHBondContact N-O 2.86Å; E132-G143 WeakPolarHBondContact O-CA 3.44Å; E132-G143 PolarHBondContact O-N 3.06Å |
| 133 | P | 92.6 | Very high | 90 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 34% | 0.344 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 147.1 | 178.2 | 28.9 | -33 | 0 | 0 | 0 | 110.9 | P116 V135 Q142 | P116-P133 HydrophobicContact CB-CG 4.32Å; P116-P133 HydrophobicContact CG-CG 4.03Å; P116-P133 VanDerWaalsContact O-CD 3.23Å; P116-P133 WeakPolarHBondContact O-CD 3.28Å; P133-V135 PolarHBondContact O-N 3.15Å; P133-Q142 PolarHBondContact O-NE2 3.2Å |
| 134 | S | 89.4 | Confident | 90 | Very high | 112 Ų | 112 | 59.2 Ų | 59.2 | 78% | 0.783 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 124.3 | 177.2 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 135 | V | 87.1 | Confident | 90.1 | Very high | 67 Ų | 67 | 60.4 Ų | 60.4 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | trans | -114.3 | 123.7 | 176.5 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | P133 N137 S138 Q142 | P133-V135 PolarHBondContact O-N 3.15Å; V135-N137 PolarHBondContact O-N 2.96Å; V135-S138 WeakPolarHBondContact O-CB 3.46Å; V135-S138 PolarHBondContact O-N 2.92Å; V135-S138 PolarHBondContact O-OG 2.84Å; V135-Q142 PolarHBondContact O-OE1 3.21Å | ||
| 136 | V | 82.2 | Confident | 90.3 | Very high | 123 Ų | 123 | 57.9 Ų | 57.9 | 75% | 0.745 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 135.4 | -179.9 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | S138 | V136-S138 PolarHBondContact O-N 3.35Š|
| 137 | N | 79.8 | Confident | 90.4 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 22 | -179.4 | -56.3 | -40.4 | 0 | 0 | 0 | 115.1 | V135 G139 R213 | V135-N137 PolarHBondContact O-N 2.96Å; N137-G139 VanDerWaalsContact C-N 3.3Å; N137-G139 PolarHBondContact O-N 2.68Å; N137-R213 PolarHBondContact O-NH1 3.47Å |
| 138 | S | 80.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 26% | 0.259 | 39% | 0.386 | S | S | . | . | trans | -66.2 | -31.7 | 176.4 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | V135 V136 L140 Q142 | V135-S138 WeakPolarHBondContact O-CB 3.46Å; V135-S138 PolarHBondContact O-N 2.92Å; V135-S138 PolarHBondContact O-OG 2.84Å; V136-S138 PolarHBondContact O-N 3.35Å; S138-L140 PolarHBondContact O-N 2.85Å; S138-L140 PolarHBondContact OG-N 3.14Å; S138-Q142 PolarHBondContact OG-NE2 2.81Å; S138-Q142 PolarHBondContact OG-OE1 3.34Å | ||
| 139 | G | 82.9 | Confident | 90.4 | Very high | 80 Ų | 80 | 72.2 Ų | 72.2 | 83% | 0.825 | 40% | 0.403 | S | S | * | . | trans | 69.2 | 4.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N137 | N137-G139 VanDerWaalsContact C-N 3.3Å; N137-G139 PolarHBondContact O-N 2.68Å | ||
| 140 | L | 87.1 | Confident | 90.3 | Very high | 48 Ų | 48 | 77.5 Ų | 77.5 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -104.4 | 149.1 | -180 | -67.3 | 173.5 | 0 | 0 | 0 | 110.8 | S138 Q142 | S138-L140 PolarHBondContact O-N 2.85Å; S138-L140 PolarHBondContact OG-N 3.14Å; L140-Q142 HydrophobicContact CB-CG 4.48Å; L140-Q142 PolarHBondContact O-N 2.89Å; L140-Q142 VanDerWaalsContact O-N 3.16Å |
| 141 | P | 86.6 | Confident | 90.2 | Very high | 119 Ų | 119 | 77.6 Ų | 77.6 | 77% | 0.773 | 42% | 0.422 | S | S | * | . | trans | -66.9 | 113.2 | 167.6 | 28 | -31.9 | 0 | 0 | 0 | 109 | R115 | R115-P141 PolarHBondContact NH2-O 3.43Š| ||
| 142 | Q | 90.3 | Very high | 89.9 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 27% | 0.271 | 43% | 0.426 | S | S | . | . | trans | -113.6 | 165.1 | -178.2 | -67.2 | 177.8 | -46.5 | 0 | 0 | 111.3 | E132 P133 V135 S138 L140 | E132-Q142 HydrophobicContact CG-CB 4.49Å; E132-Q142 HydrophobicContact CG-CG 4.27Å; P133-Q142 PolarHBondContact O-NE2 3.2Å; V135-Q142 PolarHBondContact O-OE1 3.21Å; S138-Q142 PolarHBondContact OG-NE2 2.81Å; S138-Q142 PolarHBondContact OG-OE1 3.34Å; L140-Q142 HydrophobicContact CB-CG 4.48Å; L140-Q142 PolarHBondContact O-N 2.89Å; L140-Q142 VanDerWaalsContact O-N 3.16Å | ||
| 143 | G | 92.6 | Very high | 89.6 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.5 | -142.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | E132 R145 | E132-G143 PolarHBondContact N-O 2.86Å; E132-G143 WeakPolarHBondContact O-CA 3.44Å; E132-G143 PolarHBondContact O-N 3.06Å; G143-R145 PolarHBondContact O-N 2.81Å |
| 144 | K | 92.9 | Very high | 89.3 | Confident | 167 Ų | 167 | 82.5 Ų | 82.5 | 73% | 0.726 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 105.5 | -176.2 | -68.3 | -179.3 | -179.3 | 177.3 | 0 | 110.7 | I131 | I131-K144 HydrophobicContact CD1-CG 4.17Å; I131-K144 HydrophobicContact CG1-CG 4.18Å |
| 145 | R | 92.6 | Very high | 89 | Confident | 91 Ų | 91 | 86.8 Ų | 86.8 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -43.1 | 177.6 | -168.5 | 175.4 | 174.5 | 86.2 | 1.6 | 111.3 | F100 I130 G143 Y178 | F100-R145 VanDerWaalsContact CZ-NH1 3.31Å; I130-R145 PolarHBondContact O-N 2.84Å; G143-R145 PolarHBondContact O-N 2.81Å; R145-Y178 WeakPolarHBondContact CD-OH 3.31Å; R145-Y178 PolarHBondContact NE-OH 2.97Å |
| 146 | I | 94.7 | Very high | 88.8 | Confident | 14 Ų | 14 | 92.2 Ų | 92.2 | 7% | 0.072 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126 | 172.5 | -55.4 | -176.8 | 0 | 0 | 0 | 108.6 | C129 I130 L151 V173 Y174 Y178 | C129-I146 WeakPolarHBondContact CB-O 3.46Å; I130-I146 HydrophobicContact CB-CB 4.06Å; I130-I146 HydrophobicContact CB-CD1 4.36Å; I130-I146 HydrophobicContact CB-CG1 4.18Å; I130-I146 HydrophobicContact CD1-CD1 3.69Å; I130-I146 HydrophobicContact CD1-CG1 4.46Å; I130-I146 HydrophobicContact CG1-CB 4.25Å; I130-I146 HydrophobicContact CG1-CD1 4.06Å; I130-I146 HydrophobicContact CG1-CG1 4.38Å; I130-I146 PolarHBondContact N-O 2.99Å; I130-I146 VanDerWaalsContact N-O 3.14Å; I130-I146 PolarHBondContact O-N 3.48Å; I146-L151 HydrophobicContact CG2-CD2 3.79Å; I146-V173 HydrophobicContact CD1-CB 4.38Å; I146-V173 HydrophobicContact CD1-CG1 3.74Å; I146-Y174 HydrophobicContact CD1-CD2 3.97Å; I146-Y174 HydrophobicContact CD1-CE2 4.37Å; I146-Y174 HydrophobicContact CG2-CE2 4.24Å; I146-Y178 HydrophobicContact CD1-CE2 4.42Å |
| 147 | K | 94.9 | Very high | 88.8 | Confident | 167 Ų | 167 | 88.4 Ų | 88.4 | 73% | 0.726 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 157 | 176.3 | -66.8 | -178.2 | -179.2 | 176.8 | 0 | 110.4 | Q149 | K147-Q149 PolarHBondContact O-N 2.81Å; K147-Q149 VanDerWaalsContact O-N 3.1Å |
| 148 | R | 95.3 | Very high | 89.2 | Confident | 108 Ų | 108 | 87.4 Ų | 87.4 | 41% | 0.408 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 113.8 | 179 | -176 | 178.9 | 176.3 | -177 | 0.8 | 110.1 | Y122 E124 D125 S127 M128 C129 | Y122-R148 HydrophobicContact CD2-CG 4Å; Y122-R148 HydrophobicContact CE2-CG 3.94Å; E124-R148 IonicContact OE2-CZ 3.85Å; E124-R148 IonicContact OE2-NH1 2.82Å; E124-R148 IonicContact OE2-NH2 3.9Å; E124-R148 PolarHBondContact OE2-NH2 2.75Å; D125-R148 IonicContact OD1-CZ 3.87Å; D125-R148 IonicContact OD1-NE 3.23Å; D125-R148 IonicContact OD1-NH2 3.68Å; D125-R148 PolarHBondContact OD1-NH2 3.42Å; D125-R148 IonicContact OD2-CZ 2.92Å; D125-R148 IonicContact OD2-NE 3.41Å; D125-R148 IonicContact OD2-NH2 3.7Å; D125-R148 PolarHBondContact OD2-NH2 2.71Å; S127-R148 VanDerWaalsContact OG-CG 3.22Å; S127-R148 WeakPolarHBondContact OG-CG 3.49Å; S127-R148 PolarHBondContact OG-NE 2.92Å; M128-R148 WeakPolarHBondContact O-CA 3.3Å; C129-R148 HydrophobicContact CB-CB 4.27Å |
| 149 | Q | 94.6 | Very high | 89.8 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 36% | 0.36 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 163.8 | 176.2 | 68.1 | -168.6 | -13.7 | 0 | 0 | 109.8 | M128 K147 L151 Y174 | M128-Q149 PolarHBondContact N-O 3.08Å; M128-Q149 PolarHBondContact O-N 3.2Å; M128-Q149 VanDerWaalsContact O-O 3.11Å; K147-Q149 PolarHBondContact O-N 2.81Å; K147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-L151 HydrophobicContact CG-CD2 3.77Å; Q149-L151 PolarHBondContact O-N 2.82Å; Q149-Y174 VanDerWaalsContact NE2-CE2 3.28Å; Q149-Y174 PolarHBondContact NE2-OH 3.4Å |
| 150 | R | 93.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 88.1 Ų | 88.1 | 45% | 0.445 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 117 | 173.2 | -60 | 179.5 | 70.9 | -166.3 | 5.7 | 109 | Y159 | R150-Y159 HydrophobicContact CB-CD1 3.58Å; R150-Y159 HydrophobicContact CB-CE1 3.89Å; R150-Y159 HydrophobicContact CB-CG 3.97Å; R150-Y159 WeakPolarHBondContact O-CD1 3.39Å |
| 151 | L | 92.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.005 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 126.6 | -174.3 | -59.4 | -178.5 | 0 | 0 | 0 | 110.4 | M128 I146 Q149 Y159 Y160 V173 Y174 | M128-L151 HydrophobicContact CB-CD1 3.57Å; M128-L151 HydrophobicContact CB-CG 3.84Å; M128-L151 HydrophobicContact CE-CD1 4.06Å; M128-L151 HydrophobicContact CG-CD1 4.2Å; M128-L151 HydrophobicContact CG-CG 4.39Å; M128-L151 HydrophobicContact SD-CB 4.29Å; M128-L151 HydrophobicContact SD-CD1 3.73Å; M128-L151 HydrophobicContact SD-CG 4.15Å; I146-L151 HydrophobicContact CG2-CD2 3.79Å; Q149-L151 HydrophobicContact CG-CD2 3.77Å; Q149-L151 PolarHBondContact O-N 2.82Å; L151-Y159 VanDerWaalsContact O-CA 3.3Å; L151-Y159 WeakPolarHBondContact O-CA 3.33Å; L151-Y160 HydrophobicContact CB-CD2 4.01Å; L151-Y160 PolarHBondContact O-N 2.85Å; L151-V173 HydrophobicContact CB-CG1 4.32Å; L151-V173 HydrophobicContact CB-CG2 4.43Å; L151-V173 HydrophobicContact CD1-CG1 4.04Å; L151-V173 HydrophobicContact CD1-CG2 3.97Å; L151-V173 HydrophobicContact CD2-CG1 4Å; L151-V173 HydrophobicContact CG-CG1 4.33Å; L151-Y174 HydrophobicContact CD2-CE2 4.14Å |
| 152 | P | 91.4 | Very high | 90.7 | Very high | 45 Ų | 45 | 83.7 Ų | 83.7 | 29% | 0.292 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 132.7 | 178.4 | 29.4 | -33.2 | 0 | 0 | 0 | 110 | Y160 Y174 | P152-Y160 WeakPolarHBondContact O-CE2 3.33Å; P152-Y174 HydrophobicContact CG-CE1 4.04Å |
| 153 | K | 88.4 | Confident | 90.8 | Very high | 82 Ų | 82 | 87.5 Ų | 87.5 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -84.9 | -47.7 | 175.1 | -173.4 | 176.2 | -174.6 | 178.8 | 0 | 111.1 | N158 Y160 D164 | K153-N158 PolarHBondContact N-O 3.49Å; K153-Y160 HydrophobicContact CB-CD1 4.31Å; K153-Y160 HydrophobicContact CB-CD2 4.04Å; K153-Y160 HydrophobicContact CB-CE1 4.26Å; K153-Y160 HydrophobicContact CB-CE2 4.01Å; K153-Y160 HydrophobicContact CB-CG 4.21Å; K153-Y160 HydrophobicContact CD-CD1 4.23Å; K153-Y160 HydrophobicContact CD-CE1 4.22Å; K153-Y160 HydrophobicContact CG-CD1 4.1Å; K153-Y160 HydrophobicContact CG-CE1 3.77Å; K153-Y160 HydrophobicContact CG-CE2 4.3Å; K153-Y160 HydrophobicContact CG-CG 4.5Å; K153-D164 IonicContact NZ-OD1 3.49Å; K153-D164 PolarHBondContact NZ-OD1 3.43Å; K153-D164 IonicContact NZ-OD2 3.11Å; K153-D164 PolarHBondContact NZ-OD2 3.48Å |
| 154 | N | 85.8 | Confident | 90.7 | Very high | 79 Ų | 79 | 88.5 Ų | 88.5 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -132.5 | 164 | -178.3 | -61.1 | -9.3 | 0 | 0 | 0 | 111.1 | F156 G157 | N154-F156 HydrophobicContact CB-CD2 4.07Å; N154-F156 PolarHBondContact O-N 2.93Å; N154-F156 VanDerWaalsContact O-N 3.1Å; N154-G157 PolarHBondContact O-N 3.4Å |
| 155 | E | 82.4 | Confident | 90.6 | Very high | 202 Ų | 202 | 80.7 Ų | 80.7 | 94% | 0.944 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19 | 174.5 | -60.5 | -176.3 | 166.9 | 0 | 0 | 113.6 | G157 | E155-G157 PolarHBondContact O-N 2.78Š|
| 156 | F | 82.9 | Confident | 90.6 | Very high | 182 Ų | 182 | 77.6 Ų | 77.6 | 80% | 0.798 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 4.8 | 178.9 | -56.5 | -73.1 | 0 | 0 | 0 | 114.6 | N154 | N154-F156 HydrophobicContact CB-CD2 4.07Å; N154-F156 PolarHBondContact O-N 2.93Å; N154-F156 VanDerWaalsContact O-N 3.1Å |
| 157 | G | 81.9 | Confident | 90.6 | Very high | 42 Ų | 42 | 77.2 Ų | 77.2 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 83.5 | 11.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N154 E155 | N154-G157 PolarHBondContact O-N 3.4Å; E155-G157 PolarHBondContact O-N 2.78Å |
| 158 | N | 89.3 | Confident | 90.3 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | trans | -74.7 | 140.3 | 171.2 | -66.9 | -24.2 | 0 | 0 | 0 | 110 | K153 | K153-N158 PolarHBondContact N-O 3.49Š| ||
| 159 | Y | 92.6 | Very high | 90.2 | Very high | 107 Ų | 107 | 69.2 Ų | 69.2 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -105.3 | 155.3 | 177.3 | -60.7 | -75.3 | 0 | 0 | 0 | 111.2 | R150 L151 N161 | R150-Y159 HydrophobicContact CB-CD1 3.58Å; R150-Y159 HydrophobicContact CB-CE1 3.89Å; R150-Y159 HydrophobicContact CB-CG 3.97Å; R150-Y159 WeakPolarHBondContact O-CD1 3.39Å; L151-Y159 VanDerWaalsContact O-CA 3.3Å; L151-Y159 WeakPolarHBondContact O-CA 3.33Å; Y159-N161 PolarHBondContact O-N 2.85Å |
| 160 | Y | 92.4 | Very high | 90.2 | Very high | 24 Ų | 24 | 69.7 Ų | 69.7 | 9% | 0.094 | 34% | 0.343 | C | S | . | . | trans | -65.1 | 131.4 | 171.4 | -76.7 | -79.1 | 0 | 0 | 0 | 110.9 | L151 P152 K153 D164 L171 E172 V173 | L151-Y160 HydrophobicContact CB-CD2 4.01Å; L151-Y160 PolarHBondContact O-N 2.85Å; P152-Y160 WeakPolarHBondContact O-CE2 3.33Å; K153-Y160 HydrophobicContact CB-CD1 4.31Å; K153-Y160 HydrophobicContact CB-CD2 4.04Å; K153-Y160 HydrophobicContact CB-CE1 4.26Å; K153-Y160 HydrophobicContact CB-CE2 4.01Å; K153-Y160 HydrophobicContact CB-CG 4.21Å; K153-Y160 HydrophobicContact CD-CD1 4.23Å; K153-Y160 HydrophobicContact CD-CE1 4.22Å; K153-Y160 HydrophobicContact CG-CD1 4.1Å; K153-Y160 HydrophobicContact CG-CE1 3.77Å; K153-Y160 HydrophobicContact CG-CE2 4.3Å; K153-Y160 HydrophobicContact CG-CG 4.5Å; Y160-D164 HydrophobicContact CD1-CB 4.14Å; Y160-L171 HydrophobicContact CD1-CD1 3.84Å; Y160-L171 HydrophobicContact CD2-CD1 4.04Å; Y160-L171 HydrophobicContact CE1-CD1 3.53Å; Y160-L171 HydrophobicContact CE2-CD1 3.73Å; Y160-L171 HydrophobicContact CG-CD1 4.09Å; Y160-L171 VanDerWaalsContact CZ-CD1 3.46Å; Y160-E172 PolarHBondContact OH-O 2.78Å; Y160-V173 HydrophobicContact CD2-CG2 4.49Å; Y160-V173 HydrophobicContact CE2-CG2 3.94Å | ||
| 161 | N | 92.2 | Very high | 90.2 | Very high | 46 Ų | 46 | 64.1 Ų | 64.1 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | trans | -101.7 | 159.7 | 168.1 | -163.7 | -82.4 | 0 | 0 | 0 | 110.3 | Y121 Y159 K163 D164 | Y121-N161 WeakPolarHBondContact OH-CA 3.41Å; Y159-N161 PolarHBondContact O-N 2.85Å; N161-K163 PolarHBondContact O-N 2.94Å; N161-K163 WeakPolarHBondContact OD1-CG 3.22Å; N161-K163 PolarHBondContact OD1-N 3.14Å; N161-K163 VanDerWaalsContact OD1-N 3.15Å; N161-D164 PolarHBondContact N-OD2 3.16Å; N161-D164 WeakPolarHBondContact O-CB 3.45Å; N161-D164 PolarHBondContact O-N 3.1Å | ||
| 162 | W | 91.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 69.9 Ų | 69.9 | 11% | 0.106 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -57.5 | -30.2 | 172.8 | 59.2 | -94.1 | 0 | 0 | 0 | 112 | L94 Y121 L123 D164 L165 F190 M191 E194 I196 | L94-W162 HydrophobicContact CD1-CB 3.66Å; L94-W162 HydrophobicContact CD1-CG 4.46Å; Y121-W162 HydrophobicContact CD1-CB 4.04Å; Y121-W162 HydrophobicContact CE1-CB 3.74Å; Y121-W162 AromaticContact CE1-CD1 3.99Å; Y121-W162 HydrophobicContact CE1-CG 4.29Å; Y121-W162 HydrophobicContact CE2-CB 4.38Å; Y121-W162 VanDerWaalsContact CZ-N 3.26Å; Y121-W162 PolarHBondContact OH-N 2.83Å; L123-W162 HydrophobicContact CD2-CB 4.42Å; L123-W162 HydrophobicContact CD2-CG 4.13Å; W162-D164 PolarHBondContact O-N 3.14Å; W162-L165 PolarHBondContact O-N 2.81Å; W162-L165 VanDerWaalsContact O-N 3.14Å; W162-F190 HydrophobicContact CD2-CE1 4.23Å; W162-F190 HydrophobicContact CE3-CE1 4.14Å; W162-F190 HydrophobicContact CZ3-CE1 4.4Å; W162-M191 HydrophobicContact CB-CE 4.3Å; W162-M191 HydrophobicContact CE3-CE 4.23Å; W162-M191 HydrophobicContact CE3-SD 3.79Å; W162-M191 HydrophobicContact CZ3-SD 4.21Å; W162-M191 WeakPolarHBondContact O-CE 3.17Å; W162-E194 HydrophobicContact CH2-CB 3.58Å; W162-E194 HydrophobicContact CH2-CG 3.79Å; W162-E194 HydrophobicContact CZ2-CG 4.47Å; W162-E194 HydrophobicContact CZ3-CB 3.7Å; W162-E194 HydrophobicContact CZ3-CG 4.13Å; W162-I196 HydrophobicContact CE3-CD1 3.79Å; W162-I196 HydrophobicContact CH2-CD1 4.46Å; W162-I196 HydrophobicContact CZ3-CD1 3.41Å; W162-I196 VanDerWaalsContact CZ3-CD1 3.41Å; W162-I196 HydrophobicContact CZ3-CG1 4.18Å |
| 163 | K | 91.7 | Very high | 90.1 | Very high | 139 Ų | 139 | 67.9 Ų | 67.9 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -63.4 | -21.4 | 173.8 | -62.5 | -177.1 | -179.5 | -173 | 0 | 114.1 | N161 L165 I196 | N161-K163 PolarHBondContact O-N 2.94Å; N161-K163 WeakPolarHBondContact OD1-CG 3.22Å; N161-K163 PolarHBondContact OD1-N 3.14Å; N161-K163 VanDerWaalsContact OD1-N 3.15Å; K163-L165 VanDerWaalsContact C-N 3.33Å; K163-I196 HydrophobicContact CB-CD1 4.31Å; K163-I196 HydrophobicContact CG-CD1 4.24Å |
| 164 | D | 90.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 70.3 Ų | 70.3 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -86.5 | -3.6 | 178.7 | -63.7 | -53.5 | 0 | 0 | 0 | 112.6 | K153 Y160 N161 W162 | K153-D164 IonicContact NZ-OD1 3.49Å; K153-D164 PolarHBondContact NZ-OD1 3.43Å; K153-D164 IonicContact NZ-OD2 3.11Å; K153-D164 PolarHBondContact NZ-OD2 3.48Å; Y160-D164 HydrophobicContact CD1-CB 4.14Å; N161-D164 PolarHBondContact N-OD2 3.16Å; N161-D164 WeakPolarHBondContact O-CB 3.45Å; N161-D164 PolarHBondContact O-N 3.1Å; W162-D164 PolarHBondContact O-N 3.14Å |
| 165 | L | 92.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | trans | -107.2 | 129.5 | -174.9 | -58 | 176 | 0 | 0 | 0 | 110.7 | F96 Y121 M128 W162 K163 L171 I180 | F96-L165 HydrophobicContact CD2-CD1 4.3Å; F96-L165 HydrophobicContact CE2-CB 4.29Å; F96-L165 HydrophobicContact CE2-CD1 3.81Å; F96-L165 HydrophobicContact CZ-CB 4.11Å; F96-L165 HydrophobicContact CZ-CD1 4.44Å; Y121-L165 HydrophobicContact CD2-CD1 3.84Å; Y121-L165 HydrophobicContact CG-CD1 4.44Å; M128-L165 HydrophobicContact CE-CD1 3.81Å; M128-L165 HydrophobicContact CE-CD2 4.26Å; W162-L165 PolarHBondContact O-N 2.81Å; W162-L165 VanDerWaalsContact O-N 3.14Å; K163-L165 VanDerWaalsContact C-N 3.33Å; L165-L171 HydrophobicContact CD2-CD1 4.05Å; L165-L171 HydrophobicContact CD2-CD2 4.47Å; L165-I180 HydrophobicContact CD2-CD1 4.07Å | ||
| 166 | N | 92.8 | Very high | 90.8 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | trans | -143.4 | 165.9 | 172.7 | -155.8 | -24.7 | 0 | 0 | 0 | 110 | M169 V197 L198 N199 | N166-M169 HydrophobicContact CB-CE 4.25Å; N166-M169 WeakPolarHBondContact O-CB 3.41Å; N166-V197 PolarHBondContact ND2-O 2.7Å; N166-L198 WeakPolarHBondContact OD1-CA 2.87Å; N166-L198 WeakPolarHBondContact OD1-CD2 3.5Å; N166-N199 PolarHBondContact OD1-N 2.61Å | ||
| 167 | L | 92.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 152.1 | 172.1 | -60.4 | -175.9 | 0 | 0 | 0 | 110.7 | F96 M169 I180 D182 C183 L198 N199 P201 | F96-L167 HydrophobicContact CD1-CD2 4.45Å; L167-M169 PolarHBondContact O-N 2.77Å; L167-I180 HydrophobicContact CD2-CG2 3.86Å; L167-D182 VanDerWaalsContact CD2-C 3.4Å; L167-C183 HydrophobicContact CD2-CB 3.96Å; L167-L198 HydrophobicContact CD1-CB 4.36Å; L167-L198 HydrophobicContact CG-CD2 4.38Å; L167-N199 HydrophobicContact CB-CB 4.09Å; L167-N199 VanDerWaalsContact CD1-O 3.3Å; L167-N199 WeakPolarHBondContact CD1-O 3.43Å; L167-N199 WeakPolarHBondContact O-CB 3.33Å; L167-N199 PolarHBondContact O-ND2 2.76Å; L167-P201 HydrophobicContact CD1-CB 4.47Å |
| 168 | A | 90.6 | Very high | 92 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 25.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R179 I180 | A168-R179 PolarHBondContact O-NH1 2.75Å; A168-R179 VanDerWaalsContact O-NH1 3.16Å; A168-R179 PolarHBondContact O-NH2 3.23Å; A168-R179 VanDerWaalsContact O-NH2 3.14Å; A168-I180 WeakPolarHBondContact CA-O 3.38Å; A168-I180 PolarHBondContact N-O 3.17Å |
| 169 | M | 92 | Very high | 92.3 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | trans | -104.7 | 148.4 | 175.9 | 179.9 | -178.6 | -79.4 | 0 | 0 | 111.4 | N166 L167 I180 | N166-M169 HydrophobicContact CB-CE 4.25Å; N166-M169 WeakPolarHBondContact O-CB 3.41Å; L167-M169 PolarHBondContact O-N 2.77Å; M169-I180 PolarHBondContact O-N 2.83Å | ||
| 170 | D | 93.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 115.7 | 172.1 | -61.5 | -20.8 | 0 | 0 | 0 | 110.3 | R179 | D170-R179 WeakPolarHBondContact OD1-CD 3.48Å; D170-R179 IonicContact OD1-CZ 2.95Å; D170-R179 IonicContact OD1-NE 3.42Å; D170-R179 IonicContact OD1-NH1 3.6Å; D170-R179 PolarHBondContact OD1-NH1 3.46Å; D170-R179 IonicContact OD2-NH1 2.83Å |
| 171 | L | 93.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 108.3 | 174.7 | 173.6 | 65 | 0 | 0 | 0 | 109.3 | I119 M128 Y160 L165 V173 Y178 I180 | I119-L171 HydrophobicContact CD1-CD2 3.92Å; I119-L171 HydrophobicContact CG2-CD2 4.37Å; M128-L171 HydrophobicContact CE-CD2 3.94Å; Y160-L171 HydrophobicContact CD1-CD1 3.84Å; Y160-L171 HydrophobicContact CD2-CD1 4.04Å; Y160-L171 HydrophobicContact CE1-CD1 3.53Å; Y160-L171 HydrophobicContact CE2-CD1 3.73Å; Y160-L171 HydrophobicContact CG-CD1 4.09Å; Y160-L171 VanDerWaalsContact CZ-CD1 3.46Å; L165-L171 HydrophobicContact CD2-CD1 4.05Å; L165-L171 HydrophobicContact CD2-CD2 4.47Å; L171-V173 HydrophobicContact CD1-CG2 3.85Å; L171-V173 HydrophobicContact CD2-CG2 4.31Å; L171-V173 HydrophobicContact CG-CG2 3.8Å; L171-Y178 PolarHBondContact N-O 2.78Å; L171-Y178 WeakPolarHBondContact O-CD2 3.08Å; L171-Y178 PolarHBondContact O-N 3.26Å; L171-I180 HydrophobicContact CB-CD1 4.31Å; L171-I180 HydrophobicContact CB-CG1 4.47Å |
| 172 | E | 92.6 | Very high | 92.7 | Very high | 122 Ų | 122 | 49.6 Ų | 49.6 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 115.7 | 179.1 | -57.7 | -165.5 | 162.5 | 0 | 0 | 111.1 | Y160 T177 | Y160-E172 PolarHBondContact OH-O 2.78Å; E172-T177 HydrophobicContact CG-CG2 3.74Å |
| 173 | V | 91.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 125.2 | -179 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | I146 L151 Y160 L171 G175 T176 Y178 | I146-V173 HydrophobicContact CD1-CB 4.38Å; I146-V173 HydrophobicContact CD1-CG1 3.74Å; L151-V173 HydrophobicContact CB-CG1 4.32Å; L151-V173 HydrophobicContact CB-CG2 4.43Å; L151-V173 HydrophobicContact CD1-CG1 4.04Å; L151-V173 HydrophobicContact CD1-CG2 3.97Å; L151-V173 HydrophobicContact CD2-CG1 4Å; L151-V173 HydrophobicContact CG-CG1 4.33Å; Y160-V173 HydrophobicContact CD2-CG2 4.49Å; Y160-V173 HydrophobicContact CE2-CG2 3.94Å; L171-V173 HydrophobicContact CD1-CG2 3.85Å; L171-V173 HydrophobicContact CD2-CG2 4.31Å; L171-V173 HydrophobicContact CG-CG2 3.8Å; V173-G175 PolarHBondContact O-N 2.84Å; V173-T176 PolarHBondContact N-O 2.96Å; V173-T176 PolarHBondContact O-N 2.88Å; V173-Y178 HydrophobicContact CB-CE2 4.32Å |
| 174 | Y | 90.3 | Very high | 93 | Very high | 134 Ų | 134 | 45 Ų | 45 | 53% | 0.525 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 42.7 | 180 | -55.5 | -54.5 | 0 | 0 | 0 | 113.8 | I146 Q149 L151 P152 T176 | I146-Y174 HydrophobicContact CD1-CD2 3.97Å; I146-Y174 HydrophobicContact CD1-CE2 4.37Å; I146-Y174 HydrophobicContact CG2-CE2 4.24Å; Q149-Y174 VanDerWaalsContact NE2-CE2 3.28Å; Q149-Y174 PolarHBondContact NE2-OH 3.4Å; L151-Y174 HydrophobicContact CD2-CE2 4.14Å; P152-Y174 HydrophobicContact CG-CE1 4.04Å; Y174-T176 PolarHBondContact O-N 2.83Å |
| 175 | G | 87.9 | Confident | 93.2 | Very high | 88 Ų | 88 | 48 Ų | 48 | 91% | 0.907 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 7.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V173 | V173-G175 PolarHBondContact O-N 2.84Š|
| 176 | T | 91.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.6 | 168.8 | -52 | 0 | 0 | 0 | 0 | 109.6 | F100 V173 Y174 Y178 | F100-T176 HydrophobicContact CB-CG2 3.97Å; F100-T176 HydrophobicContact CD2-CG2 3.79Å; F100-T176 HydrophobicContact CE2-CG2 4.49Å; F100-T176 HydrophobicContact CG-CG2 3.89Å; V173-T176 PolarHBondContact N-O 2.96Å; V173-T176 PolarHBondContact O-N 2.88Å; Y174-T176 PolarHBondContact O-N 2.83Å; T176-Y178 HydrophobicContact CG2-CD1 4.39Å; T176-Y178 HydrophobicContact CG2-CD2 4.4Å; T176-Y178 HydrophobicContact CG2-CE1 3.87Å; T176-Y178 HydrophobicContact CG2-CE2 3.86Å |
| 177 | T | 94.9 | Very high | 93.3 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.8 | 173.5 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | F100 E172 | F100-T177 VanDerWaalsContact CB-O 3.25Å; F100-T177 WeakPolarHBondContact CB-O 3.34Å; E172-T177 HydrophobicContact CG-CG2 3.74Å |
| 178 | Y | 95.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.7 | 176.9 | -59.8 | -83.8 | 0 | 0 | 0 | 109.7 | F100 V117 I130 R145 I146 L171 V173 T176 I180 | F100-Y178 HydrophobicContact CB-CD1 3.91Å; F100-Y178 HydrophobicContact CB-CE1 4.25Å; F100-Y178 AromaticContact CD1-CD1 3.89Å; F100-Y178 HydrophobicContact CD1-CD1 3.89Å; F100-Y178 AromaticContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CD1-CE1 3.63Å; F100-Y178 HydrophobicContact CE1-CE1 4.25Å; F100-Y178 HydrophobicContact CG-CD1 4.2Å; F100-Y178 HydrophobicContact CG-CE1 4.06Å; V117-Y178 HydrophobicContact CG1-CD1 4.42Å; V117-Y178 HydrophobicContact CG1-CE1 4.21Å; V117-Y178 HydrophobicContact CG2-CD1 3.74Å; V117-Y178 HydrophobicContact CG2-CE1 4.3Å; I130-Y178 HydrophobicContact CD1-CD2 3.86Å; I130-Y178 HydrophobicContact CD1-CE1 4.35Å; I130-Y178 HydrophobicContact CD1-CE2 3.67Å; I130-Y178 HydrophobicContact CD1-CG 4.3Å; I130-Y178 HydrophobicContact CG2-CE1 4.14Å; R145-Y178 WeakPolarHBondContact CD-OH 3.31Å; R145-Y178 PolarHBondContact NE-OH 2.97Å; I146-Y178 HydrophobicContact CD1-CE2 4.42Å; L171-Y178 PolarHBondContact N-O 2.78Å; L171-Y178 WeakPolarHBondContact O-CD2 3.08Å; L171-Y178 PolarHBondContact O-N 3.26Å; V173-Y178 HydrophobicContact CB-CE2 4.32Å; T176-Y178 HydrophobicContact CG2-CD1 4.39Å; T176-Y178 HydrophobicContact CG2-CD2 4.4Å; T176-Y178 HydrophobicContact CG2-CE1 3.87Å; T176-Y178 HydrophobicContact CG2-CE2 3.86Å; Y178-I180 PolarHBondContact O-N 2.76Å |
| 179 | R | 95.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.2 | 173.6 | -174 | 70.5 | 171.8 | 178.3 | 5.1 | 109.2 | G98 H99 A168 D170 S181 E202 | G98-R179 CarbonylContact C-O 3.17Å; G98-R179 WeakPolarHBondContact CA-O 3.35Å; H99-R179 PolarHBondContact N-O 3.44Å; H99-R179 PolarHBondContact O-N 3.45Å; A168-R179 PolarHBondContact O-NH1 2.75Å; A168-R179 VanDerWaalsContact O-NH1 3.16Å; A168-R179 PolarHBondContact O-NH2 3.23Å; A168-R179 VanDerWaalsContact O-NH2 3.14Å; D170-R179 WeakPolarHBondContact OD1-CD 3.48Å; D170-R179 IonicContact OD1-CZ 2.95Å; D170-R179 IonicContact OD1-NE 3.42Å; D170-R179 IonicContact OD1-NH1 3.6Å; D170-R179 PolarHBondContact OD1-NH1 3.46Å; D170-R179 IonicContact OD2-NH1 2.83Å; R179-S181 PolarHBondContact O-N 3.18Å; R179-E202 IonicContact CZ-OE2 3.74Å; R179-E202 VanDerWaalsContact CZ-OE2 3.27Å; R179-E202 IonicContact NE-OE1 3.7Å; R179-E202 IonicContact NE-OE2 2.8Å; R179-E202 PolarHBondContact NE-OE2 2.72Å; R179-E202 IonicContact NH2-OE2 3.8Å; R179-E202 PolarHBondContact NH2-OE2 3.13Å |
| 180 | I | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.2 | 174.2 | -59.1 | 176.1 | 0 | 0 | 0 | 108.1 | F96 I119 L165 L167 A168 M169 L171 Y178 | F96-I180 HydrophobicContact CB-CG2 4.06Å; F96-I180 HydrophobicContact CD1-CG2 3.91Å; F96-I180 HydrophobicContact CG-CG2 4.32Å; I119-I180 HydrophobicContact CD1-CG1 4.1Å; L165-I180 HydrophobicContact CD2-CD1 4.07Å; L167-I180 HydrophobicContact CD2-CG2 3.86Å; A168-I180 WeakPolarHBondContact CA-O 3.38Å; A168-I180 PolarHBondContact N-O 3.17Å; M169-I180 PolarHBondContact O-N 2.83Å; L171-I180 HydrophobicContact CB-CD1 4.31Å; L171-I180 HydrophobicContact CB-CG1 4.47Å; Y178-I180 PolarHBondContact O-N 2.76Å |
| 181 | S | 93.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -45.1 | -175.1 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | Y97 R179 P201 E202 | Y97-S181 PolarHBondContact O-N 3.12Å; Y97-S181 PolarHBondContact O-OG 3.05Å; Y97-S181 VanDerWaalsContact O-OG 3.08Å; R179-S181 PolarHBondContact O-N 3.18Å; S181-P201 WeakPolarHBondContact O-CA 3.26Å; S181-E202 WeakPolarHBondContact CB-O 3.3Å; S181-E202 PolarHBondContact O-N 2.67Å |
| 182 | D | 95.7 | Very high | 93.4 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 172.5 | -173.8 | -166.6 | 16.6 | 0 | 0 | 0 | 111.1 | Y97 L167 | Y97-D182 HydrophobicContact CD2-CB 4.18Å; Y97-D182 PolarHBondContact N-O 2.92Å; Y97-D182 PolarHBondContact O-N 2.89Å; Y97-D182 VanDerWaalsContact O-N 3.15Å; L167-D182 VanDerWaalsContact CD2-C 3.4Å |
| 183 | C | 94.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 164 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | F96 L167 T187 | F96-C183 HydrophobicContact CD1-CB 3.65Å; F96-C183 HydrophobicContact CE1-CB 3.97Å; L167-C183 HydrophobicContact CD2-CB 3.96Å; C183-T187 VanDerWaalsContact CB-OG1 3.29Å; C183-T187 WeakPolarHBondContact CB-OG1 3.23Å |
| 184 | D | 94.7 | Very high | 93.2 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | trans | -72.1 | 163.2 | 176 | -155.5 | -8.4 | 0 | 0 | 0 | 112 | R95 F186 T187 K188 | R95-D184 HydrophobicContact CB-CB 3.97Å; R95-D184 HydrophobicContact CG-CB 4.41Å; R95-D184 IonicContact NH1-OD2 2.81Å; R95-D184 PolarHBondContact O-N 2.98Å; D184-F186 VanDerWaalsContact C-N 3.34Å; D184-F186 PolarHBondContact O-N 3.36Å; D184-T187 VanDerWaalsContact C-OG1 3.25Å; D184-T187 WeakPolarHBondContact CA-OG1 3.42Å; D184-T187 PolarHBondContact N-OG1 2.92Å; D184-T187 PolarHBondContact O-N 3.43Å; D184-T187 PolarHBondContact O-OG1 3.22Å; D184-K188 PolarHBondContact O-N 3.29Å; D184-K188 VanDerWaalsContact O-N 3.08Å | ||
| 185 | L | 94.7 | Very high | 93.1 | Very high | 111 Ų | 111 | 57.5 Ų | 57.5 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | -179.7 | -178.4 | 62.7 | 0 | 0 | 0 | 111.4 | T187 K188 E189 | L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.29Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 2.97Å; L185-K188 VanDerWaalsContact O-N 3.13Å; L185-E189 PolarHBondContact O-N 3.4Å |
| 186 | F | 94.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 55 Ų | 55 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 177.1 | 171.4 | -108.5 | 0 | 0 | 0 | 112.3 | K92 V93 L94 D184 K188 F190 | K92-F186 HydrophobicContact CB-CE1 4.48Å; K92-F186 HydrophobicContact CB-CZ 4.09Å; K92-F186 HydrophobicContact CG-CZ 4.36Å; V93-F186 WeakPolarHBondContact O-CD1 3.37Å; V93-F186 WeakPolarHBondContact O-CE1 3.42Å; L94-F186 HydrophobicContact CD2-CD1 4.41Å; L94-F186 HydrophobicContact CD2-CE1 3.98Å; D184-F186 VanDerWaalsContact C-N 3.34Å; D184-F186 PolarHBondContact O-N 3.36Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 3.16Å; F186-F190 VanDerWaalsContact O-CB 3.24Å; F186-F190 WeakPolarHBondContact O-CB 2.96Å; F186-F190 PolarHBondContact O-N 3.4Å |
| 187 | T | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 177.3 | 33.9 | 0 | 0 | 0 | 0 | 112.9 | L94 R95 C183 D184 L185 M191 | L94-T187 HydrophobicContact CB-CG2 3.38Å; L94-T187 HydrophobicContact CD2-CG2 3.7Å; L94-T187 HydrophobicContact CG-CG2 4.12Å; R95-T187 PolarHBondContact O-OG1 2.66Å; C183-T187 VanDerWaalsContact CB-OG1 3.29Å; C183-T187 WeakPolarHBondContact CB-OG1 3.23Å; D184-T187 VanDerWaalsContact C-OG1 3.25Å; D184-T187 WeakPolarHBondContact CA-OG1 3.42Å; D184-T187 PolarHBondContact N-OG1 2.92Å; D184-T187 PolarHBondContact O-N 3.43Å; D184-T187 PolarHBondContact O-OG1 3.22Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.29Å; T187-M191 WeakPolarHBondContact O-CB 3.45Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.84Å |
| 188 | K | 93.3 | Very high | 92.7 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.7 | -51.6 | 178.1 | -172.6 | 178.8 | -179.7 | 180 | 0 | 110.6 | D184 L185 F186 F190 M191 E192 L198 | D184-K188 PolarHBondContact O-N 3.29Å; D184-K188 VanDerWaalsContact O-N 3.08Å; L185-K188 WeakPolarHBondContact O-CB 3.37Å; L185-K188 PolarHBondContact O-N 2.97Å; L185-K188 VanDerWaalsContact O-N 3.13Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 3.16Å; K188-F190 PolarHBondContact O-N 2.86Å; K188-M191 PolarHBondContact O-N 3.43Å; K188-E192 WeakPolarHBondContact CE-OE1 3.34Å; K188-E192 WeakPolarHBondContact O-CB 3.5Å; K188-E192 VanDerWaalsContact O-CG 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.35Å; K188-E192 PolarHBondContact O-N 3.32Å; K188-L198 HydrophobicContact CB-CD1 4.17Å; K188-L198 HydrophobicContact CG-CD1 3.99Å |
| 189 | E | 93.9 | Very high | 92.6 | Very high | 113 Ų | 113 | 61 Ų | 61 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.1 | -67.5 | 174.4 | 175.6 | 0 | 0 | 112.1 | L185 S193 | L185-E189 PolarHBondContact O-N 3.4Å; E189-S193 WeakPolarHBondContact O-CB 3.43Å; E189-S193 PolarHBondContact O-N 3.01Å; E189-S193 PolarHBondContact O-OG 3.1Å |
| 190 | F | 92.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 66 Ų | 66 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -49 | 177.7 | 178.9 | -94.1 | 0 | 0 | 0 | 111.9 | L94 L123 W162 F186 K188 E192 S193 E194 | L94-F190 HydrophobicContact CD1-CD1 4.04Å; L94-F190 HydrophobicContact CD1-CE1 4.05Å; L94-F190 HydrophobicContact CD2-CB 3.97Å; L94-F190 HydrophobicContact CD2-CD1 3.4Å; L94-F190 HydrophobicContact CD2-CE1 4.03Å; L94-F190 HydrophobicContact CD2-CG 3.73Å; L94-F190 HydrophobicContact CG-CD1 4.32Å; L123-F190 HydrophobicContact CD1-CD1 4.49Å; L123-F190 HydrophobicContact CD1-CD2 4.18Å; L123-F190 HydrophobicContact CD1-CE1 4.01Å; L123-F190 HydrophobicContact CD1-CE2 3.67Å; L123-F190 HydrophobicContact CD1-CZ 3.57Å; L123-F190 HydrophobicContact CD2-CE1 3.93Å; L123-F190 HydrophobicContact CD2-CZ 3.8Å; L123-F190 HydrophobicContact CG-CZ 4.36Å; W162-F190 HydrophobicContact CD2-CE1 4.23Å; W162-F190 HydrophobicContact CE3-CE1 4.14Å; W162-F190 HydrophobicContact CZ3-CE1 4.4Å; F186-F190 VanDerWaalsContact O-CB 3.24Å; F186-F190 WeakPolarHBondContact O-CB 2.96Å; F186-F190 PolarHBondContact O-N 3.4Å; K188-F190 PolarHBondContact O-N 2.86Å; F190-E192 VanDerWaalsContact C-N 3.33Å; F190-E192 PolarHBondContact O-N 3.38Å; F190-S193 PolarHBondContact O-N 3.01Å; F190-S193 PolarHBondContact O-OG 3.29Å; F190-E194 HydrophobicContact CD1-CG 4.4Å; F190-E194 HydrophobicContact CE1-CG 3.95Å; F190-E194 HydrophobicContact CE2-CG 4.09Å; F190-E194 HydrophobicContact CZ-CG 3.78Å; F190-E194 WeakPolarHBondContact O-CG 3.29Å; F190-E194 PolarHBondContact O-N 3.22Å |
| 191 | M | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 179.4 | -71.9 | -65.3 | -167.6 | 0 | 0 | 111.7 | L94 F96 W162 T187 K188 E194 G195 I196 L198 | L94-M191 HydrophobicContact CD1-CE 3.86Å; F96-M191 HydrophobicContact CE2-CE 4.5Å; F96-M191 HydrophobicContact CZ-CE 3.65Å; W162-M191 HydrophobicContact CB-CE 4.3Å; W162-M191 HydrophobicContact CE3-CE 4.23Å; W162-M191 HydrophobicContact CE3-SD 3.79Å; W162-M191 HydrophobicContact CZ3-SD 4.21Å; W162-M191 WeakPolarHBondContact O-CE 3.17Å; T187-M191 WeakPolarHBondContact O-CB 3.45Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.84Å; K188-M191 PolarHBondContact O-N 3.43Å; M191-E194 PolarHBondContact O-N 3.36Å; M191-G195 PolarHBondContact O-N 2.74Å; M191-I196 CarbonylContact C-O 3.4Å; M191-I196 HydrophobicContact CB-CB 4.34Å; M191-I196 PolarHBondContact O-N 3.24Å; M191-I196 HydrophobicContact SD-CB 4.31Å; M191-I196 HydrophobicContact SD-CD1 3.97Å; M191-I196 HydrophobicContact SD-CG2 4.49Å; M191-L198 HydrophobicContact CB-CD1 3.99Å; M191-L198 HydrophobicContact CB-CD2 4.19Å; M191-L198 HydrophobicContact CB-CG 3.99Å; M191-L198 HydrophobicContact CG-CD1 4.34Å; M191-L198 HydrophobicContact CG-CD2 4.12Å; M191-L198 HydrophobicContact CG-CG 4.41Å |
| 192 | E | 92 | Very high | 92.1 | Very high | 111 Ų | 111 | 73.4 Ų | 73.4 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.6 | -73.6 | 175.2 | -171.3 | 0 | 0 | 111.7 | K188 F190 E194 G195 | K188-E192 WeakPolarHBondContact CE-OE1 3.34Å; K188-E192 WeakPolarHBondContact O-CB 3.5Å; K188-E192 VanDerWaalsContact O-CG 3.32Å; K188-E192 WeakPolarHBondContact O-CG 3.35Å; K188-E192 PolarHBondContact O-N 3.32Å; F190-E192 VanDerWaalsContact C-N 3.33Å; F190-E192 PolarHBondContact O-N 3.38Å; E192-E194 VanDerWaalsContact C-N 3.32Å; E192-E194 PolarHBondContact O-N 3.14Å; E192-G195 PolarHBondContact O-N 2.82Å; E192-G195 VanDerWaalsContact O-N 3.16Å |
| 193 | S | 91.2 | Very high | 91.7 | Very high | 90 Ų | 90 | 77.3 Ų | 77.3 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.9 | -32.8 | 178.4 | 74.2 | 0 | 0 | 0 | 0 | 113.6 | E189 F190 G195 | E189-S193 WeakPolarHBondContact O-CB 3.43Å; E189-S193 PolarHBondContact O-N 3.01Å; E189-S193 PolarHBondContact O-OG 3.1Å; F190-S193 PolarHBondContact O-N 3.01Å; F190-S193 PolarHBondContact O-OG 3.29Å; S193-G195 VanDerWaalsContact C-N 3.27Å; S193-G195 PolarHBondContact O-N 3.05Å |
| 194 | E | 88.9 | Confident | 91.3 | Very high | 104 Ų | 104 | 80.2 Ų | 80.2 | 49% | 0.486 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 3.8 | 177.3 | -69.9 | -67 | 149.2 | 0 | 0 | 112.8 | W162 F190 M191 E192 | W162-E194 HydrophobicContact CH2-CB 3.58Å; W162-E194 HydrophobicContact CH2-CG 3.79Å; W162-E194 HydrophobicContact CZ2-CG 4.47Å; W162-E194 HydrophobicContact CZ3-CB 3.7Å; W162-E194 HydrophobicContact CZ3-CG 4.13Å; F190-E194 HydrophobicContact CD1-CG 4.4Å; F190-E194 HydrophobicContact CE1-CG 3.95Å; F190-E194 HydrophobicContact CE2-CG 4.09Å; F190-E194 HydrophobicContact CZ-CG 3.78Å; F190-E194 WeakPolarHBondContact O-CG 3.29Å; F190-E194 PolarHBondContact O-N 3.22Å; M191-E194 PolarHBondContact O-N 3.36Å; E192-E194 VanDerWaalsContact C-N 3.32Å; E192-E194 PolarHBondContact O-N 3.14Å |
| 195 | G | 87.6 | Confident | 90.9 | Very high | 63 Ų | 63 | 79.7 Ų | 79.7 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 15.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | M191 E192 S193 | M191-G195 PolarHBondContact O-N 2.74Å; E192-G195 PolarHBondContact O-N 2.82Å; E192-G195 VanDerWaalsContact O-N 3.16Å; S193-G195 VanDerWaalsContact C-N 3.27Å; S193-G195 PolarHBondContact O-N 3.05Å |
| 196 | I | 89.3 | Confident | 90.4 | Very high | 35 Ų | 35 | 80.6 Ų | 80.6 | 18% | 0.179 | 43% | 0.434 | C | S | . | . | trans | -95.3 | 115.6 | 174.5 | -59.3 | -174.2 | 0 | 0 | 0 | 109.7 | W162 K163 M191 L198 | W162-I196 HydrophobicContact CE3-CD1 3.79Å; W162-I196 HydrophobicContact CH2-CD1 4.46Å; W162-I196 HydrophobicContact CZ3-CD1 3.41Å; W162-I196 VanDerWaalsContact CZ3-CD1 3.41Å; W162-I196 HydrophobicContact CZ3-CG1 4.18Å; K163-I196 HydrophobicContact CB-CD1 4.31Å; K163-I196 HydrophobicContact CG-CD1 4.24Å; M191-I196 CarbonylContact C-O 3.4Å; M191-I196 HydrophobicContact CB-CB 4.34Å; M191-I196 PolarHBondContact O-N 3.24Å; M191-I196 HydrophobicContact SD-CB 4.31Å; M191-I196 HydrophobicContact SD-CD1 3.97Å; M191-I196 HydrophobicContact SD-CG2 4.49Å; I196-L198 PolarHBondContact O-N 3.4Å | ||
| 197 | V | 88.9 | Confident | 89.9 | Confident | 125 Ų | 125 | 77.5 Ų | 77.5 | 76% | 0.758 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 116.2 | 172.4 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | N166 | N166-V197 PolarHBondContact ND2-O 2.7Š|
| 198 | L | 89.8 | Confident | 89.4 | Confident | 26 Ų | 26 | 79.2 Ų | 79.2 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 143.1 | 176.6 | -69.9 | 170.9 | 0 | 0 | 0 | 111.3 | N166 L167 K188 M191 I196 | N166-L198 WeakPolarHBondContact OD1-CA 2.87Å; N166-L198 WeakPolarHBondContact OD1-CD2 3.5Å; L167-L198 HydrophobicContact CD1-CB 4.36Å; L167-L198 HydrophobicContact CG-CD2 4.38Å; K188-L198 HydrophobicContact CB-CD1 4.17Å; K188-L198 HydrophobicContact CG-CD1 3.99Å; M191-L198 HydrophobicContact CB-CD1 3.99Å; M191-L198 HydrophobicContact CB-CD2 4.19Å; M191-L198 HydrophobicContact CB-CG 3.99Å; M191-L198 HydrophobicContact CG-CD1 4.34Å; M191-L198 HydrophobicContact CG-CD2 4.12Å; M191-L198 HydrophobicContact CG-CG 4.41Å; I196-L198 PolarHBondContact O-N 3.4Å |
| 199 | N | 92 | Very high | 88.8 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 168.3 | 173.4 | -65.1 | -29.3 | 0 | 0 | 0 | 111.6 | N166 L167 | N166-N199 PolarHBondContact OD1-N 2.61Å; L167-N199 HydrophobicContact CB-CB 4.09Å; L167-N199 VanDerWaalsContact CD1-O 3.3Å; L167-N199 WeakPolarHBondContact CD1-O 3.43Å; L167-N199 WeakPolarHBondContact O-CB 3.33Å; L167-N199 PolarHBondContact O-ND2 2.76Å |
| 200 | E | 91.2 | Very high | 88.1 | Confident | 173 Ų | 173 | 77.4 Ų | 77.4 | 81% | 0.808 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 140.5 | 173.5 | -65.7 | -176.8 | 172.5 | 0 | 0 | 111.1 | ||
| 201 | P | 92.3 | Very high | 87.5 | Confident | 85 Ų | 85 | 81 Ų | 81 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 136.7 | 179.5 | 27 | -33.9 | 0 | 0 | 0 | 111.2 | L167 S181 | L167-P201 HydrophobicContact CD1-CB 4.47Å; S181-P201 WeakPolarHBondContact O-CA 3.26Å |
| 202 | E | 91.5 | Very high | 86.8 | Confident | 75 Ų | 75 | 87.9 Ų | 87.9 | 35% | 0.35 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 138.3 | 179.3 | -168.5 | 176.6 | 168.1 | 0 | 0 | 110.5 | R179 S181 T204 | R179-E202 IonicContact CZ-OE2 3.74Å; R179-E202 VanDerWaalsContact CZ-OE2 3.27Å; R179-E202 IonicContact NE-OE1 3.7Å; R179-E202 IonicContact NE-OE2 2.8Å; R179-E202 PolarHBondContact NE-OE2 2.72Å; R179-E202 IonicContact NH2-OE2 3.8Å; R179-E202 PolarHBondContact NH2-OE2 3.13Å; S181-E202 WeakPolarHBondContact CB-O 3.3Å; S181-E202 PolarHBondContact O-N 2.67Å; E202-T204 PolarHBondContact O-N 2.91Å |
| 203 | N | 87.8 | Confident | 85.9 | Confident | 150 Ų | 150 | 88.4 Ų | 88.4 | 80% | 0.802 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 127.3 | 173.2 | -72.2 | -45.5 | 0 | 0 | 0 | 110.4 | ||
| 204 | T | 85.1 | Confident | 84.8 | Confident | 75 Ų | 75 | 88.1 Ų | 88.1 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 128.3 | 169.2 | 14.2 | 0 | 0 | 0 | 0 | 110.6 | H99 E202 | H99-T204 HydrophobicContact CB-CG2 3.89Å; H99-T204 VanDerWaalsContact ND1-CG2 3.34Å; H99-T204 WeakPolarHBondContact ND1-CG2 3.29Å; E202-T204 PolarHBondContact O-N 2.91Å |
| 205 | P | 87.6 | Confident | 83.7 | Confident | 45 Ų | 45 | 89 Ų | 89 | 29% | 0.292 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -65 | 139.7 | 178.7 | 24.7 | -30.2 | 0 | 0 | 0 | 110.8 | H99 V114 D207 | H99-P205 WeakPolarHBondContact CE1-CD 2.91Å; H99-P205 WeakPolarHBondContact NE2-CD 3.4Å; H99-P205 WeakPolarHBondContact NE2-CG 3.32Å; V114-P205 HydrophobicContact CG1-CG 3.98Å; V114-P205 HydrophobicContact CG2-CG 4.14Å; P205-D207 PolarHBondContact O-N 2.97Å |
| 206 | E | 82.9 | Confident | 82.2 | Confident | 131 Ų | 131 | 93.9 Ų | 93.9 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -66 | 131.7 | 176.4 | -69.9 | -174.7 | 164.4 | 0 | 0 | 110.9 | P208 K211 | E206-P208 WeakPolarHBondContact O-CD 3.41Å; E206-K211 WeakPolarHBondContact OE2-CD 3.25Å; E206-K211 IonicContact OE2-NZ 3.93Å; E206-K211 PolarHBondContact OE2-NZ 3.09Å |
| 207 | D | 83.3 | Confident | 80.5 | Confident | 15 Ų | 15 | 96.7 Ų | 96.7 | 8% | 0.08 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 122.2 | 172.3 | -173 | -48.4 | 0 | 0 | 0 | 110.2 | R113 V114 P205 Y209 I210 K211 | R113-D207 WeakPolarHBondContact CA-OD2 2.94Å; V114-D207 HydrophobicContact CB-CB 4.2Å; V114-D207 PolarHBondContact N-OD2 3.37Å; P205-D207 PolarHBondContact O-N 2.97Å; D207-Y209 PolarHBondContact O-N 3.48Å; D207-Y209 WeakPolarHBondContact OD1-CA 3.38Å; D207-Y209 VanDerWaalsContact OD1-CB 3.26Å; D207-Y209 WeakPolarHBondContact OD1-CB 3.43Å; D207-Y209 PolarHBondContact OD1-N 3.12Å; D207-I210 HydrophobicContact CB-CB 4.06Å; D207-I210 HydrophobicContact CB-CD1 3.81Å; D207-I210 HydrophobicContact CB-CG1 3.83Å; D207-I210 PolarHBondContact O-N 3.39Å; D207-I210 PolarHBondContact OD1-N 2.89Å; D207-K211 PolarHBondContact O-N 3.41Å |
| 208 | P | 83.8 | Confident | 78.7 | Confident | 37 Ų | 37 | 97.8 Ų | 97.8 | 24% | 0.24 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -55.1 | -34.5 | 179.2 | -25.6 | 34.2 | 0 | 0 | 0 | 114.3 | Y112 E206 R212 | Y112-P208 HydrophobicContact CE1-CG 4.27Å; Y112-P208 HydrophobicContact CE2-CG 4.12Å; E206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-R212 WeakPolarHBondContact O-CG 3.32Å; P208-R212 PolarHBondContact O-N 3Å; P208-R212 VanDerWaalsContact O-N 3.07Å |
| 209 | Y | 81.2 | Confident | 76.9 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 31% | 0.306 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.9 | -44.7 | 179 | 174.4 | -94.5 | 0 | 0 | 0 | 111.7 | E110 D207 K211 R212 R213 | E110-Y209 WeakPolarHBondContact OE2-CB 3.22Å; D207-Y209 PolarHBondContact O-N 3.48Å; D207-Y209 WeakPolarHBondContact OD1-CA 3.38Å; D207-Y209 VanDerWaalsContact OD1-CB 3.26Å; D207-Y209 WeakPolarHBondContact OD1-CB 3.43Å; D207-Y209 PolarHBondContact OD1-N 3.12Å; Y209-K211 VanDerWaalsContact C-N 3.29Å; Y209-K211 PolarHBondContact O-N 3.39Å; Y209-R212 PolarHBondContact O-N 3.19Å; Y209-R213 WeakPolarHBondContact O-CB 3.19Å; Y209-R213 PolarHBondContact O-N 3.18Å |
| 210 | I | 79.4 | Confident | 74.9 | Confident | 97 Ų | 97 | 107.4 Ų | 107.4 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.4 | -61.3 | 179.6 | 0 | 0 | 0 | 110.1 | D207 R213 S214 | D207-I210 HydrophobicContact CB-CB 4.06Å; D207-I210 HydrophobicContact CB-CD1 3.81Å; D207-I210 HydrophobicContact CB-CG1 3.83Å; D207-I210 PolarHBondContact O-N 3.39Å; D207-I210 PolarHBondContact OD1-N 2.89Å; I210-R213 PolarHBondContact O-N 2.99Å; I210-S214 PolarHBondContact O-N 3.2Å; I210-S214 PolarHBondContact O-OG 2.85Å |
| 211 | K | 80.7 | Confident | 72.9 | Confident | 102 Ų | 102 | 106.4 Ų | 106.4 | 44% | 0.443 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 175.7 | -171.1 | 174.6 | -166.1 | 143.4 | 0 | 112.9 | E206 D207 Y209 R213 S214 I215 | E206-K211 WeakPolarHBondContact OE2-CD 3.25Å; E206-K211 IonicContact OE2-NZ 3.93Å; E206-K211 PolarHBondContact OE2-NZ 3.09Å; D207-K211 PolarHBondContact O-N 3.41Å; Y209-K211 VanDerWaalsContact C-N 3.29Å; Y209-K211 PolarHBondContact O-N 3.39Å; K211-R213 VanDerWaalsContact C-N 3.27Å; K211-R213 PolarHBondContact O-N 3.42Å; K211-S214 PolarHBondContact O-N 3.25Å; K211-S214 PolarHBondContact O-OG 3.01Å; K211-I215 HydrophobicContact CG-CD1 3.94Å; K211-I215 WeakPolarHBondContact O-CD1 3.49Å; K211-I215 WeakPolarHBondContact O-CG1 2.91Å; K211-I215 PolarHBondContact O-N 3.27Å; K211-I215 VanDerWaalsContact O-N 3.12Å |
| 212 | R | 76.3 | Confident | 70.8 | Confident | 143 Ų | 143 | 106.2 Ų | 106.2 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -35.5 | 175.5 | -75.2 | 175.1 | -173.6 | -165.9 | -1.1 | 112 | A109 P208 Y209 K216 | A109-R212 PolarHBondContact O-NH1 3.14Å; P208-R212 WeakPolarHBondContact O-CG 3.32Å; P208-R212 PolarHBondContact O-N 3Å; P208-R212 VanDerWaalsContact O-N 3.07Å; Y209-R212 PolarHBondContact O-N 3.19Å; R212-K216 PolarHBondContact O-N 3.21Å |
| 213 | R | 73.4 | Confident | 68.9 | Low | 123 Ų | 123 | 109 Ų | 109 | 46% | 0.464 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -76.2 | -30.4 | 179.3 | -161 | 179.4 | -160.8 | 169.3 | 6.1 | 113.2 | N137 Y209 I210 K211 K216 | N137-R213 PolarHBondContact O-NH1 3.47Å; Y209-R213 WeakPolarHBondContact O-CB 3.19Å; Y209-R213 PolarHBondContact O-N 3.18Å; I210-R213 PolarHBondContact O-N 2.99Å; K211-R213 VanDerWaalsContact C-N 3.27Å; K211-R213 PolarHBondContact O-N 3.42Å; R213-K216 CarbonylContact O-C 3.46Å |
| 214 | S | 69 | Low | 67.2 | Low | 83 Ų | 83 | 110.2 Ų | 110.2 | 58% | 0.58 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -76.7 | -34.6 | 175.1 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | I210 K211 K216 | I210-S214 PolarHBondContact O-N 3.2Å; I210-S214 PolarHBondContact O-OG 2.85Å; K211-S214 PolarHBondContact O-N 3.25Å; K211-S214 PolarHBondContact O-OG 3.01Å; S214-K216 VanDerWaalsContact C-N 3.31Å; S214-K216 PolarHBondContact O-N 3.48Å |
| 215 | I | 65.3 | Low | 65.6 | Low | 122 Ų | 122 | 109.2 Ų | 109.2 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.6 | -30.3 | 177.3 | -67.8 | 165.7 | 0 | 0 | 0 | 112 | K211 P217 | K211-I215 HydrophobicContact CG-CD1 3.94Å; K211-I215 WeakPolarHBondContact O-CD1 3.49Å; K211-I215 WeakPolarHBondContact O-CG1 2.91Å; K211-I215 PolarHBondContact O-N 3.27Å; K211-I215 VanDerWaalsContact O-N 3.12Å; I215-P217 VanDerWaalsContact C-CD 3.5Å; I215-P217 WeakPolarHBondContact O-CD 3.45Å |
| 216 | K | 56.4 | Low | 64 | Low | 166 Ų | 166 | 112.7 Ų | 112.7 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -89.2 | 90.5 | 165.4 | -67.1 | -173.6 | -178.4 | -174.6 | 0 | 106.7 | R212 R213 S214 N218 | R212-K216 PolarHBondContact O-N 3.21Å; R213-K216 CarbonylContact O-C 3.46Å; S214-K216 VanDerWaalsContact C-N 3.31Å; S214-K216 PolarHBondContact O-N 3.48Å; K216-N218 PolarHBondContact O-N 3.44Å; K216-N218 VanDerWaalsContact O-N 3.13Å |
| 217 | P | 52.7 | Low | 62.6 | Low | 94 Ų | 94 | 109.3 Ų | 109.3 | 61% | 0.61 | 56% | 0.556 | S | S | * | * | trans | -50.2 | 135.2 | 166.3 | 24.8 | -32.6 | 0 | 0 | 0 | 105.7 | I215 Q219 | I215-P217 VanDerWaalsContact C-CD 3.5Å; I215-P217 WeakPolarHBondContact O-CD 3.45Å; P217-Q219 PolarHBondContact O-N 3Å | ||
| 218 | N | 51.8 | Low | 61.4 | Low | 148 Ų | 148 | 115.7 Ų | 115.7 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -45.6 | 106.3 | 147.3 | -99.5 | -9.1 | 0 | 0 | 0 | 102.3 | K216 E220 | K216-N218 PolarHBondContact O-N 3.44Å; K216-N218 VanDerWaalsContact O-N 3.13Å; N218-E220 PolarHBondContact O-N 2.89Å | ||
| 219 | Q | 51.6 | Low | 60.4 | Low | 153 Ų | 153 | 121.2 Ų | 121.2 | 72% | 0.715 | 60% | 0.604 | S | S | * | * | trans | -55.9 | 98.3 | 158.1 | -76.7 | -178 | -25.8 | 0 | 0 | 100.1 | P217 H221 | P217-Q219 PolarHBondContact O-N 3Å; Q219-H221 PolarHBondContact O-N 3.07Å | ||
| 220 | E | 50.1 | Low | 60 | Low | 161 Ų | 161 | 123.7 Ų | 123.7 | 75% | 0.752 | 62% | 0.618 | S | S | * | * | trans | -45.3 | 109.2 | 152.4 | -71.8 | -174.4 | 170.8 | 0 | 0 | 100.7 | N218 V222 | N218-E220 PolarHBondContact O-N 2.89Å; E220-V222 HydrophobicContact CB-CG2 3.84Å; E220-V222 PolarHBondContact O-N 3.44Å | ||
| 221 | H | 49.4 | Very low | 59.8 | Low | 151 Ų | 151 | 126.7 Ų | 126.7 | 70% | 0.699 | 63% | 0.627 | S | S | * | * | trans | -64 | 75.5 | 165.3 | -77.1 | -83.3 | 0 | 0 | 0 | 103 | Q219 N223 | Q219-H221 PolarHBondContact O-N 3.07Å; H221-N223 PolarHBondContact O-N 3.28Å | ||
| 222 | V | 48.4 | Very low | 59.9 | Low | 81 Ų | 81 | 126.4 Ų | 126.4 | 49% | 0.491 | 63% | 0.63 | S | S | . | * | trans | -63.4 | 91 | 161.6 | 177 | 0 | 0 | 0 | 0 | 99.9 | E220 K224 | E220-V222 HydrophobicContact CB-CG2 3.84Å; E220-V222 PolarHBondContact O-N 3.44Å; V222-K224 HydrophobicContact CG1-CB 3.94Å; V222-K224 HydrophobicContact CG1-CD 3.57Å; V222-K224 HydrophobicContact CG1-CG 3.5Å; V222-K224 VanDerWaalsContact CG1-CG 3.5Å; V222-K224 PolarHBondContact O-N 3.3Å | ||
| 223 | N | 51.6 | Low | 60.3 | Low | 133 Ų | 133 | 125.8 Ų | 125.8 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | trans | -66.2 | 47 | 170.1 | -68.6 | -39.4 | 0 | 0 | 0 | 108.3 | H221 S225 | H221-N223 PolarHBondContact O-N 3.28Å; N223-S225 PolarHBondContact O-N 3Å; N223-S225 PolarHBondContact O-OG 2.88Å | ||
| 224 | K | 51.7 | Low | 60.8 | Low | 176 Ų | 176 | 124.5 Ų | 124.5 | 77% | 0.765 | 62% | 0.624 | S | S | * | * | trans | -67 | 87.7 | 156.1 | -83.1 | 174.2 | -172.8 | -178 | 0 | 103.9 | V222 P226 | V222-K224 HydrophobicContact CG1-CB 3.94Å; V222-K224 HydrophobicContact CG1-CD 3.57Å; V222-K224 HydrophobicContact CG1-CG 3.5Å; V222-K224 VanDerWaalsContact CG1-CG 3.5Å; V222-K224 PolarHBondContact O-N 3.3Å; K224-P226 WeakPolarHBondContact O-CD 3.46Å | ||
| 225 | S | 50.8 | Low | 61.5 | Low | 54 Ų | 54 | 125.1 Ų | 125.1 | 38% | 0.378 | 62% | 0.616 | S | S | . | * | trans | -90.4 | 84.8 | 160.7 | 29.5 | 0 | 0 | 0 | 0 | 105.9 | N223 A227 K228 | N223-S225 PolarHBondContact O-N 3Å; N223-S225 PolarHBondContact O-OG 2.88Å; S225-A227 PolarHBondContact O-N 3.46Å; S225-A227 VanDerWaalsContact O-N 3.14Å; S225-K228 PolarHBondContact O-N 3.12Å | ||
| 226 | P | 53.8 | Low | 62.6 | Low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -22 | 178.2 | 24.2 | -33.9 | 0 | 0 | 0 | 112.2 | K224 K228 | K224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-K228 PolarHBondContact O-N 2.78Å |
| 227 | A | 54.3 | Low | 64 | Low | 59 Ų | 59 | 122.5 Ų | 122.5 | 49% | 0.488 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.3 | -6.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S225 | S225-A227 PolarHBondContact O-N 3.46Å; S225-A227 VanDerWaalsContact O-N 3.14Å |
| 228 | K | 57.5 | Low | 65.7 | Low | 149 Ų | 149 | 120.2 Ų | 120.2 | 65% | 0.648 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.1 | -31.2 | -178.9 | -79.3 | -176.8 | -179.5 | 176.9 | 0 | 113.2 | S225 P226 L232 | S225-K228 PolarHBondContact O-N 3.12Å; P226-K228 PolarHBondContact O-N 2.78Å; K228-L232 VanDerWaalsContact O-CB 3.31Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 2.87Å; K228-L232 VanDerWaalsContact O-N 3.12Å |
| 229 | F | 63.2 | Low | 67.3 | Low | 154 Ų | 154 | 121 Ų | 121 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.3 | -46.2 | -175.3 | -171.9 | -98.4 | 0 | 0 | 0 | 112.3 | L232 Y233 | F229-L232 PolarHBondContact O-N 2.78Å; F229-Y233 VanDerWaalsContact O-CB 3.32Å; F229-Y233 WeakPolarHBondContact O-CB 3.5Å; F229-Y233 PolarHBondContact O-N 3.01Å |
| 230 | E | 71.8 | Confident | 68.8 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66 | -42.4 | 179.1 | -70.7 | -166.3 | 161.1 | 0 | 0 | 112.9 | L232 Y233 R234 | E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 2.93Å; E230-Y233 PolarHBondContact O-N 2.83Å; E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 WeakPolarHBondContact O-CG 3.09Å; E230-R234 PolarHBondContact O-N 3.45Å |
| 231 | K | 75.4 | Confident | 70.8 | Confident | 160 Ų | 160 | 112.3 Ų | 112.3 | 70% | 0.696 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.4 | -42.6 | 176.6 | -73.7 | -173.3 | 178.8 | -175.4 | 0 | 111.3 | F235 | K231-F235 WeakPolarHBondContact O-CB 3.31Å; K231-F235 PolarHBondContact O-N 2.97Å |
| 232 | L | 82.4 | Confident | 73 | Confident | 95 Ų | 95 | 106.8 Ų | 106.8 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 176.5 | -177.7 | 63.3 | 0 | 0 | 0 | 111.7 | K228 F229 E230 F235 L236 | K228-L232 VanDerWaalsContact O-CB 3.31Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 2.87Å; K228-L232 VanDerWaalsContact O-N 3.12Å; F229-L232 PolarHBondContact O-N 2.78Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 2.93Å; L232-F235 WeakPolarHBondContact O-CB 3.02Å; L232-F235 PolarHBondContact O-N 3Å; L232-L236 HydrophobicContact CD1-CD1 4.26Å; L232-L236 HydrophobicContact CD1-CG 4.23Å; L232-L236 HydrophobicContact CG-CD1 4.01Å; L232-L236 HydrophobicContact CG-CG 4.38Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.26Å; L232-L236 PolarHBondContact O-N 3.34Å |
| 233 | Y | 84.8 | Confident | 75.2 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 177.7 | -178.4 | -91.3 | 0 | 0 | 0 | 111.8 | F229 E230 F235 L236 H237 | F229-Y233 VanDerWaalsContact O-CB 3.32Å; F229-Y233 WeakPolarHBondContact O-CB 3.5Å; F229-Y233 PolarHBondContact O-N 3.01Å; E230-Y233 PolarHBondContact O-N 2.83Å; Y233-F235 VanDerWaalsContact C-N 3.32Å; Y233-F235 PolarHBondContact O-N 3.26Å; Y233-L236 PolarHBondContact O-N 3.46Å; Y233-H237 AromaticContact CD2-CD2 3.59Å; Y233-H237 AromaticContact CD2-NE2 3.81Å; Y233-H237 AromaticContact CE1-CD2 3.86Å; Y233-H237 AromaticContact CE2-CD2 3.29Å; Y233-H237 WeakPolarHBondContact CE2-CD2 3.34Å; Y233-H237 AromaticContact CE2-NE2 3.26Å; Y233-H237 VanDerWaalsContact CE2-NE2 3.26Å; Y233-H237 WeakPolarHBondContact CE2-NE2 3.46Å; Y233-H237 AromaticContact CG-CD2 4Å; Y233-H237 AromaticContact CZ-CD2 3.43Å; Y233-H237 VanDerWaalsContact CZ-CD2 3.43Å; Y233-H237 AromaticContact CZ-NE2 3.7Å; Y233-H237 PolarHBondContact O-CD2 3.22Å; Y233-H237 PolarHBondContact O-N 2.97Å |
| 234 | R | 83.9 | Confident | 77.3 | Confident | 97 Ų | 97 | 100 Ų | 100 | 37% | 0.366 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 174.3 | -73.5 | -173.9 | -167.4 | -162.5 | 4.5 | 111.1 | E230 I238 D271 | E230-R234 WeakPolarHBondContact O-CB 3.43Å; E230-R234 WeakPolarHBondContact O-CG 3.09Å; E230-R234 PolarHBondContact O-N 3.45Å; R234-I238 HydrophobicContact CB-CD1 4.45Å; R234-I238 HydrophobicContact CG-CD1 4.38Å; R234-I238 WeakPolarHBondContact O-CA 3.5Å; R234-I238 WeakPolarHBondContact O-CB 3.49Å; R234-I238 PolarHBondContact O-N 2.97Å; R234-D271 IonicContact NH1-OD2 3.03Å; R234-D271 PolarHBondContact NH1-OD2 3Å |
| 235 | F | 85.3 | Confident | 79.4 | Confident | 95 Ų | 95 | 91.6 Ų | 91.6 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 174.5 | -176.5 | -95 | 0 | 0 | 0 | 111 | K231 L232 Y233 H237 Y239 V269 | K231-F235 WeakPolarHBondContact O-CB 3.31Å; K231-F235 PolarHBondContact O-N 2.97Å; L232-F235 WeakPolarHBondContact O-CB 3.02Å; L232-F235 PolarHBondContact O-N 3Å; Y233-F235 VanDerWaalsContact C-N 3.32Å; Y233-F235 PolarHBondContact O-N 3.26Å; F235-H237 VanDerWaalsContact C-N 3.35Å; F235-H237 PolarHBondContact O-N 3.07Å; F235-Y239 AromaticContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CE2 4.34Å; F235-Y239 HydrophobicContact CD2-CG 4.5Å; F235-Y239 HydrophobicContact CE1-CD2 4.49Å; F235-Y239 AromaticContact CE2-CD2 3.21Å; F235-Y239 HydrophobicContact CE2-CD2 3.21Å; F235-Y239 AromaticContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CE2 3.41Å; F235-Y239 VanDerWaalsContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CG 4.12Å; F235-Y239 AromaticContact CZ-CD2 3.65Å; F235-Y239 HydrophobicContact CZ-CD2 3.65Å; F235-Y239 AromaticContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CG 4.22Å; F235-Y239 WeakPolarHBondContact O-CA 3.26Å; F235-Y239 WeakPolarHBondContact O-CB 3.01Å; F235-Y239 PolarHBondContact O-N 2.77Å; F235-V269 HydrophobicContact CB-CG1 4.37Å; F235-V269 HydrophobicContact CD2-CG1 4.16Å |
| 236 | L | 87.9 | Confident | 81.4 | Confident | 118 Ų | 118 | 91.8 Ų | 91.8 | 62% | 0.618 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.6 | -36.4 | -175.6 | -68.2 | 171.9 | 0 | 0 | 0 | 114.2 | L232 Y233 | L232-L236 HydrophobicContact CD1-CD1 4.26Å; L232-L236 HydrophobicContact CD1-CG 4.23Å; L232-L236 HydrophobicContact CG-CD1 4.01Å; L232-L236 HydrophobicContact CG-CG 4.38Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.26Å; L232-L236 PolarHBondContact O-N 3.34Å; Y233-L236 PolarHBondContact O-N 3.46Å |
| 237 | H | 85.6 | Confident | 83.3 | Confident | 115 Ų | 115 | 86.1 Ų | 86.1 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -94 | -28.3 | -175.1 | -74.5 | -76.1 | 0 | 0 | 0 | 114.7 | Y233 F235 | Y233-H237 AromaticContact CD2-CD2 3.59Å; Y233-H237 AromaticContact CD2-NE2 3.81Å; Y233-H237 AromaticContact CE1-CD2 3.86Å; Y233-H237 AromaticContact CE2-CD2 3.29Å; Y233-H237 WeakPolarHBondContact CE2-CD2 3.34Å; Y233-H237 AromaticContact CE2-NE2 3.26Å; Y233-H237 VanDerWaalsContact CE2-NE2 3.26Å; Y233-H237 WeakPolarHBondContact CE2-NE2 3.46Å; Y233-H237 AromaticContact CG-CD2 4Å; Y233-H237 AromaticContact CZ-CD2 3.43Å; Y233-H237 VanDerWaalsContact CZ-CD2 3.43Å; Y233-H237 AromaticContact CZ-NE2 3.7Å; Y233-H237 PolarHBondContact O-CD2 3.22Å; Y233-H237 PolarHBondContact O-N 2.97Å; F235-H237 VanDerWaalsContact C-N 3.35Å; F235-H237 PolarHBondContact O-N 3.07Å |
| 238 | I | 87.6 | Confident | 85 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -111.9 | -6.6 | -170.5 | -53.1 | 176.5 | 0 | 0 | 0 | 111 | R234 G240 Q241 L268 V269 | R234-I238 HydrophobicContact CB-CD1 4.45Å; R234-I238 HydrophobicContact CG-CD1 4.38Å; R234-I238 WeakPolarHBondContact O-CA 3.5Å; R234-I238 WeakPolarHBondContact O-CB 3.49Å; R234-I238 PolarHBondContact O-N 2.97Å; I238-G240 PolarHBondContact O-N 3.35Å; I238-Q241 HydrophobicContact CG2-CB 4.11Å; I238-Q241 VanDerWaalsContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CG 3.4Å; I238-Q241 PolarHBondContact O-N 3.35Å; I238-L268 HydrophobicContact CG2-CB 3.32Å; I238-L268 HydrophobicContact CG2-CD1 4.46Å; I238-V269 HydrophobicContact CB-CG2 4.3Å; I238-V269 HydrophobicContact CG2-CG2 4.18Å; I238-V269 WeakPolarHBondContact O-CG2 3.49Å |
| 239 | Y | 85.8 | Confident | 86.5 | Confident | 164 Ų | 164 | 79 Ų | 79 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 133.3 | -179.7 | -177 | -100.7 | 0 | 0 | 0 | 113.1 | F235 Q241 | F235-Y239 AromaticContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CD2 3.73Å; F235-Y239 HydrophobicContact CD2-CE2 4.34Å; F235-Y239 HydrophobicContact CD2-CG 4.5Å; F235-Y239 HydrophobicContact CE1-CD2 4.49Å; F235-Y239 AromaticContact CE2-CD2 3.21Å; F235-Y239 HydrophobicContact CE2-CD2 3.21Å; F235-Y239 AromaticContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CE2 3.41Å; F235-Y239 VanDerWaalsContact CE2-CE2 3.41Å; F235-Y239 HydrophobicContact CE2-CG 4.12Å; F235-Y239 AromaticContact CZ-CD2 3.65Å; F235-Y239 HydrophobicContact CZ-CD2 3.65Å; F235-Y239 AromaticContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CE2 3.72Å; F235-Y239 HydrophobicContact CZ-CG 4.22Å; F235-Y239 WeakPolarHBondContact O-CA 3.26Å; F235-Y239 WeakPolarHBondContact O-CB 3.01Å; F235-Y239 PolarHBondContact O-N 2.77Å; Y239-Q241 VanDerWaalsContact C-N 3.27Å; Y239-Q241 PolarHBondContact O-N 3.05Å |
| 240 | G | 84.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 73 Ų | 73 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -9.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I238 V242 | I238-G240 PolarHBondContact O-N 3.35Å; G240-V242 PolarHBondContact O-N 3.5Å |
| 241 | Q | 91.9 | Very high | 87.4 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | trans | -83.8 | 112.8 | 174.4 | -59.7 | -177.3 | -5.1 | 0 | 0 | 110.4 | I238 Y239 L268 F348 | I238-Q241 HydrophobicContact CG2-CB 4.11Å; I238-Q241 VanDerWaalsContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CB 3.26Å; I238-Q241 WeakPolarHBondContact O-CG 3.4Å; I238-Q241 PolarHBondContact O-N 3.35Å; Y239-Q241 VanDerWaalsContact C-N 3.27Å; Y239-Q241 PolarHBondContact O-N 3.05Å; Q241-L268 HydrophobicContact CB-CD1 3.96Å; Q241-L268 PolarHBondContact O-N 3.26Å; Q241-F348 HydrophobicContact CB-CE1 4.18Å; Q241-F348 HydrophobicContact CB-CZ 3.76Å; Q241-F348 HydrophobicContact CG-CZ 3.91Å | ||
| 242 | V | 95.3 | Very high | 86.6 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 21% | 0.212 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.8 | -178.1 | -173 | 0 | 0 | 0 | 0 | 108.7 | G240 Y265 Y266 Y267 F348 | G240-V242 PolarHBondContact O-N 3.5Å; V242-Y265 HydrophobicContact CG1-CD1 4Å; V242-Y265 HydrophobicContact CG1-CG 4.46Å; V242-Y266 WeakPolarHBondContact CA-O 2.93Å; V242-Y266 WeakPolarHBondContact CG1-O 3.18Å; V242-Y267 HydrophobicContact CB-CD1 4.43Å; V242-Y267 HydrophobicContact CG1-CD1 4.04Å; V242-Y267 HydrophobicContact CG1-CE1 4.09Å; V242-Y267 HydrophobicContact CG1-CG 4.34Å; V242-Y267 HydrophobicContact CG2-CD1 3.5Å; V242-Y267 HydrophobicContact CG2-CE1 3.76Å; V242-Y267 HydrophobicContact CG2-CG 4.39Å; V242-F348 WeakPolarHBondContact O-CD1 3.5Å |
| 243 | L | 95 | Very high | 85.3 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 130.8 | 172.4 | -47.9 | 173.5 | 0 | 0 | 0 | 108.3 | F245 Y265 Y266 L268 P324 F348 T349 Y352 Y353 | L243-F245 HydrophobicContact CB-CE2 3.73Å; L243-F245 HydrophobicContact CB-CZ 4.08Å; L243-Y265 CarbonylContact O-C 3.44Å; L243-Y265 WeakPolarHBondContact O-CA 3.48Å; L243-Y266 HydrophobicContact CD1-CD1 4.14Å; L243-Y266 PolarHBondContact N-O 3.41Å; L243-Y266 PolarHBondContact O-N 3.41Å; L243-L268 HydrophobicContact CD1-CD2 3.86Å; L243-L268 HydrophobicContact CD1-CG 4.41Å; L243-L268 HydrophobicContact CD2-CD1 4.1Å; L243-L268 HydrophobicContact CG-CD1 4.23Å; L243-L268 HydrophobicContact CG-CD2 4.14Å; L243-L268 HydrophobicContact CG-CG 4.14Å; L243-P324 HydrophobicContact CD1-CB 4.05Å; L243-P324 HydrophobicContact CD1-CG 4.36Å; L243-F348 HydrophobicContact CD2-CD1 4.47Å; L243-F348 HydrophobicContact CD2-CE1 4.08Å; L243-T349 WeakPolarHBondContact CA-OG1 3.28Å; L243-T349 HydrophobicContact CB-CG2 3.93Å; L243-T349 HydrophobicContact CD2-CG2 4.13Å; L243-Y352 HydrophobicContact CD1-CD1 4.03Å; L243-Y352 HydrophobicContact CD1-CE1 3.91Å; L243-Y352 HydrophobicContact CD2-CD1 3.5Å; L243-Y352 HydrophobicContact CD2-CD2 4.19Å; L243-Y352 HydrophobicContact CD2-CE1 4.11Å; L243-Y352 HydrophobicContact CD2-CG 3.56Å; L243-Y352 HydrophobicContact CG-CD1 4.4Å; L243-Y353 HydrophobicContact CD1-CE2 3.9Å |
| 244 | R | 95.8 | Very high | 83.7 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.7 | -177.2 | 179.8 | 178 | 72.2 | -176.1 | -0.7 | 109.5 | Y246 I263 I264 Y265 C345 D346 T349 | R244-Y246 PolarHBondContact NE-OH 2.65Å; R244-Y246 PolarHBondContact NH2-OH 3.45Å; R244-Y246 VanDerWaalsContact NH2-OH 3.1Å; R244-I263 HydrophobicContact CG-CG2 3.71Å; R244-I264 WeakPolarHBondContact CA-O 3.44Å; R244-Y265 HydrophobicContact CB-CD1 4.25Å; R244-Y265 HydrophobicContact CB-CE1 4.33Å; R244-Y265 HydrophobicContact CG-CD1 4.16Å; R244-Y265 HydrophobicContact CG-CE1 3.86Å; R244-C345 WeakPolarHBondContact O-CA 3.39Å; R244-D346 HydrophobicContact CB-CB 3.93Å; R244-D346 HydrophobicContact CG-CB 4.48Å; R244-D346 IonicContact CZ-OD1 3.79Å; R244-D346 IonicContact CZ-OD2 3.1Å; R244-D346 IonicContact NE-OD2 3.46Å; R244-D346 PolarHBondContact NE-OD2 3.4Å; R244-D346 IonicContact NH2-OD1 3.91Å; R244-D346 PolarHBondContact NH2-OD1 2.82Å; R244-D346 IonicContact NH2-OD2 2.69Å; R244-D346 PolarHBondContact NH2-OD2 3.03Å; R244-D346 VanDerWaalsContact NH2-OD2 3.11Å; R244-D346 PolarHBondContact O-N 2.92Å; R244-T349 PolarHBondContact N-OG1 2.81Å; R244-T349 PolarHBondContact O-OG1 3Å |
| 245 | F | 95.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.1 | 178.1 | -54.9 | -88 | 0 | 0 | 0 | 110.6 | L243 I263 I264 F327 L329 L342 C345 T349 Y353 | L243-F245 HydrophobicContact CB-CE2 3.73Å; L243-F245 HydrophobicContact CB-CZ 4.08Å; F245-I263 WeakPolarHBondContact O-CA 3.34Å; F245-I264 HydrophobicContact CB-CB 4.4Å; F245-I264 PolarHBondContact N-O 3.19Å; F245-I264 PolarHBondContact O-N 2.95Å; F245-F327 HydrophobicContact CD1-CB 4.49Å; F245-F327 AromaticContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CG 4.38Å; F245-F327 HydrophobicContact CE1-CB 3.88Å; F245-F327 HydrophobicContact CE2-CB 3.93Å; F245-F327 AromaticContact CE2-CD1 3.96Å; F245-F327 HydrophobicContact CE2-CD1 3.96Å; F245-F327 AromaticContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CZ-CB 3.56Å; F245-F327 HydrophobicContact CZ-CD1 4.44Å; F245-F327 HydrophobicContact CZ-CG 4.04Å; F245-L329 HydrophobicContact CD1-CD2 4.35Å; F245-L342 HydrophobicContact CB-CD2 4.06Å; F245-C345 HydrophobicContact CD1-CB 3.89Å; F245-C345 HydrophobicContact CE1-CB 4.3Å; F245-T349 HydrophobicContact CD1-CG2 4.32Å; F245-T349 HydrophobicContact CE1-CG2 3.65Å; F245-T349 HydrophobicContact CE2-CG2 4.38Å; F245-T349 HydrophobicContact CZ-CG2 3.68Å; F245-Y353 HydrophobicContact CE1-CE2 4.14Å; F245-Y353 AromaticContact CZ-CE2 3.74Å; F245-Y353 HydrophobicContact CZ-CE2 3.74Å; F245-Y353 AromaticContact CZ-CZ 3.97Å; F245-Y353 WeakPolarHBondContact CZ-OH 3Å |
| 246 | Y | 94 | Very high | 80.9 | Confident | 59 Ų | 59 | 75.6 Ų | 75.6 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.3 | 171.3 | -59.8 | -77 | 0 | 0 | 0 | 108.6 | R244 I263 Y343 D344 | R244-Y246 PolarHBondContact NE-OH 2.65Å; R244-Y246 PolarHBondContact NH2-OH 3.45Å; R244-Y246 VanDerWaalsContact NH2-OH 3.1Å; Y246-I263 HydrophobicContact CD1-CG1 4.08Å; Y246-I263 HydrophobicContact CE1-CD1 4.23Å; Y246-I263 HydrophobicContact CE1-CG1 4.24Å; Y246-Y343 WeakPolarHBondContact O-CD1 3.38Å; Y246-Y343 PolarHBondContact O-N 3.49Å; Y246-D344 HydrophobicContact CD2-CB 4.11Å; Y246-D344 PolarHBondContact N-O 2.82Å; Y246-D344 PolarHBondContact O-N 3.19Å |
| 247 | G | 91.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P261 V262 F341 Y343 | G247-P261 WeakPolarHBondContact O-CA 3.25Å; G247-V262 PolarHBondContact N-O 3.45Å; G247-V262 PolarHBondContact O-N 3.45Å; G247-V262 VanDerWaalsContact O-O 3.09Å; G247-F341 CarbonylContact C-O 3.45Å; G247-F341 WeakPolarHBondContact CA-O 3.37Å; G247-Y343 WeakPolarHBondContact O-CE1 3.44Å |
| 248 | Q | 90.6 | Very high | 78.4 | Confident | 30 Ų | 30 | 72.7 Ų | 72.7 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.7 | 170.6 | -64.8 | -171.4 | -16.4 | 0 | 0 | 109.4 | V250 W260 F340 F341 Y343 I367 | Q248-V250 PolarHBondContact O-N 3.26Å; Q248-W260 CarbonylContact C-O 3.5Å; Q248-W260 VanDerWaalsContact CA-O 3.24Å; Q248-W260 WeakPolarHBondContact CA-O 3.33Å; Q248-F340 CarbonylContact O-C 3.6Å; Q248-F340 WeakPolarHBondContact O-CA 3.46Å; Q248-F341 PolarHBondContact N-O 2.8Å; Q248-F341 PolarHBondContact O-N 3.38Å; Q248-Y343 HydrophobicContact CG-CD1 4.16Å; Q248-Y343 HydrophobicContact CG-CE1 3.99Å; Q248-I367 HydrophobicContact CG-CD1 4.13Å |
| 249 | W | 89.1 | Confident | 78 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.7 | 166.2 | 178.1 | 39.7 | 0 | 0 | 0 | 108.2 | E251 T259 W260 V262 F291 H338 F340 | W249-E251 HydrophobicContact CZ2-CB 4.28Å; W249-E251 HydrophobicContact CZ2-CG 4.29Å; W249-T259 WeakPolarHBondContact O-CA 3.31Å; W249-W260 HydrophobicContact CB-CE3 4.19Å; W249-W260 AromaticContact CD2-CE3 3.48Å; W249-W260 HydrophobicContact CD2-CE3 3.48Å; W249-W260 VanDerWaalsContact CD2-CE3 3.48Å; W249-W260 AromaticContact CD2-CZ3 3.52Å; W249-W260 HydrophobicContact CD2-CZ3 3.52Å; W249-W260 AromaticContact CE2-CZ3 3.89Å; W249-W260 AromaticContact CE3-CD2 3.71Å; W249-W260 HydrophobicContact CE3-CD2 3.71Å; W249-W260 AromaticContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CG 4.47Å; W249-W260 AromaticContact CE3-CH2 3.94Å; W249-W260 HydrophobicContact CE3-CH2 3.94Å; W249-W260 AromaticContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CG-CE3 4.1Å; W249-W260 HydrophobicContact CG-CZ3 4.41Å; W249-W260 HydrophobicContact CH2-CE3 4.07Å; W249-W260 AromaticContact CH2-CH2 3.55Å; W249-W260 HydrophobicContact CH2-CH2 3.55Å; W249-W260 AromaticContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CZ2-CH2 4.38Å; W249-W260 AromaticContact CZ2-CZ3 3.78Å; W249-W260 HydrophobicContact CZ2-CZ3 3.78Å; W249-W260 AromaticContact CZ3-CD2 3.93Å; W249-W260 HydrophobicContact CZ3-CD2 3.93Å; W249-W260 AromaticContact CZ3-CE3 3.25Å; W249-W260 HydrophobicContact CZ3-CE3 3.25Å; W249-W260 AromaticContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CZ2 4.07Å; W249-W260 AromaticContact CZ3-CZ3 2.9Å; W249-W260 HydrophobicContact CZ3-CZ3 2.9Å; W249-W260 PolarHBondContact N-O 3.09Å; W249-W260 PolarHBondContact O-N 3.06Å; W249-V262 HydrophobicContact CB-CG1 4.04Å; W249-F291 AromaticContact CD2-CE2 3.98Å; W249-F291 HydrophobicContact CD2-CE2 3.98Å; W249-F291 AromaticContact CD2-CZ 3.9Å; W249-F291 HydrophobicContact CD2-CZ 3.9Å; W249-F291 AromaticContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CZ 4.06Å; W249-F291 HydrophobicContact CG-CZ 4.34Å; W249-F291 HydrophobicContact CZ3-CE2 4.06Å; W249-F291 HydrophobicContact CZ3-CZ 4.49Å; W249-H338 AromaticContact CE2-ND1 3.91Å; W249-H338 AromaticContact CZ2-ND1 3.97Å; W249-H338 AromaticContact NE1-ND1 3.6Å; W249-F340 HydrophobicContact CB-CD1 3.84Å; W249-F340 HydrophobicContact CB-CE1 3.75Å; W249-F340 AromaticContact CD1-CE1 3.81Å; W249-F340 HydrophobicContact CG-CD1 4.31Å; W249-F340 AromaticContact CG-CE1 3.93Å; W249-F340 HydrophobicContact CG-CE1 3.93Å |
| 250 | V | 81.2 | Confident | 77.9 | Confident | 27 Ų | 27 | 67 Ų | 67 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.2 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | Q248 T259 H339 F341 | Q248-V250 PolarHBondContact O-N 3.26Å; V250-T259 HydrophobicContact CG2-CG2 4.36Å; V250-H339 PolarHBondContact N-O 2.86Å; V250-F341 HydrophobicContact CG2-CB 4.03Å |
| 251 | E | 73.4 | Confident | 78.1 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -72.4 | 130.8 | 169.9 | -163 | 159.2 | -135.6 | 0 | 0 | 109.3 | W249 D253 W260 | W249-E251 HydrophobicContact CZ2-CB 4.28Å; W249-E251 HydrophobicContact CZ2-CG 4.29Å; E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 2.79Å; E251-W260 HydrophobicContact CB-CH2 4.18Å; E251-W260 HydrophobicContact CB-CZ3 3.94Å; E251-W260 WeakPolarHBondContact OE2-CH2 3.47Å | ||
| 252 | C | 57.8 | Low | 78.2 | Confident | 93 Ų | 93 | 62 Ų | 62 | 63% | 0.628 | 32% | 0.323 | S | S | * | . | trans | -81.8 | 0.3 | -175.2 | -92.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 253 | D | 54.8 | Low | 78.1 | Confident | 127 Ų | 127 | 62 Ų | 62 | 68% | 0.679 | 32% | 0.321 | S | S | * | . | trans | -93 | 130.1 | -176 | -77.3 | -21.6 | 0 | 0 | 0 | 113.6 | E251 Y255 | E251-D253 VanDerWaalsContact C-N 3.28Å; E251-D253 PolarHBondContact O-N 2.79Å; D253-Y255 PolarHBondContact O-N 2.96Å; D253-Y255 VanDerWaalsContact O-N 3.09Å | ||
| 254 | A | 52.2 | Low | 78.2 | Confident | 96 Ų | 96 | 62 Ų | 62 | 79% | 0.793 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 12.3 | -145.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 255 | Y | 57.3 | Low | 78.2 | Confident | 228 Ų | 228 | 60.9 Ų | 60.9 | 89% | 0.894 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -30.6 | -170.8 | -72.4 | -81.4 | 0 | 0 | 0 | 115 | D253 | D253-Y255 PolarHBondContact O-N 2.96Å; D253-Y255 VanDerWaalsContact O-N 3.09Å |
| 256 | Q | 53 | Low | 78.2 | Confident | 140 Ų | 140 | 61 Ų | 61 | 65% | 0.654 | 32% | 0.318 | S | S | * | . | trans | -151.9 | 111.4 | 172.4 | -92.8 | 171.2 | -19.1 | 0 | 0 | 108 | H258 | Q256-H258 VanDerWaalsContact C-N 3.26Å; Q256-H258 VanDerWaalsContact CB-CE1 3.5Å; Q256-H258 WeakPolarHBondContact CB-CE1 3.44Å; Q256-H258 PolarHBondContact O-N 3.45Å; Q256-H258 PolarHBondContact O-ND1 2.67Å; Q256-H258 PolarHBondContact OE1-CE1 3.35Å | ||
| 257 | S | 56.3 | Low | 78.2 | Confident | 84 Ų | 84 | 60 Ų | 60 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | trans | -71.7 | 83 | 174.8 | 60.7 | 0 | 0 | 0 | 0 | 109.8 | T259 | S257-T259 PolarHBondContact O-N 3.4Š| ||
| 258 | H | 65.1 | Low | 78.3 | Confident | 87 Ų | 87 | 60.5 Ų | 60.5 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | trans | -74.2 | 123.7 | 165.5 | -64.5 | 95.7 | 0 | 0 | 0 | 107.6 | Q256 W260 | Q256-H258 VanDerWaalsContact C-N 3.26Å; Q256-H258 VanDerWaalsContact CB-CE1 3.5Å; Q256-H258 WeakPolarHBondContact CB-CE1 3.44Å; Q256-H258 PolarHBondContact O-N 3.45Å; Q256-H258 PolarHBondContact O-ND1 2.67Å; Q256-H258 PolarHBondContact OE1-CE1 3.35Å; H258-W260 HydrophobicContact CB-CD2 4.36Å; H258-W260 HydrophobicContact CB-CH2 3.69Å; H258-W260 HydrophobicContact CB-CZ2 3.3Å; H258-W260 HydrophobicContact CB-CZ3 4.26Å | ||
| 259 | T | 78.3 | Confident | 78.3 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 34% | 0.344 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.8 | 174.1 | 49.1 | 0 | 0 | 0 | 0 | 107.6 | W249 V250 S257 | W249-T259 WeakPolarHBondContact O-CA 3.31Å; V250-T259 HydrophobicContact CG2-CG2 4.36Å; S257-T259 PolarHBondContact O-N 3.4Å |
| 260 | W | 83.5 | Confident | 78.3 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.1 | -179.6 | -54.8 | -81 | 0 | 0 | 0 | 109.8 | Q248 W249 E251 H258 V262 R285 | Q248-W260 CarbonylContact C-O 3.5Å; Q248-W260 VanDerWaalsContact CA-O 3.24Å; Q248-W260 WeakPolarHBondContact CA-O 3.33Å; W249-W260 HydrophobicContact CB-CE3 4.19Å; W249-W260 AromaticContact CD2-CE3 3.48Å; W249-W260 HydrophobicContact CD2-CE3 3.48Å; W249-W260 VanDerWaalsContact CD2-CE3 3.48Å; W249-W260 AromaticContact CD2-CZ3 3.52Å; W249-W260 HydrophobicContact CD2-CZ3 3.52Å; W249-W260 AromaticContact CE2-CZ3 3.89Å; W249-W260 AromaticContact CE3-CD2 3.71Å; W249-W260 HydrophobicContact CE3-CD2 3.71Å; W249-W260 AromaticContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CE3 2.89Å; W249-W260 HydrophobicContact CE3-CG 4.47Å; W249-W260 AromaticContact CE3-CH2 3.94Å; W249-W260 HydrophobicContact CE3-CH2 3.94Å; W249-W260 AromaticContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CE3-CZ3 3.04Å; W249-W260 HydrophobicContact CG-CE3 4.1Å; W249-W260 HydrophobicContact CG-CZ3 4.41Å; W249-W260 HydrophobicContact CH2-CE3 4.07Å; W249-W260 AromaticContact CH2-CH2 3.55Å; W249-W260 HydrophobicContact CH2-CH2 3.55Å; W249-W260 AromaticContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CH2-CZ3 3.27Å; W249-W260 HydrophobicContact CZ2-CH2 4.38Å; W249-W260 AromaticContact CZ2-CZ3 3.78Å; W249-W260 HydrophobicContact CZ2-CZ3 3.78Å; W249-W260 AromaticContact CZ3-CD2 3.93Å; W249-W260 HydrophobicContact CZ3-CD2 3.93Å; W249-W260 AromaticContact CZ3-CE3 3.25Å; W249-W260 HydrophobicContact CZ3-CE3 3.25Å; W249-W260 AromaticContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CH2 3.33Å; W249-W260 HydrophobicContact CZ3-CZ2 4.07Å; W249-W260 AromaticContact CZ3-CZ3 2.9Å; W249-W260 HydrophobicContact CZ3-CZ3 2.9Å; W249-W260 PolarHBondContact N-O 3.09Å; W249-W260 PolarHBondContact O-N 3.06Å; E251-W260 HydrophobicContact CB-CH2 4.18Å; E251-W260 HydrophobicContact CB-CZ3 3.94Å; E251-W260 WeakPolarHBondContact OE2-CH2 3.47Å; H258-W260 HydrophobicContact CB-CD2 4.36Å; H258-W260 HydrophobicContact CB-CH2 3.69Å; H258-W260 HydrophobicContact CB-CZ2 3.3Å; H258-W260 HydrophobicContact CB-CZ3 4.26Å; W260-V262 PolarHBondContact O-N 3.35Å; W260-R285 VanDerWaalsContact CD1-NH1 3.26Å; W260-R285 VanDerWaalsContact NE1-CZ 3.33Å; W260-R285 VanDerWaalsContact NE1-NH1 3.17Å |
| 261 | P | 89.5 | Confident | 78.8 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 16% | 0.156 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 131.4 | 177.7 | 30.5 | -35.1 | 0 | 0 | 0 | 109.6 | G247 A278 Q280 | G247-P261 WeakPolarHBondContact O-CA 3.25Å; P261-A278 HydrophobicContact CB-CB 4.02Å; P261-A278 HydrophobicContact CG-CB 4.11Å; P261-A278 WeakPolarHBondContact CG-O 3Å; P261-A278 WeakPolarHBondContact O-CB 3.41Å; P261-A278 PolarHBondContact O-N 2.62Å; P261-Q280 HydrophobicContact CG-CG 4.26Å |
| 262 | V | 92.3 | Very high | 79.8 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.8 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 110 | G247 W249 W260 I264 V275 R276 F340 | G247-V262 PolarHBondContact N-O 3.45Å; G247-V262 PolarHBondContact O-N 3.45Å; G247-V262 VanDerWaalsContact O-O 3.09Å; W249-V262 HydrophobicContact CB-CG1 4.04Å; W260-V262 PolarHBondContact O-N 3.35Å; V262-I264 HydrophobicContact CG2-CD1 4.4Å; V262-I264 HydrophobicContact CG2-CG1 4.39Å; V262-V275 HydrophobicContact CB-CG1 4.21Å; V262-V275 HydrophobicContact CG2-CG1 4.49Å; V262-R276 CarbonylContact C-O 3.54Å; V262-R276 VanDerWaalsContact CA-O 3.28Å; V262-R276 WeakPolarHBondContact CA-O 3.3Å; V262-R276 WeakPolarHBondContact CB-O 3.39Å; V262-F340 HydrophobicContact CG1-CE1 4.32Å; V262-F340 HydrophobicContact CG2-CD1 3.65Å; V262-F340 HydrophobicContact CG2-CE1 4.11Å |
| 263 | I | 94.9 | Very high | 81.6 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 18% | 0.179 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124 | 172.8 | -53 | 174.9 | 0 | 0 | 0 | 107.3 | R244 F245 Y246 Y265 R276 A278 | R244-I263 HydrophobicContact CG-CG2 3.71Å; F245-I263 WeakPolarHBondContact O-CA 3.34Å; Y246-I263 HydrophobicContact CD1-CG1 4.08Å; Y246-I263 HydrophobicContact CE1-CD1 4.23Å; Y246-I263 HydrophobicContact CE1-CG1 4.24Å; I263-Y265 HydrophobicContact CB-CE2 4.11Å; I263-Y265 HydrophobicContact CG2-CD2 4.3Å; I263-Y265 HydrophobicContact CG2-CE1 4.18Å; I263-Y265 HydrophobicContact CG2-CE2 3.6Å; I263-R276 PolarHBondContact N-O 2.86Å; I263-R276 PolarHBondContact O-N 2.66Å; I263-A278 HydrophobicContact CD1-CB 4.44Å; I263-A278 HydrophobicContact CG1-CB 4.29Å |
| 264 | I | 95.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.8 | -179.5 | -61.7 | 160.8 | 0 | 0 | 0 | 108.4 | R244 F245 V262 V273 V275 F327 L335 F340 L342 | R244-I264 WeakPolarHBondContact CA-O 3.44Å; F245-I264 HydrophobicContact CB-CB 4.4Å; F245-I264 PolarHBondContact N-O 3.19Å; F245-I264 PolarHBondContact O-N 2.95Å; V262-I264 HydrophobicContact CG2-CD1 4.4Å; V262-I264 HydrophobicContact CG2-CG1 4.39Å; I264-V273 HydrophobicContact CG2-CG1 3.86Å; I264-V275 HydrophobicContact CG1-CB 4.45Å; I264-V275 HydrophobicContact CG1-CG1 3.87Å; I264-V275 HydrophobicContact CG1-CG2 4.03Å; I264-V275 HydrophobicContact CG2-CG2 4.3Å; I264-F327 HydrophobicContact CG2-CE1 3.84Å; I264-L335 HydrophobicContact CD1-CD1 4.27Å; I264-L335 HydrophobicContact CG2-CD1 4.4Å; I264-F340 HydrophobicContact CD1-CB 3.94Å; I264-F340 HydrophobicContact CD1-CD1 4.48Å; I264-F340 HydrophobicContact CD1-CG 4.14Å; I264-L342 HydrophobicContact CD1-CD2 3.52Å |
| 265 | Y | 95.8 | Very high | 85.5 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.2 | 176.3 | -60.3 | -87.2 | 0 | 0 | 0 | 109.6 | V242 L243 R244 I263 V273 D274 R276 | V242-Y265 HydrophobicContact CG1-CD1 4Å; V242-Y265 HydrophobicContact CG1-CG 4.46Å; L243-Y265 CarbonylContact O-C 3.44Å; L243-Y265 WeakPolarHBondContact O-CA 3.48Å; R244-Y265 HydrophobicContact CB-CD1 4.25Å; R244-Y265 HydrophobicContact CB-CE1 4.33Å; R244-Y265 HydrophobicContact CG-CD1 4.16Å; R244-Y265 HydrophobicContact CG-CE1 3.86Å; I263-Y265 HydrophobicContact CB-CE2 4.11Å; I263-Y265 HydrophobicContact CG2-CD2 4.3Å; I263-Y265 HydrophobicContact CG2-CE1 4.18Å; I263-Y265 HydrophobicContact CG2-CE2 3.6Å; Y265-V273 CarbonylContact O-C 3.6Å; Y265-V273 VanDerWaalsContact O-CA 3.29Å; Y265-V273 WeakPolarHBondContact O-CA 3.37Å; Y265-D274 PolarHBondContact N-O 3.45Å; Y265-D274 PolarHBondContact O-N 3.49Å; Y265-R276 HydrophobicContact CD2-CG 4.3Å; Y265-R276 HydrophobicContact CE2-CB 4.34Å; Y265-R276 HydrophobicContact CE2-CG 3.99Å |
| 266 | Y | 95.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.8 | 170.8 | -170.9 | -80.6 | 0 | 0 | 0 | 109.2 | V242 L243 L268 D271 T272 V273 I322 P324 F327 | V242-Y266 WeakPolarHBondContact CA-O 2.93Å; V242-Y266 WeakPolarHBondContact CG1-O 3.18Å; L243-Y266 HydrophobicContact CD1-CD1 4.14Å; L243-Y266 PolarHBondContact N-O 3.41Å; L243-Y266 PolarHBondContact O-N 3.41Å; Y266-L268 HydrophobicContact CD1-CD2 4Å; Y266-L268 HydrophobicContact CE1-CD2 4.02Å; Y266-D271 WeakPolarHBondContact OH-CB 3.44Å; Y266-D271 PolarHBondContact OH-OD1 3.33Å; Y266-T272 WeakPolarHBondContact CA-O 3.35Å; Y266-V273 HydrophobicContact CD2-CG2 3.66Å; Y266-V273 HydrophobicContact CE2-CG2 4.02Å; Y266-I322 HydrophobicContact CE2-CG2 4.45Å; Y266-I322 PolarHBondContact OH-O 3.22Å; Y266-P324 HydrophobicContact CD1-CG 4.22Å; Y266-P324 HydrophobicContact CE1-CG 3.63Å; Y266-P324 WeakPolarHBondContact OH-CD 3.48Å; Y266-F327 HydrophobicContact CD2-CD2 4.22Å; Y266-F327 AromaticContact CD2-CE2 3.35Å; Y266-F327 HydrophobicContact CD2-CE2 3.35Å; Y266-F327 AromaticContact CD2-CZ 3.83Å; Y266-F327 HydrophobicContact CD2-CZ 3.83Å; Y266-F327 AromaticContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CG-CE2 4.28Å |
| 267 | Y | 95 | Very high | 89.1 | Confident | 38 Ų | 38 | 33.5 Ų | 33.5 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.1 | -179.3 | -61.5 | -94.9 | 0 | 0 | 0 | 109.6 | V242 V269 D270 D271 T272 D274 R294 | V242-Y267 HydrophobicContact CB-CD1 4.43Å; V242-Y267 HydrophobicContact CG1-CD1 4.04Å; V242-Y267 HydrophobicContact CG1-CE1 4.09Å; V242-Y267 HydrophobicContact CG1-CG 4.34Å; V242-Y267 HydrophobicContact CG2-CD1 3.5Å; V242-Y267 HydrophobicContact CG2-CE1 3.76Å; V242-Y267 HydrophobicContact CG2-CG 4.39Å; Y267-V269 PolarHBondContact O-N 3.46Å; Y267-D270 VanDerWaalsContact CB-OD1 3.31Å; Y267-D270 WeakPolarHBondContact CB-OD1 3.5Å; Y267-D271 WeakPolarHBondContact O-CA 3.45Å; Y267-D271 PolarHBondContact O-N 3.04Å; Y267-T272 WeakPolarHBondContact CD2-OG1 3.38Å; Y267-T272 PolarHBondContact N-O 3.12Å; Y267-T272 PolarHBondContact O-N 3.43Å; Y267-D274 HydrophobicContact CE2-CB 3.65Å; Y267-D274 PolarHBondContact OH-OD2 3.03Å; Y267-R294 HydrophobicContact CD2-CG 4.06Å; Y267-R294 HydrophobicContact CE2-CG 3.91Å |
| 268 | L | 92.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.7 | -178.3 | -66.2 | 171.3 | 0 | 0 | 0 | 113.5 | I238 Q241 L243 Y266 P324 Y352 | I238-L268 HydrophobicContact CG2-CB 3.32Å; I238-L268 HydrophobicContact CG2-CD1 4.46Å; Q241-L268 HydrophobicContact CB-CD1 3.96Å; Q241-L268 PolarHBondContact O-N 3.26Å; L243-L268 HydrophobicContact CD1-CD2 3.86Å; L243-L268 HydrophobicContact CD1-CG 4.41Å; L243-L268 HydrophobicContact CD2-CD1 4.1Å; L243-L268 HydrophobicContact CG-CD1 4.23Å; L243-L268 HydrophobicContact CG-CD2 4.14Å; L243-L268 HydrophobicContact CG-CG 4.14Å; Y266-L268 HydrophobicContact CD1-CD2 4Å; Y266-L268 HydrophobicContact CE1-CD2 4.02Å; L268-P324 HydrophobicContact CD2-CG 4.1Å; L268-Y352 HydrophobicContact CD1-CD2 3.79Å; L268-Y352 HydrophobicContact CD1-CE2 3.37Å; L268-Y352 HydrophobicContact CD2-CE1 4.24Å; L268-Y352 HydrophobicContact CD2-CE2 4.06Å; L268-Y352 WeakPolarHBondContact CD2-OH 3.38Å; L268-Y352 HydrophobicContact CG-CE2 4.37Å |
| 269 | V | 91 | Very high | 91.5 | Very high | 25 Ų | 25 | 31 Ų | 31 | 15% | 0.152 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -42 | -179 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | F235 I238 Y267 | F235-V269 HydrophobicContact CB-CG1 4.37Å; F235-V269 HydrophobicContact CD2-CG1 4.16Å; I238-V269 HydrophobicContact CB-CG2 4.3Å; I238-V269 HydrophobicContact CG2-CG2 4.18Å; I238-V269 WeakPolarHBondContact O-CG2 3.49Å; Y267-V269 PolarHBondContact O-N 3.46Å |
| 270 | D | 89.3 | Confident | 91.7 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 31% | 0.305 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133 | 9.8 | -170.2 | 56.3 | -0.3 | 0 | 0 | 0 | 113.6 | Y267 T272 R294 | Y267-D270 VanDerWaalsContact CB-OD1 3.31Å; Y267-D270 WeakPolarHBondContact CB-OD1 3.5Å; D270-T272 HydrophobicContact CB-CG2 4.11Å; D270-T272 VanDerWaalsContact CG-CG2 3.43Å; D270-T272 VanDerWaalsContact CG-OG1 3.28Å; D270-T272 PolarHBondContact O-N 2.88Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.43Å; D270-T272 PolarHBondContact OD1-OG1 3.2Å; D270-T272 PolarHBondContact OD2-OG1 2.98Å; D270-R294 IonicContact OD1-CZ 2.82Å; D270-R294 IonicContact OD1-NE 3.34Å; D270-R294 IonicContact OD1-NH2 2.76Å; D270-R294 PolarHBondContact OD1-NH2 2.68Å; D270-R294 IonicContact OD2-CZ 3.59Å; D270-R294 IonicContact OD2-NE 2.65Å; D270-R294 IonicContact OD2-NH2 2.66Å; D270-R294 PolarHBondContact OD2-NH2 2.99Å |
| 271 | D | 91.6 | Very high | 91.7 | Very high | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 37.1 | 179.7 | -56.7 | -43 | 0 | 0 | 0 | 112.2 | R234 Y266 Y267 | R234-D271 IonicContact NH1-OD2 3.03Å; R234-D271 PolarHBondContact NH1-OD2 3Å; Y266-D271 WeakPolarHBondContact OH-CB 3.44Å; Y266-D271 PolarHBondContact OH-OD1 3.33Å; Y267-D271 WeakPolarHBondContact O-CA 3.45Å; Y267-D271 PolarHBondContact O-N 3.04Å |
| 272 | T | 94.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 153.3 | -179.9 | 59.1 | 0 | 0 | 0 | 0 | 112 | Y266 Y267 D270 R294 Q295 R296 | Y266-T272 WeakPolarHBondContact CA-O 3.35Å; Y267-T272 WeakPolarHBondContact CD2-OG1 3.38Å; Y267-T272 PolarHBondContact N-O 3.12Å; Y267-T272 PolarHBondContact O-N 3.43Å; D270-T272 HydrophobicContact CB-CG2 4.11Å; D270-T272 VanDerWaalsContact CG-CG2 3.43Å; D270-T272 VanDerWaalsContact CG-OG1 3.28Å; D270-T272 PolarHBondContact O-N 2.88Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.43Å; D270-T272 PolarHBondContact OD1-OG1 3.2Å; D270-T272 PolarHBondContact OD2-OG1 2.98Å; T272-R294 WeakPolarHBondContact OG1-CG 3.46Å; T272-R294 PolarHBondContact OG1-NE 3.09Å; T272-Q295 WeakPolarHBondContact CA-O 3.44Å; T272-R296 HydrophobicContact CG2-CG 3.63Å |
| 273 | V | 95.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.9 | 179.4 | -176.6 | 0 | 0 | 0 | 0 | 110 | I264 Y265 Y266 V275 R294 Q295 I297 F327 L335 | I264-V273 HydrophobicContact CG2-CG1 3.86Å; Y265-V273 CarbonylContact O-C 3.6Å; Y265-V273 VanDerWaalsContact O-CA 3.29Å; Y265-V273 WeakPolarHBondContact O-CA 3.37Å; Y266-V273 HydrophobicContact CD2-CG2 3.66Å; Y266-V273 HydrophobicContact CE2-CG2 4.02Å; V273-V275 HydrophobicContact CG1-CG2 4.09Å; V273-R294 WeakPolarHBondContact O-CA 3.25Å; V273-Q295 PolarHBondContact N-O 2.84Å; V273-Q295 PolarHBondContact O-N 2.81Å; V273-Q295 VanDerWaalsContact O-N 3.09Å; V273-I297 HydrophobicContact CB-CD1 3.69Å; V273-I297 HydrophobicContact CB-CG1 4.15Å; V273-I297 HydrophobicContact CG1-CD1 3.93Å; V273-I297 HydrophobicContact CG2-CD1 4.28Å; V273-F327 HydrophobicContact CG2-CZ 4.13Å; V273-L335 HydrophobicContact CG1-CD1 4.19Å |
| 274 | D | 95 | Very high | 90.2 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.2 | 173.2 | 176.1 | 17.6 | 0 | 0 | 0 | 108.1 | Y265 Y267 R276 L290 R294 | Y265-D274 PolarHBondContact N-O 3.45Å; Y265-D274 PolarHBondContact O-N 3.49Å; Y267-D274 HydrophobicContact CE2-CB 3.65Å; Y267-D274 PolarHBondContact OH-OD2 3.03Å; D274-R276 IonicContact OD1-NE 3.91Å; D274-R276 IonicContact OD2-CZ 3Å; D274-R276 IonicContact OD2-NE 2.78Å; D274-R276 PolarHBondContact OD2-NE 3.25Å; D274-R276 IonicContact OD2-NH2 3.68Å; D274-R276 PolarHBondContact OD2-NH2 2.95Å; D274-L290 WeakPolarHBondContact OD1-CD2 3.34Å; D274-R294 HydrophobicContact CB-CB 4.04Å; D274-R294 HydrophobicContact CB-CG 4.43Å |
| 275 | V | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.4 | -179.2 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | V262 I264 V273 F291 I292 L335 F340 | V262-V275 HydrophobicContact CB-CG1 4.21Å; V262-V275 HydrophobicContact CG2-CG1 4.49Å; I264-V275 HydrophobicContact CG1-CB 4.45Å; I264-V275 HydrophobicContact CG1-CG1 3.87Å; I264-V275 HydrophobicContact CG1-CG2 4.03Å; I264-V275 HydrophobicContact CG2-CG2 4.3Å; V273-V275 HydrophobicContact CG1-CG2 4.09Å; V275-F291 HydrophobicContact CB-CB 4.34Å; V275-F291 HydrophobicContact CG1-CB 4.09Å; V275-F291 HydrophobicContact CG1-CD1 4.29Å; V275-F291 HydrophobicContact CG1-CG 4.5Å; V275-F291 WeakPolarHBondContact O-CA 3.48Å; V275-F291 WeakPolarHBondContact O-CB 3.46Å; V275-F291 PolarHBondContact O-N 3.41Å; V275-I292 HydrophobicContact CB-CB 3.95Å; V275-I292 HydrophobicContact CB-CD1 4.27Å; V275-I292 HydrophobicContact CB-CG1 4.46Å; V275-I292 HydrophobicContact CG2-CB 4.01Å; V275-I292 HydrophobicContact CG2-CD1 3.9Å; V275-I292 HydrophobicContact CG2-CG1 4.48Å; V275-I292 PolarHBondContact N-O 3.01Å; V275-I292 PolarHBondContact O-N 3.39Å; V275-L335 HydrophobicContact CG2-CD1 3.77Å; V275-F340 HydrophobicContact CG1-CE1 4.04Å; V275-F340 HydrophobicContact CG1-CZ 4.21Å |
| 276 | R | 93.6 | Very high | 88.8 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.5 | -177.6 | -60.7 | -165.3 | -171.2 | -171.5 | 1.1 | 111.5 | V262 I263 Y265 D274 P289 L290 | V262-R276 CarbonylContact C-O 3.54Å; V262-R276 VanDerWaalsContact CA-O 3.28Å; V262-R276 WeakPolarHBondContact CA-O 3.3Å; V262-R276 WeakPolarHBondContact CB-O 3.39Å; I263-R276 PolarHBondContact N-O 2.86Å; I263-R276 PolarHBondContact O-N 2.66Å; Y265-R276 HydrophobicContact CD2-CG 4.3Å; Y265-R276 HydrophobicContact CE2-CB 4.34Å; Y265-R276 HydrophobicContact CE2-CG 3.99Å; D274-R276 IonicContact OD1-NE 3.91Å; D274-R276 IonicContact OD2-CZ 3Å; D274-R276 IonicContact OD2-NE 2.78Å; D274-R276 PolarHBondContact OD2-NE 3.25Å; D274-R276 IonicContact OD2-NH2 3.68Å; D274-R276 PolarHBondContact OD2-NH2 2.95Å; R276-P289 WeakPolarHBondContact CA-O 3.44Å; R276-P289 WeakPolarHBondContact CB-O 3.5Å; R276-L290 HydrophobicContact CG-CD2 4.46Å |
| 277 | E | 90.8 | Very high | 88.2 | Confident | 44 Ų | 44 | 69 Ų | 69 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.5 | 173.6 | -168.2 | 170.6 | -176.7 | 0 | 0 | 109.5 | H279 R285 P289 | E277-H279 PolarHBondContact O-N 3.31Å; E277-R285 IonicContact OE1-NH1 3.01Å; E277-R285 PolarHBondContact OE1-NH1 3.37Å; E277-P289 PolarHBondContact N-O 3.38Å |
| 278 | A | 88.6 | Confident | 87.6 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 26% | 0.256 | 38% | 0.379 | S | S | . | . | trans | -88.3 | 92.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | P261 I263 Q280 | P261-A278 HydrophobicContact CB-CB 4.02Å; P261-A278 HydrophobicContact CG-CB 4.11Å; P261-A278 WeakPolarHBondContact CG-O 3Å; P261-A278 WeakPolarHBondContact O-CB 3.41Å; P261-A278 PolarHBondContact O-N 2.62Å; I263-A278 HydrophobicContact CD1-CB 4.44Å; I263-A278 HydrophobicContact CG1-CB 4.29Å; A278-Q280 PolarHBondContact O-N 2.86Å | ||
| 279 | H | 84 | Confident | 87.1 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 41% | 0.407 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -65 | 127.7 | -175.4 | -163.5 | -71.9 | 0 | 0 | 0 | 112.1 | E277 S283 R285 | E277-H279 PolarHBondContact O-N 3.31Å; H279-S283 PolarHBondContact CE1-OG 2.54Å; H279-S283 PolarHBondContact NE2-OG 2.98Å; H279-S283 VanDerWaalsContact NE2-OG 3.17Å; H279-R285 PolarHBondContact NE2-O 2.82Å |
| 280 | Q | 83.1 | Confident | 87 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 58% | 0.579 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 142.4 | 174.6 | -67.1 | -177.3 | -8.8 | 0 | 0 | 111 | P261 A278 N282 S283 | P261-Q280 HydrophobicContact CG-CG 4.26Å; A278-Q280 PolarHBondContact O-N 2.86Å; Q280-N282 PolarHBondContact O-N 3.17Å; Q280-S283 VanDerWaalsContact O-CB 3.31Å; Q280-S283 WeakPolarHBondContact O-CB 3.47Å; Q280-S283 PolarHBondContact O-N 2.74Å; Q280-S283 PolarHBondContact O-OG 2.88Å |
| 281 | R | 84 | Confident | 87 | Confident | 239 Ų | 239 | 78.4 Ų | 78.4 | 90% | 0.902 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 135.1 | 175.4 | -66.9 | -175.7 | -179.3 | -169.9 | 0.3 | 110.2 | S283 | R281-S283 VanDerWaalsContact C-N 3.28Å; R281-S283 PolarHBondContact O-N 3.36Å |
| 282 | N | 82.6 | Confident | 87.1 | Confident | 168 Ų | 168 | 76.9 Ų | 76.9 | 90% | 0.898 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 29.1 | -179.7 | -52.6 | -31.5 | 0 | 0 | 0 | 114.7 | Q280 G284 | Q280-N282 PolarHBondContact O-N 3.17Å; N282-G284 PolarHBondContact O-N 3.06Å |
| 283 | S | 79.6 | Confident | 87 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 38% | 0.378 | 42% | 0.42 | S | S | . | . | trans | -68.8 | -18.7 | 176.3 | 68.6 | 0 | 0 | 0 | 0 | 114.5 | H279 Q280 R281 R285 | H279-S283 PolarHBondContact CE1-OG 2.54Å; H279-S283 PolarHBondContact NE2-OG 2.98Å; H279-S283 VanDerWaalsContact NE2-OG 3.17Å; Q280-S283 VanDerWaalsContact O-CB 3.31Å; Q280-S283 WeakPolarHBondContact O-CB 3.47Å; Q280-S283 PolarHBondContact O-N 2.74Å; Q280-S283 PolarHBondContact O-OG 2.88Å; R281-S283 VanDerWaalsContact C-N 3.28Å; R281-S283 PolarHBondContact O-N 3.36Å; S283-R285 PolarHBondContact O-N 3.15Å; S283-R285 PolarHBondContact OG-N 2.82Å | ||
| 284 | G | 81.8 | Confident | 86.9 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 88% | 0.876 | 44% | 0.441 | S | S | * | . | trans | 74.2 | 2.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N282 | N282-G284 PolarHBondContact O-N 3.06Š| ||
| 285 | R | 78.4 | Confident | 86.8 | Confident | 100 Ų | 100 | 88.7 Ų | 88.7 | 38% | 0.377 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -94 | 148.2 | 174.2 | -74 | -171.5 | 162.4 | 175.6 | -2.6 | 112.1 | W260 E277 H279 S283 | W260-R285 VanDerWaalsContact CD1-NH1 3.26Å; W260-R285 VanDerWaalsContact NE1-CZ 3.33Å; W260-R285 VanDerWaalsContact NE1-NH1 3.17Å; E277-R285 IonicContact OE1-NH1 3.01Å; E277-R285 PolarHBondContact OE1-NH1 3.37Å; H279-R285 PolarHBondContact NE2-O 2.82Å; S283-R285 PolarHBondContact O-N 3.15Å; S283-R285 PolarHBondContact OG-N 2.82Å |
| 286 | D | 83.8 | Confident | 86.6 | Confident | 135 Ų | 135 | 93.5 Ų | 93.5 | 72% | 0.722 | 48% | 0.475 | S | S | * | . | trans | -58.1 | 129.1 | 170 | -169.6 | 37.6 | 0 | 0 | 0 | 109.6 | F288 | D286-F288 PolarHBondContact O-N 3.11Š| ||
| 287 | P | 82.3 | Confident | 86.5 | Confident | 94 Ų | 94 | 89 Ų | 89 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | trans | -73.6 | 77.3 | -177.8 | 30.3 | -37.6 | 0 | 0 | 0 | 111.8 | ||||
| 288 | F | 82.2 | Confident | 86.5 | Confident | 125 Ų | 125 | 88.3 Ų | 88.3 | 55% | 0.548 | 46% | 0.457 | S | S | . | . | trans | -99.7 | 117.7 | 170.7 | -165.6 | -106 | 0 | 0 | 0 | 110.3 | D286 L290 | D286-F288 PolarHBondContact O-N 3.11Å; F288-L290 HydrophobicContact CD1-CB 4.33Å; F288-L290 WeakPolarHBondContact CD1-O 3.42Å; F288-L290 HydrophobicContact CE1-CB 3.7Å; F288-L290 WeakPolarHBondContact CE1-O 3.47Å; F288-L290 HydrophobicContact CZ-CB 4.21Å | ||
| 289 | P | 81.9 | Confident | 86.5 | Confident | 77 Ų | 77 | 91 Ų | 91 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | trans | -79 | -19.7 | -169.7 | 29.1 | -35 | 0 | 0 | 0 | 114.4 | R276 E277 | R276-P289 WeakPolarHBondContact CA-O 3.44Å; R276-P289 WeakPolarHBondContact CB-O 3.5Å; E277-P289 PolarHBondContact N-O 3.38Å | ||
| 290 | L | 89.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 37% | 0.366 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.2 | -172.9 | -70.2 | 164.8 | 0 | 0 | 0 | 110.5 | D274 R276 F288 | D274-L290 WeakPolarHBondContact OD1-CD2 3.34Å; R276-L290 HydrophobicContact CG-CD2 4.46Å; F288-L290 HydrophobicContact CD1-CB 4.33Å; F288-L290 WeakPolarHBondContact CD1-O 3.42Å; F288-L290 HydrophobicContact CE1-CB 3.7Å; F288-L290 WeakPolarHBondContact CE1-O 3.47Å; F288-L290 HydrophobicContact CZ-CB 4.21Å |
| 291 | F | 90.5 | Very high | 86.6 | Confident | 57 Ų | 57 | 89.1 Ų | 89.1 | 25% | 0.25 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -48.4 | 170 | -170.4 | -86.6 | 0 | 0 | 0 | 110.6 | W249 V275 H338 F340 | W249-F291 AromaticContact CD2-CE2 3.98Å; W249-F291 HydrophobicContact CD2-CE2 3.98Å; W249-F291 AromaticContact CD2-CZ 3.9Å; W249-F291 HydrophobicContact CD2-CZ 3.9Å; W249-F291 AromaticContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CE2 3.67Å; W249-F291 HydrophobicContact CE3-CZ 4.06Å; W249-F291 HydrophobicContact CG-CZ 4.34Å; W249-F291 HydrophobicContact CZ3-CE2 4.06Å; W249-F291 HydrophobicContact CZ3-CZ 4.49Å; V275-F291 HydrophobicContact CB-CB 4.34Å; V275-F291 HydrophobicContact CG1-CB 4.09Å; V275-F291 HydrophobicContact CG1-CD1 4.29Å; V275-F291 HydrophobicContact CG1-CG 4.5Å; V275-F291 WeakPolarHBondContact O-CA 3.48Å; V275-F291 WeakPolarHBondContact O-CB 3.46Å; V275-F291 PolarHBondContact O-N 3.41Å; F291-H338 HydrophobicContact CE1-CB 4.31Å; F291-H338 AromaticContact CE1-CD2 3.91Å; F291-H338 AromaticContact CE1-CG 3.93Å; F291-F340 HydrophobicContact CD1-CE1 4.19Å; F291-F340 AromaticContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CE1-CE1 4.1Å; F291-F340 AromaticContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CZ-CZ 4.39Å |
| 292 | I | 92.5 | Very high | 86.5 | Confident | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.051 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 125 | 171.5 | -69.4 | 156 | 0 | 0 | 0 | 107.6 | V275 I297 L335 L336 F340 | V275-I292 HydrophobicContact CB-CB 3.95Å; V275-I292 HydrophobicContact CB-CD1 4.27Å; V275-I292 HydrophobicContact CB-CG1 4.46Å; V275-I292 HydrophobicContact CG2-CB 4.01Å; V275-I292 HydrophobicContact CG2-CD1 3.9Å; V275-I292 HydrophobicContact CG2-CG1 4.48Å; V275-I292 PolarHBondContact N-O 3.01Å; V275-I292 PolarHBondContact O-N 3.39Å; I292-I297 HydrophobicContact CG2-CD1 4.32Å; I292-L335 HydrophobicContact CD1-CB 4.28Å; I292-L336 HydrophobicContact CD1-CD1 4.28Å; I292-L336 HydrophobicContact CG1-CD1 4.23Å; I292-L336 HydrophobicContact CG2-CD1 4.3Å; I292-F340 HydrophobicContact CD1-CE2 4.21Å; I292-F340 HydrophobicContact CD1-CZ 4.13Å |
| 293 | S | 92.3 | Very high | 86 | Confident | 70 Ų | 70 | 84.3 Ų | 84.3 | 49% | 0.49 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 151.7 | 175.2 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | Q295 | S293-Q295 WeakPolarHBondContact O-CG 3.46Å; S293-Q295 PolarHBondContact O-N 3.47Å |
| 294 | R | 93.9 | Very high | 85.3 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 110.4 | -179.9 | -175 | 179.4 | 177.7 | -166.9 | -2.7 | 111.3 | Y267 D270 T272 V273 D274 | Y267-R294 HydrophobicContact CD2-CG 4.06Å; Y267-R294 HydrophobicContact CE2-CG 3.91Å; D270-R294 IonicContact OD1-CZ 2.82Å; D270-R294 IonicContact OD1-NE 3.34Å; D270-R294 IonicContact OD1-NH2 2.76Å; D270-R294 PolarHBondContact OD1-NH2 2.68Å; D270-R294 IonicContact OD2-CZ 3.59Å; D270-R294 IonicContact OD2-NE 2.65Å; D270-R294 IonicContact OD2-NH2 2.66Å; D270-R294 PolarHBondContact OD2-NH2 2.99Å; T272-R294 WeakPolarHBondContact OG1-CG 3.46Å; T272-R294 PolarHBondContact OG1-NE 3.09Å; V273-R294 WeakPolarHBondContact O-CA 3.25Å; D274-R294 HydrophobicContact CB-CB 4.04Å; D274-R294 HydrophobicContact CB-CG 4.43Å |
| 295 | Q | 92.4 | Very high | 84.1 | Confident | 77 Ų | 77 | 89.6 Ų | 89.6 | 36% | 0.36 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 163.4 | 178.5 | 65.8 | -171.8 | -21.2 | 0 | 0 | 112.1 | T272 V273 S293 I297 | T272-Q295 WeakPolarHBondContact CA-O 3.44Å; V273-Q295 PolarHBondContact N-O 2.84Å; V273-Q295 PolarHBondContact O-N 2.81Å; V273-Q295 VanDerWaalsContact O-N 3.09Å; S293-Q295 WeakPolarHBondContact O-CG 3.46Å; S293-Q295 PolarHBondContact O-N 3.47Å; Q295-I297 HydrophobicContact CG-CG1 4.19Å; Q295-I297 PolarHBondContact O-N 2.95Å |
| 296 | R | 91.4 | Very high | 83.1 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 38% | 0.381 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 117.9 | 171.1 | -65.2 | -177.8 | 69.3 | -148 | 1.6 | 108.1 | T272 Y321 | T272-R296 HydrophobicContact CG2-CG 3.63Å; R296-Y321 HydrophobicContact CB-CD1 3.82Å; R296-Y321 HydrophobicContact CB-CE1 3.81Å |
| 297 | I | 92.1 | Very high | 81.9 | Confident | 2 Ų | 2 | 89.4 Ų | 89.4 | 1% | 0.01 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 123.4 | -175.8 | -60.4 | -177.8 | 0 | 0 | 0 | 109.2 | V273 I292 Q295 I322 L335 L336 | V273-I297 HydrophobicContact CB-CD1 3.69Å; V273-I297 HydrophobicContact CB-CG1 4.15Å; V273-I297 HydrophobicContact CG1-CD1 3.93Å; V273-I297 HydrophobicContact CG2-CD1 4.28Å; I292-I297 HydrophobicContact CG2-CD1 4.32Å; Q295-I297 HydrophobicContact CG-CG1 4.19Å; Q295-I297 PolarHBondContact O-N 2.95Å; I297-I322 HydrophobicContact CB-CD1 3.89Å; I297-I322 HydrophobicContact CB-CG1 4.38Å; I297-I322 HydrophobicContact CG2-CD1 3.54Å; I297-I322 HydrophobicContact CG2-CG1 4.29Å; I297-I322 PolarHBondContact O-N 2.78Å; I297-I322 VanDerWaalsContact O-N 3.14Å; I297-L335 HydrophobicContact CD1-CB 4.08Å; I297-L335 HydrophobicContact CD1-CD2 4.25Å; I297-L336 HydrophobicContact CG2-CD2 4.07Å; I297-L336 HydrophobicContact CG2-CG 4.27Å |
| 298 | P | 90.6 | Very high | 80.8 | Confident | 31 Ų | 31 | 90.4 Ų | 90.4 | 20% | 0.201 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 135.2 | 174.5 | 30 | -33.6 | 0 | 0 | 0 | 110.3 | V301 V318 | P298-V301 HydrophobicContact CB-CG2 3.75Å; P298-V301 HydrophobicContact CG-CG2 4.1Å; P298-V318 HydrophobicContact CB-CB 4.43Å; P298-V318 HydrophobicContact CB-CG1 3.62Å; P298-V318 HydrophobicContact CB-CG2 3.92Å |
| 299 | K | 88.5 | Confident | 79.8 | Confident | 88 Ų | 88 | 91.7 Ų | 91.7 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -42.7 | 174.6 | -176.3 | 178.4 | 169.4 | -171.4 | 0 | 111.1 | E320 I322 D326 | K299-E320 WeakPolarHBondContact CA-O 3.44Å; K299-E320 HydrophobicContact CB-CB 4.46Å; K299-E320 VanDerWaalsContact CB-O 3.3Å; K299-E320 WeakPolarHBondContact CB-O 3.44Å; K299-E320 HydrophobicContact CD-CG 4.26Å; K299-E320 PolarHBondContact N-O 3.02Å; K299-E320 IonicContact NZ-OE1 3.98Å; K299-E320 PolarHBondContact NZ-OE1 3.48Å; K299-I322 HydrophobicContact CB-CG1 3.98Å; K299-D326 WeakPolarHBondContact CE-OD1 3.02Å; K299-D326 IonicContact NZ-OD1 2.71Å; K299-D326 PolarHBondContact NZ-OD1 2.87Å; K299-D326 IonicContact NZ-OD2 2.61Å |
| 300 | K | 85.5 | Confident | 78.6 | Confident | 106 Ų | 106 | 93 Ų | 93 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130.3 | 175 | -68.1 | 176.6 | -173.4 | 153.3 | 0 | 109.8 | E319 E320 | K300-E319 HydrophobicContact CB-CB 4.21Å; K300-E319 PolarHBondContact O-N 2.85Å; K300-E320 HydrophobicContact CB-CB 4.26Å; K300-E320 WeakPolarHBondContact CE-OE2 3.3Å; K300-E320 PolarHBondContact N-O 3.09Å; K300-E320 IonicContact NZ-OE2 2.77Å; K300-E320 PolarHBondContact NZ-OE2 3.36Å; K300-E320 PolarHBondContact O-N 3.45Å |
| 301 | V | 84 | Confident | 77.2 | Confident | 66 Ų | 66 | 97 Ų | 97 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.3 | 178.6 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | P298 I313 L317 | P298-V301 HydrophobicContact CB-CG2 3.75Å; P298-V301 HydrophobicContact CG-CG2 4.1Å; V301-I313 HydrophobicContact CG1-CG2 4.39Å; V301-L317 HydrophobicContact CG1-CB 4.42Å |
| 302 | K | 80.6 | Confident | 76.1 | Confident | 106 Ų | 106 | 103 Ų | 103 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 142 | 175.4 | -64.9 | -178.2 | -174.9 | 164 | 0 | 110 | E304 L317 E319 | K302-E304 PolarHBondContact O-N 3.11Å; K302-L317 PolarHBondContact N-O 2.91Å; K302-E319 HydrophobicContact CD-CG 4.17Å; K302-E319 HydrophobicContact CG-CG 3.39Å; K302-E319 WeakPolarHBondContact CG-OE1 3.44Å |
| 303 | E | 72.3 | Confident | 75 | Confident | 200 Ų | 200 | 107.5 Ų | 107.5 | 94% | 0.935 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 117.5 | 171.8 | -65.8 | -174.4 | 170.6 | 0 | 0 | 109.5 | ||
| 304 | E | 65.1 | Low | 74.1 | Confident | 116 Ų | 116 | 106.5 Ų | 106.5 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 149.5 | 172.3 | -70.9 | -155.7 | 125.4 | 0 | 0 | 112 | K302 F306 L317 | K302-E304 PolarHBondContact O-N 3.11Å; E304-F306 VanDerWaalsContact C-N 3.27Å; E304-F306 PolarHBondContact O-N 3.49Å; E304-L317 HydrophobicContact CG-CD1 4.26Å; E304-L317 HydrophobicContact CG-CD2 3.71Å; E304-L317 WeakPolarHBondContact OE1-CD2 3.35Å |
| 305 | S | 57.1 | Low | 73 | Confident | 133 Ų | 133 | 106.1 Ų | 106.1 | 93% | 0.93 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -76.4 | -12 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 306 | F | 57.2 | Low | 72.1 | Confident | 148 Ų | 148 | 108.8 Ų | 108.8 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -100.6 | 139.7 | -176.4 | -138.5 | -97.2 | 0 | 0 | 0 | 110.3 | E304 S308 | E304-F306 VanDerWaalsContact C-N 3.27Å; E304-F306 PolarHBondContact O-N 3.49Å; F306-S308 PolarHBondContact O-N 2.8Å |
| 307 | P | 58.6 | Low | 71.4 | Confident | 83 Ų | 83 | 105.4 Ų | 105.4 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | trans | -62.6 | 126.4 | -177.5 | 22.6 | -32.5 | 0 | 0 | 0 | 111.4 | I309 | P307-I309 HydrophobicContact CB-CG2 4.29Å; P307-I309 PolarHBondContact O-N 3.19Å | ||
| 308 | S | 59.3 | Low | 71 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 0.5 | 179.6 | 52.6 | 0 | 0 | 0 | 0 | 116 | F306 V310 | F306-S308 PolarHBondContact O-N 2.8Å; S308-V310 VanDerWaalsContact C-N 3.33Å; S308-V310 PolarHBondContact O-N 3.1Å |
| 309 | I | 61.7 | Low | 70.6 | Confident | 153 Ų | 153 | 110.5 Ų | 110.5 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -10.5 | -174.4 | -156.2 | 159.9 | 0 | 0 | 0 | 113.7 | P307 | P307-I309 HydrophobicContact CB-CG2 4.29Å; P307-I309 PolarHBondContact O-N 3.19Å |
| 310 | V | 56.4 | Low | 70.6 | Confident | 103 Ų | 103 | 109.4 Ų | 109.4 | 62% | 0.624 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -108.2 | -21.6 | -168.7 | -173.2 | 0 | 0 | 0 | 0 | 113.8 | S308 | S308-V310 VanDerWaalsContact C-N 3.33Å; S308-V310 PolarHBondContact O-N 3.1Å |
| 311 | M | 58.7 | Low | 70.9 | Confident | 156 Ų | 156 | 106.6 Ų | 106.6 | 77% | 0.768 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -139.3 | 141.6 | -171.2 | -66.8 | -87 | -78.1 | 0 | 0 | 111.5 | ||
| 312 | E | 68.1 | Low | 71.3 | Confident | 182 Ų | 182 | 103.9 Ų | 103.9 | 85% | 0.85 | 54% | 0.544 | S | S | * | . | trans | -62.2 | 149.3 | 165.9 | -66.3 | -179.1 | 170.9 | 0 | 0 | 109.9 | S314 | E312-S314 PolarHBondContact O-N 2.88Š| ||
| 313 | I | 70.4 | Confident | 71.9 | Confident | 105 Ų | 105 | 100.5 Ų | 100.5 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | trans | -62.2 | 109.4 | 178.5 | -58.9 | 170 | 0 | 0 | 0 | 108.1 | V301 L317 V318 | V301-I313 HydrophobicContact CG1-CG2 4.39Å; I313-L317 HydrophobicContact CG2-CB 4.3Å; I313-V318 HydrophobicContact CG2-CG2 3.71Å | ||
| 314 | S | 72.2 | Confident | 72.8 | Confident | 48 Ų | 48 | 91.4 Ų | 91.4 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | trans | -77.1 | 154.9 | 176 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | E312 D316 L317 | E312-S314 PolarHBondContact O-N 2.88Å; S314-D316 PolarHBondContact O-N 2.85Å; S314-D316 VanDerWaalsContact O-N 3.09Å; S314-L317 WeakPolarHBondContact O-CB 3.49Å; S314-L317 PolarHBondContact O-N 2.8Å; S314-L317 WeakPolarHBondContact OG-CG 3.29Å | ||
| 315 | D | 71.1 | Confident | 74 | Confident | 109 Ų | 109 | 91.5 Ų | 91.5 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -56.7 | -26.7 | 179.7 | -76 | -9.3 | 0 | 0 | 0 | 112.5 | L317 V318 Y321 | D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.38Å; D315-V318 PolarHBondContact O-N 2.97Å; D315-Y321 PolarHBondContact OD1-OH 3.14Å |
| 316 | D | 73.7 | Confident | 75.6 | Confident | 134 Ų | 134 | 87.1 Ų | 87.1 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -70.7 | -21.5 | 179.4 | -61.4 | -37.5 | 0 | 0 | 0 | 113.6 | S314 | S314-D316 PolarHBondContact O-N 2.85Å; S314-D316 VanDerWaalsContact O-N 3.09Å |
| 317 | L | 76.9 | Confident | 77.2 | Confident | 30 Ų | 30 | 80 Ų | 80 | 16% | 0.157 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -89.2 | -16.4 | -179.4 | -57.6 | -180 | 0 | 0 | 0 | 112.9 | V301 K302 E304 I313 S314 D315 | V301-L317 HydrophobicContact CG1-CB 4.42Å; K302-L317 PolarHBondContact N-O 2.91Å; E304-L317 HydrophobicContact CG-CD1 4.26Å; E304-L317 HydrophobicContact CG-CD2 3.71Å; E304-L317 WeakPolarHBondContact OE1-CD2 3.35Å; I313-L317 HydrophobicContact CG2-CB 4.3Å; S314-L317 WeakPolarHBondContact O-CB 3.49Å; S314-L317 PolarHBondContact O-N 2.8Å; S314-L317 WeakPolarHBondContact OG-CG 3.29Å; D315-L317 VanDerWaalsContact C-N 3.27Å; D315-L317 PolarHBondContact O-N 3.38Å |
| 318 | V | 82.3 | Confident | 78.7 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.9 | 179.6 | -174.5 | 0 | 0 | 0 | 0 | 109.2 | P298 I313 D315 Y321 | P298-V318 HydrophobicContact CB-CB 4.43Å; P298-V318 HydrophobicContact CB-CG1 3.62Å; P298-V318 HydrophobicContact CB-CG2 3.92Å; I313-V318 HydrophobicContact CG2-CG2 3.71Å; D315-V318 PolarHBondContact O-N 2.97Å; V318-Y321 HydrophobicContact CB-CD2 4.49Å; V318-Y321 HydrophobicContact CB-CE1 4.26Å; V318-Y321 HydrophobicContact CB-CE2 3.78Å; V318-Y321 HydrophobicContact CG1-CD1 4.02Å; V318-Y321 HydrophobicContact CG1-CD2 3.77Å; V318-Y321 HydrophobicContact CG1-CE1 3.82Å; V318-Y321 HydrophobicContact CG1-CE2 3.54Å; V318-Y321 HydrophobicContact CG1-CG 4.01Å; V318-Y321 HydrophobicContact CG2-CE1 4.22Å |
| 319 | E | 82.8 | Confident | 80.2 | Confident | 124 Ų | 124 | 74 Ų | 74 | 58% | 0.579 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -43.8 | 175.5 | -62.2 | -165.4 | 145.8 | 0 | 0 | 111.7 | K300 K302 | K300-E319 HydrophobicContact CB-CB 4.21Å; K300-E319 PolarHBondContact O-N 2.85Å; K302-E319 HydrophobicContact CD-CG 4.17Å; K302-E319 HydrophobicContact CG-CG 3.39Å; K302-E319 WeakPolarHBondContact CG-OE1 3.44Å |
| 320 | E | 89.1 | Confident | 81.3 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 124.6 | -170.5 | -162.6 | -177.1 | 160.9 | 0 | 0 | 108.4 | K299 K300 | K299-E320 WeakPolarHBondContact CA-O 3.44Å; K299-E320 HydrophobicContact CB-CB 4.46Å; K299-E320 VanDerWaalsContact CB-O 3.3Å; K299-E320 WeakPolarHBondContact CB-O 3.44Å; K299-E320 HydrophobicContact CD-CG 4.26Å; K299-E320 PolarHBondContact N-O 3.02Å; K299-E320 IonicContact NZ-OE1 3.98Å; K299-E320 PolarHBondContact NZ-OE1 3.48Å; K300-E320 HydrophobicContact CB-CB 4.26Å; K300-E320 WeakPolarHBondContact CE-OE2 3.3Å; K300-E320 PolarHBondContact N-O 3.09Å; K300-E320 IonicContact NZ-OE2 2.77Å; K300-E320 PolarHBondContact NZ-OE2 3.36Å; K300-E320 PolarHBondContact O-N 3.45Å |
| 321 | Y | 91.4 | Very high | 82.8 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 157.1 | 169.3 | -70.6 | -89.2 | 0 | 0 | 0 | 110.2 | R296 D315 V318 S323 | R296-Y321 HydrophobicContact CB-CD1 3.82Å; R296-Y321 HydrophobicContact CB-CE1 3.81Å; D315-Y321 PolarHBondContact OD1-OH 3.14Å; V318-Y321 HydrophobicContact CB-CD2 4.49Å; V318-Y321 HydrophobicContact CB-CE1 4.26Å; V318-Y321 HydrophobicContact CB-CE2 3.78Å; V318-Y321 HydrophobicContact CG1-CD1 4.02Å; V318-Y321 HydrophobicContact CG1-CD2 3.77Å; V318-Y321 HydrophobicContact CG1-CE1 3.82Å; V318-Y321 HydrophobicContact CG1-CE2 3.54Å; V318-Y321 HydrophobicContact CG1-CG 4.01Å; V318-Y321 HydrophobicContact CG2-CE1 4.22Å; Y321-S323 PolarHBondContact O-N 2.98Å |
| 322 | I | 92.4 | Very high | 84.3 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | trans | -64.1 | 129.6 | 175.2 | -63.2 | -175 | 0 | 0 | 0 | 110.4 | Y266 I297 K299 D326 F327 L335 | Y266-I322 HydrophobicContact CE2-CG2 4.45Å; Y266-I322 PolarHBondContact OH-O 3.22Å; I297-I322 HydrophobicContact CB-CD1 3.89Å; I297-I322 HydrophobicContact CB-CG1 4.38Å; I297-I322 HydrophobicContact CG2-CD1 3.54Å; I297-I322 HydrophobicContact CG2-CG1 4.29Å; I297-I322 PolarHBondContact O-N 2.78Å; I297-I322 VanDerWaalsContact O-N 3.14Å; K299-I322 HydrophobicContact CB-CG1 3.98Å; I322-D326 HydrophobicContact CG2-CB 4.13Å; I322-F327 HydrophobicContact CG2-CD2 4.35Å; I322-F327 HydrophobicContact CG2-CE2 3.42Å; I322-F327 VanDerWaalsContact CG2-CE2 3.42Å; I322-F327 HydrophobicContact CG2-CZ 3.81Å; I322-L335 HydrophobicContact CD1-CD2 3.31Å | ||
| 323 | S | 92.2 | Very high | 85.4 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | trans | -110.1 | 165.6 | 178.8 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | Y321 K325 D326 F327 | Y321-S323 PolarHBondContact O-N 2.98Å; S323-K325 PolarHBondContact O-N 2.89Å; S323-K325 VanDerWaalsContact O-N 3.11Å; S323-K325 PolarHBondContact OG-N 2.99Å; S323-D326 PolarHBondContact N-OD2 2.8Å; S323-D326 WeakPolarHBondContact O-CB 3.4Å; S323-D326 PolarHBondContact O-N 2.79Å; S323-D326 PolarHBondContact OG-OD2 2.85Å; S323-F327 WeakPolarHBondContact O-CD2 3.48Å | ||
| 324 | P | 91.8 | Very high | 86.4 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -56.7 | -28.2 | 172.9 | -25.2 | 35.9 | 0 | 0 | 0 | 112.9 | L243 Y266 L268 D326 F327 Y352 Y353 Y357 | L243-P324 HydrophobicContact CD1-CB 4.05Å; L243-P324 HydrophobicContact CD1-CG 4.36Å; Y266-P324 HydrophobicContact CD1-CG 4.22Å; Y266-P324 HydrophobicContact CE1-CG 3.63Å; Y266-P324 WeakPolarHBondContact OH-CD 3.48Å; L268-P324 HydrophobicContact CD2-CG 4.1Å; P324-D326 PolarHBondContact O-N 2.88Å; P324-D326 VanDerWaalsContact O-N 3.15Å; P324-F327 PolarHBondContact O-N 3.36Å; P324-F327 VanDerWaalsContact O-N 3.17Å; P324-Y352 HydrophobicContact CB-CE1 4.44Å; P324-Y353 VanDerWaalsContact C-OH 3.31Å; P324-Y353 WeakPolarHBondContact O-CE1 3.45Å; P324-Y353 PolarHBondContact O-OH 3.01Å; P324-Y357 HydrophobicContact CB-CE2 4.04Å |
| 325 | K | 90.6 | Very high | 87.3 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -64.8 | -19.5 | 179.6 | -61.2 | 177.5 | 177.5 | 178.7 | 0 | 113.1 | S323 F327 Y357 M360 | S323-K325 PolarHBondContact O-N 2.89Å; S323-K325 VanDerWaalsContact O-N 3.11Å; S323-K325 PolarHBondContact OG-N 2.99Å; K325-F327 VanDerWaalsContact C-N 3.31Å; K325-Y357 HydrophobicContact CD-CE1 4.07Å; K325-Y357 HydrophobicContact CG-CD1 4.18Å; K325-Y357 HydrophobicContact CG-CE1 3.72Å; K325-Y357 HydrophobicContact CG-CE2 4.44Å; K325-M360 HydrophobicContact CB-CE 4.39Å; K325-M360 WeakPolarHBondContact O-CE 3.44Å |
| 326 | D | 90.6 | Very high | 88.1 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -82.1 | -12.2 | -179.3 | -58.2 | -61.6 | 0 | 0 | 0 | 112.7 | K299 I322 S323 P324 I333 | K299-D326 WeakPolarHBondContact CE-OD1 3.02Å; K299-D326 IonicContact NZ-OD1 2.71Å; K299-D326 PolarHBondContact NZ-OD1 2.87Å; K299-D326 IonicContact NZ-OD2 2.61Å; I322-D326 HydrophobicContact CG2-CB 4.13Å; S323-D326 PolarHBondContact N-OD2 2.8Å; S323-D326 WeakPolarHBondContact O-CB 3.4Å; S323-D326 PolarHBondContact O-N 2.79Å; S323-D326 PolarHBondContact OG-OD2 2.85Å; P324-D326 PolarHBondContact O-N 2.88Å; P324-D326 VanDerWaalsContact O-N 3.15Å; D326-I333 HydrophobicContact CB-CD1 4.42Å |
| 327 | F | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -96.8 | 97.1 | 178.4 | -63.5 | -93.4 | 0 | 0 | 0 | 110.3 | F245 I264 Y266 V273 I322 S323 P324 K325 I333 L335 L342 M362 | F245-F327 HydrophobicContact CD1-CB 4.49Å; F245-F327 AromaticContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CD1 3.99Å; F245-F327 HydrophobicContact CD2-CG 4.38Å; F245-F327 HydrophobicContact CE1-CB 3.88Å; F245-F327 HydrophobicContact CE2-CB 3.93Å; F245-F327 AromaticContact CE2-CD1 3.96Å; F245-F327 HydrophobicContact CE2-CD1 3.96Å; F245-F327 AromaticContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CE2-CG 3.89Å; F245-F327 HydrophobicContact CZ-CB 3.56Å; F245-F327 HydrophobicContact CZ-CD1 4.44Å; F245-F327 HydrophobicContact CZ-CG 4.04Å; I264-F327 HydrophobicContact CG2-CE1 3.84Å; Y266-F327 HydrophobicContact CD2-CD2 4.22Å; Y266-F327 AromaticContact CD2-CE2 3.35Å; Y266-F327 HydrophobicContact CD2-CE2 3.35Å; Y266-F327 AromaticContact CD2-CZ 3.83Å; Y266-F327 HydrophobicContact CD2-CZ 3.83Å; Y266-F327 AromaticContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CE2-CE2 3.8Å; Y266-F327 HydrophobicContact CG-CE2 4.28Å; V273-F327 HydrophobicContact CG2-CZ 4.13Å; I322-F327 HydrophobicContact CG2-CD2 4.35Å; I322-F327 HydrophobicContact CG2-CE2 3.42Å; I322-F327 VanDerWaalsContact CG2-CE2 3.42Å; I322-F327 HydrophobicContact CG2-CZ 3.81Å; S323-F327 WeakPolarHBondContact O-CD2 3.48Å; P324-F327 PolarHBondContact O-N 3.36Å; P324-F327 VanDerWaalsContact O-N 3.17Å; K325-F327 VanDerWaalsContact C-N 3.31Å; F327-I333 HydrophobicContact CD1-CD1 3.61Å; F327-I333 HydrophobicContact CD2-CD1 4.27Å; F327-I333 HydrophobicContact CE1-CD1 3.46Å; F327-I333 VanDerWaalsContact CE1-CD1 3.46Å; F327-I333 HydrophobicContact CE2-CD1 4.18Å; F327-I333 HydrophobicContact CG-CD1 4Å; F327-I333 HydrophobicContact CZ-CD1 3.77Å; F327-L335 HydrophobicContact CZ-CD2 4.42Å; F327-L342 HydrophobicContact CB-CD1 4.1Å; F327-L342 HydrophobicContact CD1-CD1 3.86Å; F327-L342 HydrophobicContact CG-CD1 4.46Å; F327-M362 WeakPolarHBondContact O-CE 3.44Å | ||
| 328 | Q | 89.6 | Confident | 89.2 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | trans | -117.1 | 134.1 | 174.3 | -171.2 | 170.1 | 1.2 | 0 | 0 | 110.9 | Q331 | Q328-Q331 HydrophobicContact CB-CG 4.43Å; Q328-Q331 VanDerWaalsContact CD-NE2 3.3Å; Q328-Q331 PolarHBondContact O-N 3.03Å | ||
| 329 | L | 90.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 140.8 | 176.7 | -63.8 | -175.8 | 0 | 0 | 0 | 111.1 | F245 Q331 L342 C345 M362 | F245-L329 HydrophobicContact CD1-CD2 4.35Å; L329-Q331 VanDerWaalsContact C-N 3.29Å; L329-L342 HydrophobicContact CD2-CB 4.12Å; L329-C345 HydrophobicContact CD1-CB 4.32Å; L329-C345 HydrophobicContact CD2-CB 4.27Å; L329-M362 HydrophobicContact CB-SD 4.48Å; L329-M362 HydrophobicContact CD1-CB 4.32Å; L329-M362 HydrophobicContact CD1-SD 3.99Å; L329-M362 HydrophobicContact CG-SD 3.69Å |
| 330 | G | 85.5 | Confident | 90 | Very high | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -0.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F341 L342 | G330-F341 WeakPolarHBondContact O-CE2 3.28Å; G330-L342 PolarHBondContact N-O 3.26Å |
| 331 | Q | 88.1 | Confident | 90.1 | Very high | 100 Ų | 100 | 51 Ų | 51 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -108.6 | 160.5 | 176 | -65.6 | -174.6 | 11.1 | 0 | 0 | 112.2 | Q328 L329 L342 | Q328-Q331 HydrophobicContact CB-CG 4.43Å; Q328-Q331 VanDerWaalsContact CD-NE2 3.3Å; Q328-Q331 PolarHBondContact O-N 3.03Å; L329-Q331 VanDerWaalsContact C-N 3.29Å; Q331-L342 PolarHBondContact O-N 2.99Å; Q331-L342 VanDerWaalsContact O-N 3.15Å |
| 332 | K | 89.8 | Confident | 90.1 | Very high | 134 Ų | 134 | 48.7 Ų | 48.7 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.6 | 172.1 | -65.8 | -178.2 | -177.8 | 179.9 | 0 | 109.2 | F340 F341 | K332-F340 CarbonylContact C-O 3.5Å; K332-F340 VanDerWaalsContact CA-O 3.28Å; K332-F340 WeakPolarHBondContact CA-O 3.44Å; K332-F341 HydrophobicContact CG-CB 4.33Å; K332-F341 HydrophobicContact CG-CD2 4.03Å |
| 333 | I | 91.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.4 | 173.5 | -170.6 | 170.6 | 0 | 0 | 0 | 110.2 | D326 F327 L335 H339 F340 L342 | D326-I333 HydrophobicContact CB-CD1 4.42Å; F327-I333 HydrophobicContact CD1-CD1 3.61Å; F327-I333 HydrophobicContact CD2-CD1 4.27Å; F327-I333 HydrophobicContact CE1-CD1 3.46Å; F327-I333 VanDerWaalsContact CE1-CD1 3.46Å; F327-I333 HydrophobicContact CE2-CD1 4.18Å; F327-I333 HydrophobicContact CG-CD1 4Å; F327-I333 HydrophobicContact CZ-CD1 3.77Å; I333-L335 HydrophobicContact CD1-CD2 3.8Å; I333-L335 HydrophobicContact CG1-CD2 3.97Å; I333-L335 HydrophobicContact CG1-CG 4.41Å; I333-L335 HydrophobicContact CG2-CG 4.41Å; I333-H339 WeakPolarHBondContact O-CA 3.33Å; I333-F340 HydrophobicContact CG2-CB 3.92Å; I333-F340 PolarHBondContact N-O 2.86Å; I333-F340 PolarHBondContact O-N 3.26Å; I333-L342 HydrophobicContact CG2-CD1 4.09Å; I333-L342 HydrophobicContact CG2-CD2 4.24Å; I333-L342 HydrophobicContact CG2-CG 4.08Å |
| 334 | K | 91.3 | Very high | 90.1 | Very high | 132 Ų | 132 | 51.3 Ų | 51.3 | 57% | 0.574 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 116 | 172.1 | -177.9 | 180 | -178.5 | -178.1 | 0 | 109 | L336 H338 | K334-L336 WeakPolarHBondContact CE-O 3.33Å; K334-H338 WeakPolarHBondContact CA-O 3.44Å |
| 335 | L | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118 | 171.2 | -53.5 | 176.3 | 0 | 0 | 0 | 107.6 | I264 V273 V275 I292 I297 I322 F327 I333 S337 H338 F340 | I264-L335 HydrophobicContact CD1-CD1 4.27Å; I264-L335 HydrophobicContact CG2-CD1 4.4Å; V273-L335 HydrophobicContact CG1-CD1 4.19Å; V275-L335 HydrophobicContact CG2-CD1 3.77Å; I292-L335 HydrophobicContact CD1-CB 4.28Å; I297-L335 HydrophobicContact CD1-CB 4.08Å; I297-L335 HydrophobicContact CD1-CD2 4.25Å; I322-L335 HydrophobicContact CD1-CD2 3.31Å; F327-L335 HydrophobicContact CZ-CD2 4.42Å; I333-L335 HydrophobicContact CD1-CD2 3.8Å; I333-L335 HydrophobicContact CG1-CD2 3.97Å; I333-L335 HydrophobicContact CG1-CG 4.41Å; I333-L335 HydrophobicContact CG2-CG 4.41Å; L335-S337 PolarHBondContact O-N 2.81Å; L335-S337 VanDerWaalsContact O-N 3.14Å; L335-H338 PolarHBondContact N-O 2.97Å; L335-H338 PolarHBondContact O-N 3.15Å; L335-F340 HydrophobicContact CB-CD2 4.06Å; L335-F340 HydrophobicContact CB-CE2 3.83Å; L335-F340 HydrophobicContact CD1-CD2 3.8Å; L335-F340 HydrophobicContact CD1-CE2 3.97Å; L335-F340 HydrophobicContact CG-CD2 3.9Å; L335-F340 HydrophobicContact CG-CE2 4.13Å |
| 336 | L | 87 | Confident | 90.4 | Very high | 75 Ų | 75 | 48 Ų | 48 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -112.7 | -170.2 | -55.1 | 170.6 | 0 | 0 | 0 | 111 | I292 I297 K334 | I292-L336 HydrophobicContact CD1-CD1 4.28Å; I292-L336 HydrophobicContact CG1-CD1 4.23Å; I292-L336 HydrophobicContact CG2-CD1 4.3Å; I297-L336 HydrophobicContact CG2-CD2 4.07Å; I297-L336 HydrophobicContact CG2-CG 4.27Å; K334-L336 WeakPolarHBondContact CE-O 3.33Å |
| 337 | S | 86.1 | Confident | 90.4 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -6.3 | 177.1 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | L335 | L335-S337 PolarHBondContact O-N 2.81Å; L335-S337 VanDerWaalsContact O-N 3.14Å |
| 338 | H | 88.2 | Confident | 90.6 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 150 | -172 | -60.9 | -79.5 | 0 | 0 | 0 | 112.3 | W249 F291 K334 L335 F340 | W249-H338 AromaticContact CE2-ND1 3.91Å; W249-H338 AromaticContact CZ2-ND1 3.97Å; W249-H338 AromaticContact NE1-ND1 3.6Å; F291-H338 HydrophobicContact CE1-CB 4.31Å; F291-H338 AromaticContact CE1-CD2 3.91Å; F291-H338 AromaticContact CE1-CG 3.93Å; K334-H338 WeakPolarHBondContact CA-O 3.44Å; L335-H338 PolarHBondContact N-O 2.97Å; L335-H338 PolarHBondContact O-N 3.15Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.77Å |
| 339 | H | 90.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.9 | 179.9 | -67.4 | 5.5 | 0 | 0 | 0 | 110.7 | V250 I333 | V250-H339 PolarHBondContact N-O 2.86Å; I333-H339 WeakPolarHBondContact O-CA 3.33Å |
| 340 | F | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.5 | -178.6 | -58.4 | -84.2 | 0 | 0 | 0 | 109.7 | Q248 W249 V262 I264 V275 F291 I292 K332 I333 L335 H338 | Q248-F340 CarbonylContact O-C 3.6Å; Q248-F340 WeakPolarHBondContact O-CA 3.46Å; W249-F340 HydrophobicContact CB-CD1 3.84Å; W249-F340 HydrophobicContact CB-CE1 3.75Å; W249-F340 AromaticContact CD1-CE1 3.81Å; W249-F340 HydrophobicContact CG-CD1 4.31Å; W249-F340 AromaticContact CG-CE1 3.93Å; W249-F340 HydrophobicContact CG-CE1 3.93Å; V262-F340 HydrophobicContact CG1-CE1 4.32Å; V262-F340 HydrophobicContact CG2-CD1 3.65Å; V262-F340 HydrophobicContact CG2-CE1 4.11Å; I264-F340 HydrophobicContact CD1-CB 3.94Å; I264-F340 HydrophobicContact CD1-CD1 4.48Å; I264-F340 HydrophobicContact CD1-CG 4.14Å; V275-F340 HydrophobicContact CG1-CE1 4.04Å; V275-F340 HydrophobicContact CG1-CZ 4.21Å; F291-F340 HydrophobicContact CD1-CE1 4.19Å; F291-F340 AromaticContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CD1-CZ 3.78Å; F291-F340 HydrophobicContact CE1-CE1 4.1Å; F291-F340 AromaticContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CE1-CZ 3.55Å; F291-F340 HydrophobicContact CZ-CZ 4.39Å; I292-F340 HydrophobicContact CD1-CE2 4.21Å; I292-F340 HydrophobicContact CD1-CZ 4.13Å; K332-F340 CarbonylContact C-O 3.5Å; K332-F340 VanDerWaalsContact CA-O 3.28Å; K332-F340 WeakPolarHBondContact CA-O 3.44Å; I333-F340 HydrophobicContact CG2-CB 3.92Å; I333-F340 PolarHBondContact N-O 2.86Å; I333-F340 PolarHBondContact O-N 3.26Å; L335-F340 HydrophobicContact CB-CD2 4.06Å; L335-F340 HydrophobicContact CB-CE2 3.83Å; L335-F340 HydrophobicContact CD1-CD2 3.8Å; L335-F340 HydrophobicContact CD1-CE2 3.97Å; L335-F340 HydrophobicContact CG-CD2 3.9Å; L335-F340 HydrophobicContact CG-CE2 4.13Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.77Å |
| 341 | F | 91.3 | Very high | 91.1 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118 | 172.7 | 178.2 | -105.1 | 0 | 0 | 0 | 109.6 | G247 Q248 V250 G330 K332 V365 | G247-F341 CarbonylContact C-O 3.45Å; G247-F341 WeakPolarHBondContact CA-O 3.37Å; Q248-F341 PolarHBondContact N-O 2.8Å; Q248-F341 PolarHBondContact O-N 3.38Å; V250-F341 HydrophobicContact CG2-CB 4.03Å; G330-F341 WeakPolarHBondContact O-CE2 3.28Å; K332-F341 HydrophobicContact CG-CB 4.33Å; K332-F341 HydrophobicContact CG-CD2 4.03Å; F341-V365 HydrophobicContact CZ-CG1 4.25Å |
| 342 | L | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126 | 179.9 | -56.1 | 177.8 | 0 | 0 | 0 | 109.7 | F245 I264 F327 L329 G330 Q331 I333 | F245-L342 HydrophobicContact CB-CD2 4.06Å; I264-L342 HydrophobicContact CD1-CD2 3.52Å; F327-L342 HydrophobicContact CB-CD1 4.1Å; F327-L342 HydrophobicContact CD1-CD1 3.86Å; F327-L342 HydrophobicContact CG-CD1 4.46Å; L329-L342 HydrophobicContact CD2-CB 4.12Å; G330-L342 PolarHBondContact N-O 3.26Å; Q331-L342 PolarHBondContact O-N 2.99Å; Q331-L342 VanDerWaalsContact O-N 3.15Å; I333-L342 HydrophobicContact CG2-CD1 4.09Å; I333-L342 HydrophobicContact CG2-CD2 4.24Å; I333-L342 HydrophobicContact CG2-CG 4.08Å |
| 343 | Y | 91.7 | Very high | 91.5 | Very high | 51 Ų | 51 | 49 Ų | 49 | 20% | 0.2 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | -26.1 | -177.4 | 66.2 | -95.8 | 0 | 0 | 0 | 113.9 | Y246 G247 Q248 A364 V365 I367 | Y246-Y343 WeakPolarHBondContact O-CD1 3.38Å; Y246-Y343 PolarHBondContact O-N 3.49Å; G247-Y343 WeakPolarHBondContact O-CE1 3.44Å; Q248-Y343 HydrophobicContact CG-CD1 4.16Å; Q248-Y343 HydrophobicContact CG-CE1 3.99Å; Y343-A364 CarbonylContact O-C 3.6Å; Y343-A364 WeakPolarHBondContact O-CA 3.5Å; Y343-V365 PolarHBondContact O-N 3.36Å; Y343-I367 HydrophobicContact CD1-CD1 3.26Å; Y343-I367 HydrophobicContact CD1-CG1 4.08Å; Y343-I367 HydrophobicContact CD2-CD1 3.6Å; Y343-I367 HydrophobicContact CD2-CG1 4.13Å; Y343-I367 HydrophobicContact CE1-CD1 3.42Å; Y343-I367 VanDerWaalsContact CE1-CD1 3.42Å; Y343-I367 HydrophobicContact CE2-CD1 3.78Å; Y343-I367 HydrophobicContact CG-CD1 3.34Å; Y343-I367 HydrophobicContact CG-CG1 3.78Å |
| 344 | D | 92.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 165.4 | 178.6 | -167.2 | 18.6 | 0 | 0 | 0 | 111.6 | Y246 R350 A364 | Y246-D344 HydrophobicContact CD2-CB 4.11Å; Y246-D344 PolarHBondContact N-O 2.82Å; Y246-D344 PolarHBondContact O-N 3.19Å; D344-R350 IonicContact OD1-NH2 3.77Å; D344-A364 HydrophobicContact CB-CB 4.46Å |
| 345 | C | 93.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.9 | 177.3 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | R244 F245 L329 T349 | R244-C345 WeakPolarHBondContact O-CA 3.39Å; F245-C345 HydrophobicContact CD1-CB 3.89Å; F245-C345 HydrophobicContact CE1-CB 4.3Å; L329-C345 HydrophobicContact CD1-CB 4.32Å; L329-C345 HydrophobicContact CD2-CB 4.27Å; C345-T349 HydrophobicContact CB-CG2 3.97Å |
| 346 | D | 93.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 60.6 Ų | 60.6 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | trans | -71.9 | 158.9 | 178.9 | -164.9 | 25.1 | 0 | 0 | 0 | 113.4 | R244 F348 T349 R350 | R244-D346 HydrophobicContact CB-CB 3.93Å; R244-D346 HydrophobicContact CG-CB 4.48Å; R244-D346 IonicContact CZ-OD1 3.79Å; R244-D346 IonicContact CZ-OD2 3.1Å; R244-D346 IonicContact NE-OD2 3.46Å; R244-D346 PolarHBondContact NE-OD2 3.4Å; R244-D346 IonicContact NH2-OD1 3.91Å; R244-D346 PolarHBondContact NH2-OD1 2.82Å; R244-D346 IonicContact NH2-OD2 2.69Å; R244-D346 PolarHBondContact NH2-OD2 3.03Å; R244-D346 VanDerWaalsContact NH2-OD2 3.11Å; R244-D346 PolarHBondContact O-N 2.92Å; D346-F348 PolarHBondContact O-N 2.8Å; D346-T349 WeakPolarHBondContact O-CA 3.39Å; D346-T349 WeakPolarHBondContact O-CB 3.2Å; D346-T349 PolarHBondContact O-N 3.35Å; D346-R350 PolarHBondContact O-N 3.01Å | ||
| 347 | G | 92.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.7 | -47.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | T349 R350 E351 | G347-T349 VanDerWaalsContact C-N 3.27Å; G347-T349 PolarHBondContact O-N 2.78Å; G347-R350 WeakPolarHBondContact O-CB 3.47Å; G347-R350 PolarHBondContact O-N 3.14Å; G347-E351 PolarHBondContact O-N 2.82Å; G347-E351 VanDerWaalsContact O-N 3.12Å |
| 348 | F | 93.6 | Very high | 91.5 | Very high | 74 Ų | 74 | 60.1 Ų | 60.1 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 175 | 172.9 | -101.3 | 0 | 0 | 0 | 112.5 | Q241 V242 L243 D346 E351 Y352 | Q241-F348 HydrophobicContact CB-CE1 4.18Å; Q241-F348 HydrophobicContact CB-CZ 3.76Å; Q241-F348 HydrophobicContact CG-CZ 3.91Å; V242-F348 WeakPolarHBondContact O-CD1 3.5Å; L243-F348 HydrophobicContact CD2-CD1 4.47Å; L243-F348 HydrophobicContact CD2-CE1 4.08Å; D346-F348 PolarHBondContact O-N 2.8Å; F348-E351 PolarHBondContact O-N 3.31Å; F348-Y352 WeakPolarHBondContact O-CB 3.48Å; F348-Y352 PolarHBondContact O-N 2.82Å |
| 349 | T | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -43.7 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | L243 R244 F245 C345 D346 G347 E351 Y352 Y353 | L243-T349 WeakPolarHBondContact CA-OG1 3.28Å; L243-T349 HydrophobicContact CB-CG2 3.93Å; L243-T349 HydrophobicContact CD2-CG2 4.13Å; R244-T349 PolarHBondContact N-OG1 2.81Å; R244-T349 PolarHBondContact O-OG1 3Å; F245-T349 HydrophobicContact CD1-CG2 4.32Å; F245-T349 HydrophobicContact CE1-CG2 3.65Å; F245-T349 HydrophobicContact CE2-CG2 4.38Å; F245-T349 HydrophobicContact CZ-CG2 3.68Å; C345-T349 HydrophobicContact CB-CG2 3.97Å; D346-T349 WeakPolarHBondContact O-CA 3.39Å; D346-T349 WeakPolarHBondContact O-CB 3.2Å; D346-T349 PolarHBondContact O-N 3.35Å; G347-T349 VanDerWaalsContact C-N 3.27Å; G347-T349 PolarHBondContact O-N 2.78Å; T349-E351 PolarHBondContact O-N 3.36Å; T349-Y352 PolarHBondContact O-N 3.25Å; T349-Y353 HydrophobicContact CG2-CD2 3.91Å; T349-Y353 HydrophobicContact CG2-CE2 3.78Å; T349-Y353 VanDerWaalsContact O-CD2 3.3Å; T349-Y353 WeakPolarHBondContact O-CD2 3.18Å; T349-Y353 PolarHBondContact O-N 3.39Å |
| 350 | R | 91.9 | Very high | 91 | Very high | 115 Ų | 115 | 64.4 Ų | 64.4 | 43% | 0.434 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 176.7 | -165 | 177.7 | -62.2 | 169 | 3 | 112.3 | D344 D346 G347 Y353 Q354 M362 | D344-R350 IonicContact OD1-NH2 3.77Å; D346-R350 PolarHBondContact O-N 3.01Å; G347-R350 WeakPolarHBondContact O-CB 3.47Å; G347-R350 PolarHBondContact O-N 3.14Å; R350-Y353 PolarHBondContact O-N 3.47Å; R350-Q354 WeakPolarHBondContact O-CB 3.5Å; R350-Q354 PolarHBondContact O-N 2.84Å; R350-M362 HydrophobicContact CG-CB 4.46Å |
| 351 | E | 92.4 | Very high | 90.4 | Very high | 131 Ų | 131 | 68.6 Ų | 68.6 | 61% | 0.612 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 176.7 | -69.1 | 175.7 | -170.9 | 0 | 0 | 112.3 | G347 F348 T349 Y353 Q354 K355 | G347-E351 PolarHBondContact O-N 2.82Å; G347-E351 VanDerWaalsContact O-N 3.12Å; F348-E351 PolarHBondContact O-N 3.31Å; T349-E351 PolarHBondContact O-N 3.36Å; E351-Y353 PolarHBondContact O-N 2.91Å; E351-Q354 PolarHBondContact O-N 2.99Å; E351-K355 WeakPolarHBondContact O-CB 3.36Å; E351-K355 PolarHBondContact O-N 3.31Å |
| 352 | Y | 92.4 | Very high | 90 | Very high | 42 Ų | 42 | 67.4 Ų | 67.4 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 177.6 | 176 | -88.2 | 0 | 0 | 0 | 112.2 | L243 L268 P324 F348 T349 K355 N356 Y357 | L243-Y352 HydrophobicContact CD1-CD1 4.03Å; L243-Y352 HydrophobicContact CD1-CE1 3.91Å; L243-Y352 HydrophobicContact CD2-CD1 3.5Å; L243-Y352 HydrophobicContact CD2-CD2 4.19Å; L243-Y352 HydrophobicContact CD2-CE1 4.11Å; L243-Y352 HydrophobicContact CD2-CG 3.56Å; L243-Y352 HydrophobicContact CG-CD1 4.4Å; L268-Y352 HydrophobicContact CD1-CD2 3.79Å; L268-Y352 HydrophobicContact CD1-CE2 3.37Å; L268-Y352 HydrophobicContact CD2-CE1 4.24Å; L268-Y352 HydrophobicContact CD2-CE2 4.06Å; L268-Y352 WeakPolarHBondContact CD2-OH 3.38Å; L268-Y352 HydrophobicContact CG-CE2 4.37Å; P324-Y352 HydrophobicContact CB-CE1 4.44Å; F348-Y352 WeakPolarHBondContact O-CB 3.48Å; F348-Y352 PolarHBondContact O-N 2.82Å; T349-Y352 PolarHBondContact O-N 3.25Å; Y352-K355 PolarHBondContact O-N 3.17Å; Y352-N356 WeakPolarHBondContact CD2-ND2 3.37Å; Y352-N356 HydrophobicContact CE1-CB 4.48Å; Y352-N356 WeakPolarHBondContact CE2-ND2 3.15Å; Y352-N356 WeakPolarHBondContact O-CB 3.24Å; Y352-N356 PolarHBondContact O-N 3.43Å; Y352-N356 PolarHBondContact O-ND2 3.18Å; Y352-Y357 HydrophobicContact CE1-CD2 4.4Å; Y352-Y357 HydrophobicContact CE1-CE2 4.11Å |
| 353 | Y | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.8 | -39 | 177.7 | -83.2 | -95.8 | 0 | 0 | 0 | 111.8 | L243 F245 P324 T349 R350 E351 K355 N356 Y357 M360 M362 | L243-Y353 HydrophobicContact CD1-CE2 3.9Å; F245-Y353 HydrophobicContact CE1-CE2 4.14Å; F245-Y353 AromaticContact CZ-CE2 3.74Å; F245-Y353 HydrophobicContact CZ-CE2 3.74Å; F245-Y353 AromaticContact CZ-CZ 3.97Å; F245-Y353 WeakPolarHBondContact CZ-OH 3Å; P324-Y353 VanDerWaalsContact C-OH 3.31Å; P324-Y353 WeakPolarHBondContact O-CE1 3.45Å; P324-Y353 PolarHBondContact O-OH 3.01Å; T349-Y353 HydrophobicContact CG2-CD2 3.91Å; T349-Y353 HydrophobicContact CG2-CE2 3.78Å; T349-Y353 VanDerWaalsContact O-CD2 3.3Å; T349-Y353 WeakPolarHBondContact O-CD2 3.18Å; T349-Y353 PolarHBondContact O-N 3.39Å; R350-Y353 PolarHBondContact O-N 3.47Å; E351-Y353 PolarHBondContact O-N 2.91Å; Y353-K355 PolarHBondContact O-N 3.38Å; Y353-N356 PolarHBondContact O-N 3.33Å; Y353-Y357 AromaticContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CG 4.36Å; Y353-Y357 HydrophobicContact CE1-CD2 4.04Å; Y353-Y357 CarbonylContact O-C 3.6Å; Y353-Y357 VanDerWaalsContact O-CA 3.25Å; Y353-Y357 WeakPolarHBondContact O-CA 3.44Å; Y353-Y357 PolarHBondContact O-N 3.06Å; Y353-M360 HydrophobicContact CD1-CB 4.45Å; Y353-M360 HydrophobicContact CD1-SD 4.24Å; Y353-M360 HydrophobicContact CE1-SD 4.1Å; Y353-M362 HydrophobicContact CD1-CE 3.15Å; Y353-M362 HydrophobicContact CD2-CE 3.62Å; Y353-M362 HydrophobicContact CE1-CE 3.27Å; Y353-M362 HydrophobicContact CE2-CE 3.74Å; Y353-M362 HydrophobicContact CG-CE 3.33Å; Y353-M362 HydrophobicContact CG-CG 4.17Å; Y353-M362 HydrophobicContact CG-SD 4.5Å |
| 354 | Q | 91.3 | Very high | 89.2 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.4 | -34.7 | 176 | -168.5 | 172.9 | 20.3 | 0 | 0 | 112.5 | R350 E351 | R350-Q354 WeakPolarHBondContact O-CB 3.5Å; R350-Q354 PolarHBondContact O-N 2.84Å; E351-Q354 PolarHBondContact O-N 2.99Å |
| 355 | K | 91.9 | Very high | 88.8 | Confident | 174 Ų | 174 | 74.8 Ų | 74.8 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -79.2 | -44.7 | 178.6 | -176.4 | 176.9 | 177.7 | -179 | 0 | 113.6 | E351 Y352 Y353 | E351-K355 WeakPolarHBondContact O-CB 3.36Å; E351-K355 PolarHBondContact O-N 3.31Å; Y352-K355 PolarHBondContact O-N 3.17Å; Y353-K355 PolarHBondContact O-N 3.38Å |
| 356 | N | 90 | Very high | 88 | Confident | 71 Ų | 71 | 83.5 Ų | 83.5 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -100.2 | -25 | -169.6 | -63.3 | -39.6 | 0 | 0 | 0 | 113.8 | Y352 Y353 | Y352-N356 WeakPolarHBondContact CD2-ND2 3.37Å; Y352-N356 HydrophobicContact CE1-CB 4.48Å; Y352-N356 WeakPolarHBondContact CE2-ND2 3.15Å; Y352-N356 WeakPolarHBondContact O-CB 3.24Å; Y352-N356 PolarHBondContact O-N 3.43Å; Y352-N356 PolarHBondContact O-ND2 3.18Å; Y353-N356 PolarHBondContact O-N 3.33Å |
| 357 | Y | 90.1 | Very high | 87 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 24% | 0.235 | 42% | 0.419 | C | S | . | . | trans | -139.7 | 63.2 | -176.8 | -58.2 | -62 | 0 | 0 | 0 | 111 | P324 K325 Y352 Y353 D359 M360 | P324-Y357 HydrophobicContact CB-CE2 4.04Å; K325-Y357 HydrophobicContact CD-CE1 4.07Å; K325-Y357 HydrophobicContact CG-CD1 4.18Å; K325-Y357 HydrophobicContact CG-CE1 3.72Å; K325-Y357 HydrophobicContact CG-CE2 4.44Å; Y352-Y357 HydrophobicContact CE1-CD2 4.4Å; Y352-Y357 HydrophobicContact CE1-CE2 4.11Å; Y353-Y357 AromaticContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CD2 3.86Å; Y353-Y357 HydrophobicContact CD1-CG 4.36Å; Y353-Y357 HydrophobicContact CE1-CD2 4.04Å; Y353-Y357 CarbonylContact O-C 3.6Å; Y353-Y357 VanDerWaalsContact O-CA 3.25Å; Y353-Y357 WeakPolarHBondContact O-CA 3.44Å; Y353-Y357 PolarHBondContact O-N 3.06Å; Y357-D359 PolarHBondContact O-N 2.94Å; Y357-D359 VanDerWaalsContact O-N 3.09Å; Y357-M360 PolarHBondContact O-N 3.47Å | ||
| 358 | P | 84.2 | Confident | 85.7 | Confident | 92 Ų | 92 | 87 Ų | 87 | 60% | 0.597 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.6 | -174.6 | 25.9 | -35.2 | 0 | 0 | 0 | 113.8 | M360 | P358-M360 PolarHBondContact O-N 3.03Š|
| 359 | D | 85.7 | Confident | 84.1 | Confident | 164 Ų | 164 | 92.6 Ų | 92.6 | 88% | 0.877 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.2 | 178.3 | -54.1 | -38.3 | 0 | 0 | 0 | 113.2 | Y357 | Y357-D359 PolarHBondContact O-N 2.94Å; Y357-D359 VanDerWaalsContact O-N 3.09Å |
| 360 | M | 83.3 | Confident | 82.5 | Confident | 48 Ų | 48 | 100.3 Ų | 100.3 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -95.2 | 115.6 | 179.7 | -77 | -172.8 | 149.4 | 0 | 0 | 111.8 | K325 Y353 Y357 P358 M362 | K325-M360 HydrophobicContact CB-CE 4.39Å; K325-M360 WeakPolarHBondContact O-CE 3.44Å; Y353-M360 HydrophobicContact CD1-CB 4.45Å; Y353-M360 HydrophobicContact CD1-SD 4.24Å; Y353-M360 HydrophobicContact CE1-SD 4.1Å; Y357-M360 PolarHBondContact O-N 3.47Å; P358-M360 PolarHBondContact O-N 3.03Å; M360-M362 PolarHBondContact O-N 2.85Å |
| 361 | D | 78.4 | Confident | 80.6 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | trans | -77.7 | 113.9 | 178.1 | -158 | -0.1 | 0 | 0 | 0 | 111 | K363 | D361-K363 PolarHBondContact O-N 3.42Å; D361-K363 WeakPolarHBondContact OD1-CE 3.31Å; D361-K363 WeakPolarHBondContact OD1-CG 3.02Å; D361-K363 IonicContact OD1-NZ 3.32Å; D361-K363 WeakPolarHBondContact OD2-CD 3.05Å; D361-K363 VanDerWaalsContact OD2-CE 3.25Å; D361-K363 WeakPolarHBondContact OD2-CE 3.4Å; D361-K363 IonicContact OD2-NZ 3.28Å; D361-K363 PolarHBondContact OD2-NZ 3.09Å | ||
| 362 | M | 82.8 | Confident | 79 | Confident | 17 Ų | 17 | 104.6 Ų | 104.6 | 8% | 0.084 | 53% | 0.528 | C | S | . | . | trans | -100.1 | 56.1 | -179.3 | -73 | -65.2 | 179 | 0 | 0 | 111.6 | F327 L329 R350 Y353 M360 | F327-M362 WeakPolarHBondContact O-CE 3.44Å; L329-M362 HydrophobicContact CB-SD 4.48Å; L329-M362 HydrophobicContact CD1-CB 4.32Å; L329-M362 HydrophobicContact CD1-SD 3.99Å; L329-M362 HydrophobicContact CG-SD 3.69Å; R350-M362 HydrophobicContact CG-CB 4.46Å; Y353-M362 HydrophobicContact CD1-CE 3.15Å; Y353-M362 HydrophobicContact CD2-CE 3.62Å; Y353-M362 HydrophobicContact CE1-CE 3.27Å; Y353-M362 HydrophobicContact CE2-CE 3.74Å; Y353-M362 HydrophobicContact CG-CE 3.33Å; Y353-M362 HydrophobicContact CG-CG 4.17Å; Y353-M362 HydrophobicContact CG-SD 4.5Å; M360-M362 PolarHBondContact O-N 2.85Å | ||
| 363 | K | 81.9 | Confident | 77.3 | Confident | 138 Ų | 138 | 112.3 Ų | 112.3 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | trans | -87.6 | 132.2 | 174.2 | -76.1 | 169.7 | -171.7 | 151 | 0 | 111 | D361 | D361-K363 PolarHBondContact O-N 3.42Å; D361-K363 WeakPolarHBondContact OD1-CE 3.31Å; D361-K363 WeakPolarHBondContact OD1-CG 3.02Å; D361-K363 IonicContact OD1-NZ 3.32Å; D361-K363 WeakPolarHBondContact OD2-CD 3.05Å; D361-K363 VanDerWaalsContact OD2-CE 3.25Å; D361-K363 WeakPolarHBondContact OD2-CE 3.4Å; D361-K363 IonicContact OD2-NZ 3.28Å; D361-K363 PolarHBondContact OD2-NZ 3.09Å | ||
| 364 | A | 84.8 | Confident | 75.6 | Confident | 58 Ų | 58 | 117.3 Ų | 117.3 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | trans | -64.3 | 139.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y343 D344 | Y343-A364 CarbonylContact O-C 3.6Å; Y343-A364 WeakPolarHBondContact O-CA 3.5Å; D344-A364 HydrophobicContact CB-CB 4.46Å | ||
| 365 | V | 85.5 | Confident | 74.2 | Confident | 58 Ų | 58 | 120 Ų | 120 | 35% | 0.352 | 61% | 0.607 | S | S | . | * | trans | -105.6 | 127.5 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | F341 Y343 I367 | F341-V365 HydrophobicContact CZ-CG1 4.25Å; Y343-V365 PolarHBondContact O-N 3.36Å; V365-I367 PolarHBondContact O-N 3.36Å | ||
| 366 | E | 76.9 | Confident | 72.8 | Confident | 187 Ų | 187 | 121 Ų | 121 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | trans | -71.1 | 121.5 | 174.8 | -65.8 | -171.1 | 173.2 | 0 | 0 | 110.2 | ||||
| 367 | I | 72.6 | Confident | 71.7 | Confident | 48 Ų | 48 | 121.9 Ų | 121.9 | 25% | 0.246 | 63% | 0.629 | C | S | . | * | trans | -81.5 | 131.2 | 172.6 | -54.5 | 165.4 | 0 | 0 | 0 | 107.8 | Q248 Y343 V365 K369 | Q248-I367 HydrophobicContact CG-CD1 4.13Å; Y343-I367 HydrophobicContact CD1-CD1 3.26Å; Y343-I367 HydrophobicContact CD1-CG1 4.08Å; Y343-I367 HydrophobicContact CD2-CD1 3.6Å; Y343-I367 HydrophobicContact CD2-CG1 4.13Å; Y343-I367 HydrophobicContact CE1-CD1 3.42Å; Y343-I367 VanDerWaalsContact CE1-CD1 3.42Å; Y343-I367 HydrophobicContact CE2-CD1 3.78Å; Y343-I367 HydrophobicContact CG-CD1 3.34Å; Y343-I367 HydrophobicContact CG-CG1 3.78Å; V365-I367 PolarHBondContact O-N 3.36Å; I367-K369 PolarHBondContact O-N 3.13Å | ||
| 368 | P | 63.7 | Low | 70.8 | Confident | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | trans | -60 | 112.5 | 170.7 | 16.2 | -19.5 | 0 | 0 | 0 | 109 | M370 | P368-M370 PolarHBondContact O-N 3.31Š| ||
| 369 | K | 60.7 | Low | 70.6 | Confident | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | trans | -60.3 | 128.4 | 171.7 | -67.3 | 179.5 | -178.4 | 174.1 | 0 | 107 | I367 E371 | I367-K369 PolarHBondContact O-N 3.13Å; K369-E371 PolarHBondContact O-N 2.92Å | ||
| 370 | M | 58.7 | Low | 70.5 | Confident | 162 Ų | 162 | 126.3 Ų | 126.3 | 80% | 0.798 | 65% | 0.649 | S | S | * | * | trans | -58.3 | 110.9 | 165.8 | -82.9 | -163.8 | 153.7 | 0 | 0 | 106.7 | P368 D372 | P368-M370 PolarHBondContact O-N 3.31Å; M370-D372 PolarHBondContact O-N 2.65Å; M370-D372 VanDerWaalsContact O-N 3.13Å | ||
| 371 | E | 53.4 | Low | 70.6 | Confident | 179 Ų | 179 | 127.8 Ų | 127.8 | 84% | 0.836 | 66% | 0.662 | S | S | * | * | trans | -56.9 | 121.7 | 177.9 | -66 | -177.1 | 166.9 | 0 | 0 | 107.8 | K369 K373 | K369-E371 PolarHBondContact O-N 2.92Å; E371-K373 PolarHBondContact O-N 3.34Å | ||
| 372 | D | 57.5 | Low | 71 | Confident | 157 Ų | 157 | 128.5 Ų | 128.5 | 84% | 0.84 | 67% | 0.672 | S | S | * | * | trans | -50.1 | 113.3 | 166.3 | -82.1 | -38.1 | 0 | 0 | 0 | 105.9 | M370 S374 | M370-D372 PolarHBondContact O-N 2.65Å; M370-D372 VanDerWaalsContact O-N 3.13Å; D372-S374 VanDerWaalsContact C-N 3.26Å; D372-S374 WeakPolarHBondContact O-CA 3.45Å; D372-S374 PolarHBondContact O-N 3.34Å | ||
| 373 | K | 56.8 | Low | 71.2 | Confident | 205 Ų | 205 | 130.3 Ų | 130.3 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | trans | -49.7 | 99 | 178.6 | -70.5 | 176.9 | -178.7 | 174.1 | 0 | 106.5 | E371 K375 | E371-K373 PolarHBondContact O-N 3.34Å; K373-K375 PolarHBondContact O-N 3.09Å | ||
| 374 | S | 57.2 | Low | 71.4 | Confident | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54 | 119.6 | -171.7 | 60.1 | 0 | 0 | 0 | 0 | 105.6 | D372 K376 | D372-S374 VanDerWaalsContact C-N 3.26Å; D372-S374 WeakPolarHBondContact O-CA 3.45Å; D372-S374 PolarHBondContact O-N 3.34Å; S374-K376 PolarHBondContact O-N 3.24Å |
| 375 | K | 61.6 | Low | 71.4 | Confident | 202 Ų | 202 | 128.6 Ų | 128.6 | 88% | 0.878 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 116.5 | -178.4 | -67 | 177.1 | -178.7 | 177 | 0 | 106.6 | K373 A377 | K373-K375 PolarHBondContact O-N 3.09Å; K375-A377 PolarHBondContact O-N 2.97Å |
| 376 | K | 63.2 | Low | 71.2 | Confident | 194 Ų | 194 | 133.3 Ų | 133.3 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 122.2 | -178.8 | -70.2 | -177.4 | 177.9 | -178 | 0 | 106.9 | S374 Q378 | S374-K376 PolarHBondContact O-N 3.24Å; K376-Q378 PolarHBondContact O-N 3.37Å; K376-Q378 VanDerWaalsContact O-N 3.15Å |
| 377 | A | 67.8 | Low | 71.6 | Confident | 91 Ų | 91 | 127.6 Ų | 127.6 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 124.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | K375 V379 | K375-A377 PolarHBondContact O-N 2.97Å; A377-V379 PolarHBondContact O-N 3.17Å |
| 378 | Q | 69.7 | Low | 72.2 | Confident | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122.5 | 178.1 | -71.6 | 178.2 | -23.4 | 0 | 0 | 108 | K376 | K376-Q378 PolarHBondContact O-N 3.37Å; K376-Q378 VanDerWaalsContact O-N 3.15Å |
| 379 | V | 81.1 | Confident | 73.2 | Confident | 137 Ų | 137 | 124 Ų | 124 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 124.8 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | A377 | A377-V379 PolarHBondContact O-N 3.17Š|
| 380 | I | 83.4 | Confident | 74.4 | Confident | 85 Ų | 85 | 118.6 Ų | 118.6 | 44% | 0.436 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 128.9 | 176.8 | -57.6 | 171.3 | 0 | 0 | 0 | 107.8 | L393 C396 Y397 | I380-L393 HydrophobicContact CD1-CD2 4.29Å; I380-C396 HydrophobicContact CG2-CB 4.38Å; I380-Y397 HydrophobicContact CD1-CE1 4Å |
| 381 | P | 85.1 | Confident | 75.9 | Confident | 79 Ų | 79 | 114 Ų | 114 | 51% | 0.513 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 156.8 | 177.7 | 29 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 382 | P | 86.9 | Confident | 77.5 | Confident | 104 Ų | 104 | 106.1 Ų | 106.1 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 151 | 175.8 | 27.4 | -34.5 | 0 | 0 | 0 | 111.5 | ||
| 383 | Y | 86.9 | Confident | 79 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 22% | 0.216 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -65.8 | 133.9 | -177.2 | 176.4 | -113.7 | 0 | 0 | 0 | 111.7 | G385 F386 G387 V478 D479 | Y383-G385 VanDerWaalsContact C-N 3.32Å; Y383-G385 PolarHBondContact O-N 3.48Å; Y383-F386 WeakPolarHBondContact CE2-O 3.39Å; Y383-F386 PolarHBondContact OH-O 3.42Å; Y383-G387 PolarHBondContact OH-O 3.15Å; Y383-V478 HydrophobicContact CD1-CG1 3.71Å; Y383-V478 HydrophobicContact CE1-CG1 4.24Å; Y383-D479 VanDerWaalsContact CB-OD1 3.24Å; Y383-D479 WeakPolarHBondContact CB-OD1 3.46Å; Y383-D479 PolarHBondContact N-OD1 2.77Å |
| 384 | N | 85.8 | Confident | 80.5 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | trans | -83.2 | -1 | -172.4 | 66.7 | -1.7 | 0 | 0 | 0 | 114.6 | F386 | N384-F386 WeakPolarHBondContact O-CD2 2.97Å; N384-F386 PolarHBondContact OD1-N 3.09Å; N384-F386 VanDerWaalsContact OD1-N 3.11Å; N384-F386 PolarHBondContact OD1-O 2.91Å | ||
| 385 | G | 84.1 | Confident | 82 | Confident | 55 Ų | 55 | 92.7 Ų | 92.7 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 86.3 | -2.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y383 | Y383-G385 VanDerWaalsContact C-N 3.32Å; Y383-G385 PolarHBondContact O-N 3.48Å |
| 386 | F | 82.6 | Confident | 83.1 | Confident | 158 Ų | 158 | 85.9 Ų | 85.9 | 69% | 0.693 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -108.2 | 138.1 | -179.2 | -64.4 | -80 | 0 | 0 | 0 | 111.9 | Y383 N384 S392 | Y383-F386 WeakPolarHBondContact CE2-O 3.39Å; Y383-F386 PolarHBondContact OH-O 3.42Å; N384-F386 WeakPolarHBondContact O-CD2 2.97Å; N384-F386 PolarHBondContact OD1-N 3.09Å; N384-F386 VanDerWaalsContact OD1-N 3.11Å; N384-F386 PolarHBondContact OD1-O 2.91Å; F386-S392 PolarHBondContact O-OG 3.15Å |
| 387 | G | 84.8 | Confident | 84.2 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 68% | 0.68 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 83.1 | -155.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y383 | Y383-G387 PolarHBondContact OH-O 3.15Š|
| 388 | S | 84.6 | Confident | 84.9 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | trans | -97.2 | 150.3 | 163.3 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | E390 D391 S392 | S388-E390 VanDerWaalsContact C-N 3.26Å; S388-E390 PolarHBondContact O-N 3.01Å; S388-D391 WeakPolarHBondContact O-CB 3.34Å; S388-D391 PolarHBondContact O-N 3.19Å; S388-D391 WeakPolarHBondContact OG-CB 3.47Å; S388-S392 PolarHBondContact O-N 2.93Å | ||
| 389 | L | 85.6 | Confident | 85.7 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 17% | 0.168 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -55.7 | -44.6 | 179.7 | -178.1 | 134.3 | 0 | 0 | 0 | 111.4 | D391 S392 L393 V478 P481 | L389-D391 PolarHBondContact O-N 3.48Å; L389-S392 PolarHBondContact O-N 3.21Å; L389-L393 HydrophobicContact CD2-CD1 4.44Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.34Å; L389-L393 PolarHBondContact O-N 3Å; L389-V478 WeakPolarHBondContact CD1-O 3.46Å; L389-P481 HydrophobicContact CD1-CG 4.3Å |
| 390 | E | 86.5 | Confident | 86.1 | Confident | 77 Ų | 77 | 81 Ų | 81 | 36% | 0.36 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.1 | -27.3 | -179.4 | -62.2 | 75.4 | -165.7 | 0 | 0 | 113.2 | S388 P404 | S388-E390 VanDerWaalsContact C-N 3.26Å; S388-E390 PolarHBondContact O-N 3.01Å; E390-P404 HydrophobicContact CB-CB 4.15Å |
| 391 | D | 88.5 | Confident | 86.3 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 35% | 0.348 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -83.9 | -46.9 | -180 | -173.2 | 53 | 0 | 0 | 0 | 110.7 | S388 L389 L393 Q394 P404 | S388-D391 WeakPolarHBondContact O-CB 3.34Å; S388-D391 PolarHBondContact O-N 3.19Å; S388-D391 WeakPolarHBondContact OG-CB 3.47Å; L389-D391 PolarHBondContact O-N 3.48Å; D391-L393 PolarHBondContact O-N 3.34Å; D391-Q394 WeakPolarHBondContact O-CB 3.48Å; D391-Q394 PolarHBondContact O-N 2.87Å; D391-Q394 VanDerWaalsContact O-N 3.08Å; D391-P404 HydrophobicContact CB-CG 4.41Å |
| 392 | S | 88.8 | Confident | 86.5 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 11% | 0.105 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65 | -27.7 | 176.3 | -70.6 | 0 | 0 | 0 | 0 | 113.2 | F386 S388 L389 Q394 N395 | F386-S392 PolarHBondContact O-OG 3.15Å; S388-S392 PolarHBondContact O-N 2.93Å; L389-S392 PolarHBondContact O-N 3.21Å; S392-Q394 VanDerWaalsContact C-N 3.3Å; S392-Q394 PolarHBondContact O-N 2.97Å; S392-N395 WeakPolarHBondContact O-CB 3.38Å; S392-N395 PolarHBondContact O-N 3.25Å |
| 393 | L | 87.5 | Confident | 86.5 | Confident | 45 Ų | 45 | 81.8 Ų | 81.8 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.6 | -32.3 | 174.9 | -150.1 | 176.6 | 0 | 0 | 0 | 111.4 | I380 L389 D391 N395 C396 Y397 | I380-L393 HydrophobicContact CD1-CD2 4.29Å; L389-L393 HydrophobicContact CD2-CD1 4.44Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.34Å; L389-L393 PolarHBondContact O-N 3Å; D391-L393 PolarHBondContact O-N 3.34Å; L393-N395 VanDerWaalsContact C-N 3.28Å; L393-N395 PolarHBondContact O-N 3.46Å; L393-C396 WeakPolarHBondContact O-CB 3.44Å; L393-C396 PolarHBondContact O-N 2.91Å; L393-Y397 HydrophobicContact CD2-CD1 4.19Å; L393-Y397 HydrophobicContact CD2-CD2 3.53Å; L393-Y397 HydrophobicContact CD2-CE1 3.72Å; L393-Y397 HydrophobicContact CD2-CE2 3.03Å; L393-Y397 HydrophobicContact CD2-CG 4.1Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.32Å; L393-Y397 HydrophobicContact CG-CE2 4.36Å; L393-Y397 PolarHBondContact O-N 3.04Å |
| 394 | Q | 88.9 | Confident | 86.6 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 22% | 0.22 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 176.8 | -64.7 | -63.7 | -32 | 0 | 0 | 112.4 | D391 S392 C396 Y397 S398 P401 E402 | D391-Q394 WeakPolarHBondContact O-CB 3.48Å; D391-Q394 PolarHBondContact O-N 2.87Å; D391-Q394 VanDerWaalsContact O-N 3.08Å; S392-Q394 VanDerWaalsContact C-N 3.3Å; S392-Q394 PolarHBondContact O-N 2.97Å; Q394-C396 PolarHBondContact O-N 3.48Å; Q394-Y397 PolarHBondContact O-N 3.19Å; Q394-Y397 VanDerWaalsContact O-N 3.08Å; Q394-S398 PolarHBondContact O-N 3.28Å; Q394-P401 HydrophobicContact CB-CB 4.25Å; Q394-E402 VanDerWaalsContact CG-O 3.28Å; Q394-E402 WeakPolarHBondContact CG-O 3.27Å |
| 395 | N | 88.6 | Confident | 86.6 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -24.3 | 173.3 | -66.1 | -39.7 | 0 | 0 | 0 | 113.1 | S392 L393 P401 | S392-N395 WeakPolarHBondContact O-CB 3.38Å; S392-N395 PolarHBondContact O-N 3.25Å; L393-N395 VanDerWaalsContact C-N 3.28Å; L393-N395 PolarHBondContact O-N 3.46Å; N395-P401 WeakPolarHBondContact OD1-CB 3.38Å; N395-P401 VanDerWaalsContact OD1-CG 3.27Å; N395-P401 WeakPolarHBondContact OD1-CG 3.25Å |
| 396 | C | 85.6 | Confident | 86.5 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -87.3 | -23 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | I380 L393 Q394 | I380-C396 HydrophobicContact CG2-CB 4.38Å; L393-C396 WeakPolarHBondContact O-CB 3.44Å; L393-C396 PolarHBondContact O-N 2.91Å; Q394-C396 PolarHBondContact O-N 3.48Å |
| 397 | Y | 85.4 | Confident | 86.7 | Confident | 149 Ų | 149 | 87.5 Ų | 87.5 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -87.4 | -38.2 | -180 | -71.7 | -35.4 | 0 | 0 | 0 | 113.3 | I380 L393 Q394 | I380-Y397 HydrophobicContact CD1-CE1 4Å; L393-Y397 HydrophobicContact CD2-CD1 4.19Å; L393-Y397 HydrophobicContact CD2-CD2 3.53Å; L393-Y397 HydrophobicContact CD2-CE1 3.72Å; L393-Y397 HydrophobicContact CD2-CE2 3.03Å; L393-Y397 HydrophobicContact CD2-CG 4.1Å; L393-Y397 WeakPolarHBondContact CD2-OH 3.32Å; L393-Y397 HydrophobicContact CG-CE2 4.36Å; L393-Y397 PolarHBondContact O-N 3.04Å; Q394-Y397 PolarHBondContact O-N 3.19Å; Q394-Y397 VanDerWaalsContact O-N 3.08Å |
| 398 | S | 82.6 | Confident | 86.7 | Confident | 41 Ų | 41 | 89.8 Ų | 89.8 | 29% | 0.287 | 47% | 0.47 | S | S | . | . | trans | -136.5 | 149.5 | -177.2 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | Q394 I400 | Q394-S398 PolarHBondContact O-N 3.28Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 WeakPolarHBondContact CB-O 3.5Å; S398-I400 PolarHBondContact O-N 3.45Å; S398-I400 PolarHBondContact OG-O 3.34Å | ||
| 399 | L | 86.1 | Confident | 86.9 | Confident | 176 Ų | 176 | 93.7 Ų | 93.7 | 92% | 0.921 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -64.8 | -35.7 | 175.1 | 179.8 | 65.8 | 0 | 0 | 0 | 112 | ||
| 400 | I | 90.7 | Very high | 87 | Confident | 139 Ų | 139 | 95.6 Ų | 95.6 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -105.6 | 106.3 | 173.1 | -58.7 | 173 | 0 | 0 | 0 | 105.7 | S398 E402 | S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 WeakPolarHBondContact CB-O 3.5Å; S398-I400 PolarHBondContact O-N 3.45Å; S398-I400 PolarHBondContact OG-O 3.34Å; I400-E402 PolarHBondContact O-N 3.29Å |
| 401 | P | 87.4 | Confident | 86.9 | Confident | 62 Ų | 62 | 97 Ų | 97 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 131.2 | -176.8 | 27.2 | -34.6 | 0 | 0 | 0 | 110.3 | Q394 N395 | Q394-P401 HydrophobicContact CB-CB 4.25Å; N395-P401 WeakPolarHBondContact OD1-CB 3.38Å; N395-P401 VanDerWaalsContact OD1-CG 3.27Å; N395-P401 WeakPolarHBondContact OD1-CG 3.25Å |
| 402 | E | 87.9 | Confident | 86.9 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 144.3 | 169.7 | -67.7 | -173.2 | 177.1 | 0 | 0 | 109.6 | Q394 I400 | Q394-E402 VanDerWaalsContact CG-O 3.28Å; Q394-E402 WeakPolarHBondContact CG-O 3.27Å; I400-E402 PolarHBondContact O-N 3.29Å |
| 403 | P | 88.5 | Confident | 86.9 | Confident | 106 Ų | 106 | 104 Ų | 104 | 69% | 0.688 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 140.3 | 176.5 | 25.7 | -33.6 | 0 | 0 | 0 | 110.7 | K405 | P403-K405 PolarHBondContact O-N 2.99Š|
| 404 | P | 88.1 | Confident | 86.8 | Confident | 46 Ų | 46 | 102.9 Ų | 102.9 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -61 | 132.2 | -178.5 | 23.8 | -33.3 | 0 | 0 | 0 | 111 | E390 D391 Q406 | E390-P404 HydrophobicContact CB-CB 4.15Å; D391-P404 HydrophobicContact CB-CG 4.41Å; P404-Q406 PolarHBondContact O-N 3.36Å |
| 405 | K | 85.5 | Confident | 86.7 | Confident | 187 Ų | 187 | 103.7 Ų | 103.7 | 81% | 0.813 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 116.1 | -178.2 | -66.1 | 179.6 | -176.3 | 172.4 | 0 | 110 | P403 | P403-K405 PolarHBondContact O-N 2.99Š|
| 406 | Q | 83.2 | Confident | 86.5 | Confident | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 145.5 | 174.5 | -64.2 | 178 | -3.9 | 0 | 0 | 110.7 | P404 I408 | P404-Q406 PolarHBondContact O-N 3.36Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 WeakPolarHBondContact O-CG1 3.4Å; Q406-I408 PolarHBondContact O-N 3.13Å |
| 407 | N | 85.1 | Confident | 86.6 | Confident | 130 Ų | 130 | 107.5 Ų | 107.5 | 70% | 0.695 | 55% | 0.551 | S | S | * | * | trans | -72.6 | 81.3 | 176.4 | -71.6 | -41.5 | 0 | 0 | 0 | 111.4 | L409 K410 R411 | N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 3.3Å; N407-K410 HydrophobicContact CB-CB 4.07Å; N407-K410 PolarHBondContact O-N 3.31Å; N407-R411 PolarHBondContact O-N 3.1Å | ||
| 408 | I | 86.7 | Confident | 87 | Confident | 114 Ų | 114 | 104 Ų | 104 | 59% | 0.585 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.6 | -40.9 | -174.9 | -52.8 | 178.2 | 0 | 0 | 0 | 111.6 | Q406 K410 R411 L412 | Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 WeakPolarHBondContact O-CG1 3.4Å; Q406-I408 PolarHBondContact O-N 3.13Å; I408-K410 PolarHBondContact O-N 2.97Å; I408-R411 PolarHBondContact O-N 3.05Å; I408-L412 WeakPolarHBondContact O-CB 3.45Å; I408-L412 PolarHBondContact O-N 3.21Å |
| 409 | L | 88 | Confident | 87.4 | Confident | 140 Ų | 140 | 102 Ų | 102 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -46 | 179.3 | -69.6 | 173.3 | 0 | 0 | 0 | 111.9 | N407 R411 L412 V413 | N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 3.3Å; L409-R411 VanDerWaalsContact C-N 3.33Å; L409-R411 PolarHBondContact O-N 3.43Å; L409-L412 PolarHBondContact O-N 3.42Å; L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.35Å; L409-V413 PolarHBondContact O-N 3.12Å |
| 410 | K | 86.7 | Confident | 87.7 | Confident | 72 Ų | 72 | 98.7 Ų | 98.7 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 177.3 | -175 | 172.6 | -179.1 | 172.7 | 0 | 110.9 | N407 I408 L412 N414 L443 D446 | N407-K410 HydrophobicContact CB-CB 4.07Å; N407-K410 PolarHBondContact O-N 3.31Å; I408-K410 PolarHBondContact O-N 2.97Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 2.65Å; K410-N414 WeakPolarHBondContact O-CB 3.4Å; K410-N414 PolarHBondContact O-N 3.22Å; K410-L443 VanDerWaalsContact CE-O 3.25Å; K410-L443 WeakPolarHBondContact CE-O 3.35Å; K410-D446 VanDerWaalsContact CE-OD1 3.27Å; K410-D446 WeakPolarHBondContact CE-OD1 3.32Å; K410-D446 IonicContact NZ-OD1 3.14Å; K410-D446 PolarHBondContact NZ-OD1 2.61Å; K410-D446 IonicContact NZ-OD2 2.65Å; K410-D446 PolarHBondContact NZ-OD2 2.95Å |
| 411 | R | 86 | Confident | 87.8 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 40% | 0.404 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.6 | -174.8 | 169.7 | 63.9 | -163.1 | -3.9 | 112.9 | N407 I408 L409 S415 D444 | N407-R411 PolarHBondContact O-N 3.1Å; I408-R411 PolarHBondContact O-N 3.05Å; L409-R411 VanDerWaalsContact C-N 3.33Å; L409-R411 PolarHBondContact O-N 3.43Å; R411-S415 WeakPolarHBondContact O-CB 3.31Å; R411-S415 PolarHBondContact O-N 3.42Å; R411-D444 HydrophobicContact CG-CB 4.44Å |
| 412 | L | 87.9 | Confident | 88 | Confident | 133 Ų | 133 | 91.8 Ų | 91.8 | 70% | 0.696 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.5 | -48 | -179.9 | -169.3 | 71.4 | 0 | 0 | 0 | 111.7 | I408 L409 K410 N414 | I408-L412 WeakPolarHBondContact O-CB 3.45Å; I408-L412 PolarHBondContact O-N 3.21Å; L409-L412 PolarHBondContact O-N 3.42Å; K410-L412 VanDerWaalsContact C-N 3.33Å; K410-L412 PolarHBondContact O-N 2.65Å; L412-N414 PolarHBondContact O-N 3.02Å |
| 413 | V | 87.8 | Confident | 88.2 | Confident | 94 Ų | 94 | 86.2 Ų | 86.2 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.9 | -34.8 | -176.8 | 174 | 0 | 0 | 0 | 0 | 112.1 | L409 K417 | L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.35Å; L409-V413 PolarHBondContact O-N 3.12Å; V413-K417 WeakPolarHBondContact O-CE 3.49Å; V413-K417 PolarHBondContact O-NZ 3.22Å |
| 414 | N | 86.3 | Confident | 88.4 | Confident | 20 Ų | 20 | 85 Ų | 85 | 11% | 0.107 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 13.4 | -176.7 | -66.7 | -24.2 | 0 | 0 | 0 | 114.2 | K410 L412 N416 K417 L443 D444 | K410-N414 WeakPolarHBondContact O-CB 3.4Å; K410-N414 PolarHBondContact O-N 3.22Å; L412-N414 PolarHBondContact O-N 3.02Å; N414-N416 PolarHBondContact O-N 2.83Å; N414-K417 WeakPolarHBondContact O-CB 3.49Å; N414-K417 PolarHBondContact O-N 3.46Å; N414-L443 HydrophobicContact CB-CB 3.8Å; N414-L443 WeakPolarHBondContact CB-O 3.44Å; N414-L443 PolarHBondContact ND2-O 3.27Å; N414-L443 VanDerWaalsContact ND2-O 3.13Å; N414-D444 HydrophobicContact CB-CB 4.46Å |
| 415 | S | 85.7 | Confident | 88.5 | Confident | 65 Ų | 65 | 83.5 Ų | 83.5 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 131.3 | 177.3 | -170.6 | 0 | 0 | 0 | 0 | 111.2 | R411 K417 | R411-S415 WeakPolarHBondContact O-CB 3.31Å; R411-S415 PolarHBondContact O-N 3.42Å; S415-K417 PolarHBondContact O-N 3.24Å |
| 416 | N | 84.8 | Confident | 88.6 | Confident | 153 Ų | 153 | 77.5 Ų | 77.5 | 82% | 0.818 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 5.3 | -177.3 | -62.7 | -34.5 | 0 | 0 | 0 | 116.5 | N414 | N414-N416 PolarHBondContact O-N 2.83Š|
| 417 | K | 89.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | trans | -88 | 123.2 | 173.9 | -59.3 | -177.9 | -174.5 | 157.9 | 0 | 109.8 | V413 N414 S415 L443 Y510 | V413-K417 WeakPolarHBondContact O-CE 3.49Å; V413-K417 PolarHBondContact O-NZ 3.22Å; N414-K417 WeakPolarHBondContact O-CB 3.49Å; N414-K417 PolarHBondContact O-N 3.46Å; S415-K417 PolarHBondContact O-N 3.24Å; K417-L443 HydrophobicContact CB-CB 4.44Å; K417-L443 HydrophobicContact CB-CD1 3.86Å; K417-L443 PolarHBondContact O-N 3.3Å; K417-L443 VanDerWaalsContact O-N 3.13Å; K417-Y510 WeakPolarHBondContact CD-OH 3.2Å; K417-Y510 WeakPolarHBondContact CG-OH 3.5Å | ||
| 418 | K | 92 | Very high | 88.5 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 33% | 0.326 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.2 | 176.9 | 62 | -172.6 | 174.1 | -171.8 | 0 | 111.1 | R420 Y441 | K418-R420 VanDerWaalsContact NZ-NH2 3.17Å; K418-Y441 CarbonylContact C-O 3.55Å; K418-Y441 WeakPolarHBondContact CA-O 3.42Å; K418-Y441 WeakPolarHBondContact CB-O 3.17Å |
| 419 | L | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.4 | 175 | -52.8 | 178.4 | 0 | 0 | 0 | 108.6 | Y421 S440 Y441 L443 P486 Y510 V511 Y514 | L419-Y421 HydrophobicContact CB-CE2 3.71Å; L419-S440 CarbonylContact O-C 2.94Å; L419-S440 VanDerWaalsContact O-CA 3.28Å; L419-S440 WeakPolarHBondContact O-CA 3.47Å; L419-Y441 PolarHBondContact N-O 3.45Å; L419-Y441 PolarHBondContact O-N 3Å; L419-L443 HydrophobicContact CD1-CD2 3.98Å; L419-L443 HydrophobicContact CD2-CD1 4.1Å; L419-L443 HydrophobicContact CG-CD1 4.16Å; L419-L443 HydrophobicContact CG-CD2 4.15Å; L419-L443 HydrophobicContact CG-CG 4.21Å; L419-P486 HydrophobicContact CD1-CB 3.99Å; L419-P486 HydrophobicContact CD1-CG 4.28Å; L419-Y510 HydrophobicContact CD2-CD1 4.31Å; L419-Y510 HydrophobicContact CD2-CE1 4.19Å; L419-V511 HydrophobicContact CB-CG1 4.45Å; L419-V511 HydrophobicContact CB-CG2 3.82Å; L419-V511 HydrophobicContact CD2-CB 4.4Å; L419-V511 HydrophobicContact CD2-CG1 4.4Å; L419-V511 HydrophobicContact CD2-CG2 4.15Å; L419-Y514 HydrophobicContact CD1-CD1 4.04Å; L419-Y514 HydrophobicContact CD1-CE1 4.25Å; L419-Y514 HydrophobicContact CD2-CD1 3.68Å; L419-Y514 HydrophobicContact CD2-CE1 4.43Å; L419-Y514 HydrophobicContact CD2-CG 3.82Å; L419-Y514 HydrophobicContact CG-CD1 4.42Å |
| 420 | R | 93.3 | Very high | 88.1 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.1 | -176.2 | -75.7 | 176.1 | 156.9 | 176 | -6.8 | 110.6 | K418 I438 L439 D508 V511 | K418-R420 VanDerWaalsContact NZ-NH2 3.17Å; R420-I438 HydrophobicContact CB-CG2 4.47Å; R420-I438 HydrophobicContact CG-CG2 4.43Å; R420-L439 CarbonylContact C-O 3.51Å; R420-L439 WeakPolarHBondContact CA-O 3.26Å; R420-D508 HydrophobicContact CB-CB 4.07Å; R420-D508 PolarHBondContact O-N 3.13Å; R420-V511 WeakPolarHBondContact O-CG2 3.13Å |
| 421 | Y | 91.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.2 | 178.3 | -58.2 | -92.5 | 0 | 0 | 0 | 110.1 | L419 I438 L439 L489 L504 N506 A507 V511 | L419-Y421 HydrophobicContact CB-CE2 3.71Å; Y421-I438 CarbonylContact O-C 3.55Å; Y421-I438 VanDerWaalsContact O-CA 3.3Å; Y421-I438 WeakPolarHBondContact O-CA 3.31Å; Y421-L439 HydrophobicContact CD2-CD2 4.06Å; Y421-L439 PolarHBondContact N-O 2.84Å; Y421-L439 PolarHBondContact O-N 3.17Å; Y421-L489 HydrophobicContact CD2-CD1 4.33Å; Y421-L489 HydrophobicContact CE1-CB 4.34Å; Y421-L489 HydrophobicContact CE2-CB 4.16Å; Y421-L489 HydrophobicContact CE2-CD1 3.65Å; Y421-L504 HydrophobicContact CD1-CD1 4.3Å; Y421-L504 HydrophobicContact CG-CD1 4.48Å; Y421-N506 CarbonylContact C-O 3.57Å; Y421-N506 WeakPolarHBondContact CA-O 3.49Å; Y421-A507 HydrophobicContact CD1-CB 3.55Å; Y421-A507 HydrophobicContact CE1-CB 3.78Å; Y421-V511 HydrophobicContact CE1-CG1 3.66Å; Y421-V511 HydrophobicContact CE2-CG1 4.37Å; Y421-V511 VanDerWaalsContact CZ-CG1 3.49Å; Y421-V511 WeakPolarHBondContact OH-CG1 3.31Å |
| 422 | V | 92.4 | Very high | 87.6 | Confident | 55 Ų | 55 | 71.6 Ų | 71.6 | 33% | 0.333 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.6 | 169.5 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | F437 I505 N506 | V422-F437 CarbonylContact C-O 3.53Å; V422-F437 WeakPolarHBondContact CA-O 3.44Å; V422-I505 PolarHBondContact O-N 3.1Å; V422-N506 HydrophobicContact CB-CB 4.22Å; V422-N506 PolarHBondContact N-O 2.77Å; V422-N506 PolarHBondContact O-N 3.1Å |
| 423 | A | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F437 F502 I503 L504 | A423-F437 HydrophobicContact CB-CB 4.46Å; A423-F437 PolarHBondContact N-O 3.41Å; A423-F437 PolarHBondContact O-N 3.44Å; A423-F502 HydrophobicContact CB-CB 4.22Å; A423-F502 HydrophobicContact CB-CD1 4.47Å; A423-I503 CarbonylContact C-O 3.57Å; A423-I503 VanDerWaalsContact CA-O 3.23Å; A423-I503 WeakPolarHBondContact CA-O 3.45Å; A423-L504 HydrophobicContact CB-CD2 3.95Å |
| 424 | K | 91.6 | Very high | 86.9 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.2 | 165.3 | 58.7 | 176.5 | 178.3 | 176.7 | 0 | 110 | F502 I503 I505 | K424-F502 CarbonylContact O-C 3.51Å; K424-F502 WeakPolarHBondContact O-CA 3.36Å; K424-I503 HydrophobicContact CG-CB 3.93Å; K424-I503 PolarHBondContact N-O 3.07Å; K424-I503 PolarHBondContact O-N 3.37Å; K424-I505 HydrophobicContact CB-CD1 3.59Å; K424-I505 HydrophobicContact CB-CG1 4.36Å; K424-I505 HydrophobicContact CD-CD1 3.94Å; K424-I505 HydrophobicContact CD-CG1 4.18Å; K424-I505 HydrophobicContact CG-CD1 3.63Å; K424-I505 HydrophobicContact CG-CG1 3.89Å |
| 425 | L | 90.3 | Very high | 87 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.5 | 173.9 | -176.1 | 68 | 0 | 0 | 0 | 109.8 | S427 D432 F437 H500 F502 | L425-S427 PolarHBondContact O-N 2.74Å; L425-D432 HydrophobicContact CD2-CB 4.18Å; L425-F437 HydrophobicContact CB-CD2 4.29Å; L425-F437 HydrophobicContact CB-CE2 3.61Å; L425-F437 HydrophobicContact CB-CZ 4.34Å; L425-H500 HydrophobicContact CD1-CB 4Å; L425-F502 HydrophobicContact CB-CD1 4.5Å; L425-F502 HydrophobicContact CB-CE1 4.32Å; L425-F502 HydrophobicContact CD1-CD1 4.12Å; L425-F502 HydrophobicContact CD1-CE1 3.73Å; L425-F502 HydrophobicContact CD1-CE2 4.32Å; L425-F502 HydrophobicContact CD1-CZ 3.84Å |
| 426 | D | 87.8 | Confident | 87.2 | Confident | 62 Ų | 62 | 76 Ų | 76 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | trans | -88.9 | 78.4 | 172.9 | -173 | 29.1 | 0 | 0 | 0 | 109.9 | R501 I503 | D426-R501 HydrophobicContact CB-CB 4.14Å; D426-R501 PolarHBondContact N-O 3.29Å; D426-R501 IonicContact OD1-NH2 2.74Å; D426-R501 IonicContact OD2-CZ 2.96Å; D426-R501 IonicContact OD2-NE 3.69Å; D426-R501 IonicContact OD2-NH1 2.66Å; D426-R501 PolarHBondContact OD2-NH1 2.97Å; D426-R501 IonicContact OD2-NH2 2.86Å; D426-R501 PolarHBondContact OD2-NH2 3.42Å; D426-I503 HydrophobicContact CB-CD1 3.81Å; D426-I503 HydrophobicContact CB-CG1 4.18Å | ||
| 427 | S | 84.9 | Confident | 87.6 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | trans | -109.7 | 143.6 | -176.8 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L425 Y429 D432 | L425-S427 PolarHBondContact O-N 2.74Å; S427-Y429 PolarHBondContact O-N 2.99Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.44Å; S427-Y429 PolarHBondContact OG-N 3.17Å; S427-D432 WeakPolarHBondContact CB-OD2 3.35Å; S427-D432 PolarHBondContact OG-OD2 3.05Å | ||
| 428 | P | 82.3 | Confident | 87.8 | Confident | 113 Ų | 113 | 67.6 Ų | 67.6 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -67.5 | -17.9 | 173.1 | 29.3 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 429 | Y | 84.3 | Confident | 87.9 | Confident | 157 Ų | 157 | 64.1 Ų | 64.1 | 62% | 0.616 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -79.2 | 128.6 | -179.6 | -59.1 | -71 | 0 | 0 | 0 | 111.2 | S427 E431 D432 | S427-Y429 PolarHBondContact O-N 2.99Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.44Å; S427-Y429 PolarHBondContact OG-N 3.17Å; Y429-E431 PolarHBondContact O-N 3.26Å; Y429-D432 PolarHBondContact O-N 3.49Å |
| 430 | P | 80.3 | Confident | 88 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 60% | 0.597 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -66.2 | -27 | -177.6 | 25.7 | -33.4 | 0 | 0 | 0 | 113.1 | D432 R433 | P430-D432 PolarHBondContact O-N 3.22Å; P430-R433 PolarHBondContact O-N 2.71Å |
| 431 | E | 80.7 | Confident | 88 | Confident | 161 Ų | 161 | 59.7 Ų | 59.7 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -64.9 | -27.2 | 178 | -60.2 | -179.6 | -176.7 | 0 | 0 | 112.6 | Y429 | Y429-E431 PolarHBondContact O-N 3.26Š|
| 432 | D | 82.3 | Confident | 88.1 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -84.5 | -16.9 | -176.9 | -75 | -31.9 | 0 | 0 | 0 | 114 | L425 S427 Y429 P430 D434 R435 | L425-D432 HydrophobicContact CD2-CB 4.18Å; S427-D432 WeakPolarHBondContact CB-OD2 3.35Å; S427-D432 PolarHBondContact OG-OD2 3.05Å; Y429-D432 PolarHBondContact O-N 3.49Å; P430-D432 PolarHBondContact O-N 3.22Å; D432-D434 PolarHBondContact O-N 3.02Å; D432-R435 WeakPolarHBondContact O-CB 3.41Å; D432-R435 PolarHBondContact O-N 3.19Å; D432-R435 VanDerWaalsContact O-N 3.11Å; D432-R435 WeakPolarHBondContact OD1-CD 3.44Å; D432-R435 IonicContact OD1-CZ 2.74Å; D432-R435 IonicContact OD1-NE 3.81Å; D432-R435 IonicContact OD1-NH1 3.67Å; D432-R435 PolarHBondContact OD1-NH1 3.31Å |
| 433 | R | 80.1 | Confident | 88 | Confident | 165 Ų | 165 | 57.8 Ų | 57.8 | 62% | 0.623 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32.2 | -173.7 | -68.8 | -178.4 | 176.8 | -177.7 | 0.1 | 113.3 | P430 R436 | P430-R433 PolarHBondContact O-N 2.71Å; R433-R436 PolarHBondContact O-NH1 3.02Å |
| 434 | D | 81.9 | Confident | 87.8 | Confident | 96 Ų | 96 | 59.4 Ų | 59.4 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -7.7 | -176.3 | -90.2 | 14.6 | 0 | 0 | 0 | 113.3 | D432 R455 | D432-D434 PolarHBondContact O-N 3.02Å; D434-R455 IonicContact OD2-CZ 3.36Å; D434-R455 IonicContact OD2-NH1 3.7Å; D434-R455 PolarHBondContact OD2-NH1 3.11Å |
| 435 | R | 88.4 | Confident | 87.6 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | trans | -72.3 | 137.7 | -179.8 | -61.3 | 172.3 | 71.5 | -176.3 | 0.8 | 110 | D432 F437 E452 I460 | D432-R435 WeakPolarHBondContact O-CB 3.41Å; D432-R435 PolarHBondContact O-N 3.19Å; D432-R435 VanDerWaalsContact O-N 3.11Å; D432-R435 WeakPolarHBondContact OD1-CD 3.44Å; D432-R435 IonicContact OD1-CZ 2.74Å; D432-R435 IonicContact OD1-NE 3.81Å; D432-R435 IonicContact OD1-NH1 3.67Å; D432-R435 PolarHBondContact OD1-NH1 3.31Å; R435-F437 HydrophobicContact CB-CE2 3.59Å; R435-F437 HydrophobicContact CB-CZ 3.86Å; R435-E452 IonicContact CZ-OE1 2.75Å; R435-E452 IonicContact CZ-OE2 3.67Å; R435-E452 IonicContact NE-OE1 2.86Å; R435-E452 PolarHBondContact NE-OE1 3.05Å; R435-E452 IonicContact NE-OE2 3.8Å; R435-E452 VanDerWaalsContact NH2-CD 3.34Å; R435-E452 IonicContact NH2-OE1 3.77Å; R435-E452 PolarHBondContact NH2-OE1 3.08Å; R435-E452 IonicContact NH2-OE2 2.74Å; R435-E452 PolarHBondContact NH2-OE2 3.18Å; R435-I460 HydrophobicContact CG-CD1 4.21Å | ||
| 436 | R | 89.1 | Confident | 87.6 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.1 | 179.2 | -67.5 | -67.4 | -174.8 | -90 | -2.8 | 109.3 | R433 T453 | R433-R436 PolarHBondContact O-NH1 3.02Å; R436-T453 PolarHBondContact O-N 3.27Å; R436-T453 PolarHBondContact O-OG1 3.23Å; R436-T453 VanDerWaalsContact O-OG1 3.13Å |
| 437 | F | 92.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.5 | -176.4 | -59.5 | -89.1 | 0 | 0 | 0 | 109.2 | V422 A423 L425 R435 I450 Y451 E452 F465 F502 | V422-F437 CarbonylContact C-O 3.53Å; V422-F437 WeakPolarHBondContact CA-O 3.44Å; A423-F437 HydrophobicContact CB-CB 4.46Å; A423-F437 PolarHBondContact N-O 3.41Å; A423-F437 PolarHBondContact O-N 3.44Å; L425-F437 HydrophobicContact CB-CD2 4.29Å; L425-F437 HydrophobicContact CB-CE2 3.61Å; L425-F437 HydrophobicContact CB-CZ 4.34Å; R435-F437 HydrophobicContact CB-CE2 3.59Å; R435-F437 HydrophobicContact CB-CZ 3.86Å; F437-I450 HydrophobicContact CB-CG2 3.84Å; F437-I450 HydrophobicContact CD1-CG2 3.95Å; F437-I450 HydrophobicContact CG-CG2 4.24Å; F437-Y451 CarbonylContact C-O 3.53Å; F437-Y451 WeakPolarHBondContact CA-O 3.4Å; F437-E452 HydrophobicContact CD1-CB 3.86Å; F437-E452 HydrophobicContact CD1-CG 4.18Å; F437-E452 HydrophobicContact CE1-CB 3.82Å; F437-E452 HydrophobicContact CE1-CG 3.86Å; F437-E452 HydrophobicContact CZ-CG 4.44Å; F437-F465 HydrophobicContact CD1-CB 4.33Å; F437-F465 HydrophobicContact CD1-CD2 4.45Å; F437-F465 HydrophobicContact CD1-CG 4.37Å; F437-F465 HydrophobicContact CE1-CB 4.35Å; F437-F465 AromaticContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CE2 4.26Å; F437-F465 HydrophobicContact CE1-CG 4.08Å; F437-F502 HydrophobicContact CB-CD1 4.44Å; F437-F502 HydrophobicContact CB-CE1 4.3Å; F437-F502 HydrophobicContact CD1-CE1 4.1Å; F437-F502 HydrophobicContact CD2-CD1 4.13Å; F437-F502 AromaticContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CE1-CE1 4.38Å; F437-F502 HydrophobicContact CE2-CE1 4.1Å; F437-F502 HydrophobicContact CG-CD1 4.27Å; F437-F502 AromaticContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CZ-CE1 4.38Å |
| 438 | I | 93.3 | Very high | 88.2 | Confident | 52 Ų | 52 | 58 Ų | 58 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 108.4 | 170.4 | -58.5 | 173.1 | 0 | 0 | 0 | 106.9 | R420 Y421 I450 Y451 T453 | R420-I438 HydrophobicContact CB-CG2 4.47Å; R420-I438 HydrophobicContact CG-CG2 4.43Å; Y421-I438 CarbonylContact O-C 3.55Å; Y421-I438 VanDerWaalsContact O-CA 3.3Å; Y421-I438 WeakPolarHBondContact O-CA 3.31Å; I438-I450 WeakPolarHBondContact O-CA 3.31Å; I438-Y451 PolarHBondContact N-O 2.93Å; I438-Y451 PolarHBondContact O-N 3.27Å; I438-T453 HydrophobicContact CD1-CG2 3.59Å; I438-T453 HydrophobicContact CG1-CG2 3.77Å |
| 439 | L | 94.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 115.6 | 171.7 | -172.6 | 151.8 | 0 | 0 | 0 | 108.3 | R420 Y421 I448 I450 L489 V495 L504 | R420-L439 CarbonylContact C-O 3.51Å; R420-L439 WeakPolarHBondContact CA-O 3.26Å; Y421-L439 HydrophobicContact CD2-CD2 4.06Å; Y421-L439 PolarHBondContact N-O 2.84Å; Y421-L439 PolarHBondContact O-N 3.17Å; L439-I448 HydrophobicContact CD1-CG2 4.02Å; L439-I448 HydrophobicContact CD2-CG2 3.9Å; L439-I448 HydrophobicContact CG-CG2 3.68Å; L439-I450 HydrophobicContact CD1-CD1 4.48Å; L439-I450 HydrophobicContact CD1-CG1 4.47Å; L439-I450 HydrophobicContact CG-CG1 4.36Å; L439-L489 HydrophobicContact CD2-CD1 4.42Å; L439-V495 HydrophobicContact CD1-CG1 4.37Å; L439-L504 HydrophobicContact CD1-CD2 4.31Å |
| 440 | S | 93.9 | Very high | 89.3 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.6 | 176 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | L419 S449 | L419-S440 CarbonylContact O-C 2.94Å; L419-S440 VanDerWaalsContact O-CA 3.28Å; L419-S440 WeakPolarHBondContact O-CA 3.47Å; S440-S449 PolarHBondContact N-O 3.47Å; S440-S449 PolarHBondContact O-N 2.9Å; S440-S449 PolarHBondContact O-OG 3.12Å |
| 441 | Y | 93.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.8 | 171.5 | -171.9 | -86 | 0 | 0 | 0 | 109.7 | K418 L419 L443 D446 I448 Y484 P486 L489 | K418-Y441 CarbonylContact C-O 3.55Å; K418-Y441 WeakPolarHBondContact CA-O 3.42Å; K418-Y441 WeakPolarHBondContact CB-O 3.17Å; L419-Y441 PolarHBondContact N-O 3.45Å; L419-Y441 PolarHBondContact O-N 3Å; Y441-L443 HydrophobicContact CD1-CD2 3.95Å; Y441-L443 HydrophobicContact CD1-CG 4.5Å; Y441-L443 HydrophobicContact CE1-CD2 4Å; Y441-D446 WeakPolarHBondContact OH-CB 3.39Å; Y441-D446 PolarHBondContact OH-OD1 3.44Å; Y441-I448 HydrophobicContact CD2-CD1 4.17Å; Y441-I448 HydrophobicContact CD2-CG1 3.68Å; Y441-I448 HydrophobicContact CE2-CG1 4.21Å; Y441-Y484 WeakPolarHBondContact CE2-O 3.33Å; Y441-Y484 PolarHBondContact OH-O 3.5Å; Y441-P486 HydrophobicContact CD1-CG 4.1Å; Y441-P486 HydrophobicContact CE1-CG 3.61Å; Y441-L489 HydrophobicContact CD2-CD1 3.86Å; Y441-L489 HydrophobicContact CG-CD1 4.11Å |
| 442 | H | 93.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 119.5 | -178.7 | -59.4 | -93.9 | 0 | 0 | 0 | 109.5 | D444 D446 M447 S449 K468 | H442-D444 VanDerWaalsContact C-N 3.28Å; H442-D444 VanDerWaalsContact CB-OD1 3.27Å; H442-D444 WeakPolarHBondContact CB-OD1 3.49Å; H442-D444 PolarHBondContact O-N 3.29Å; H442-D446 VanDerWaalsContact O-CA 3.32Å; H442-D446 WeakPolarHBondContact O-CA 3.39Å; H442-D446 PolarHBondContact O-N 3.4Å; H442-M447 PolarHBondContact CD2-O 3.26Å; H442-M447 PolarHBondContact N-O 3.13Å; H442-S449 PolarHBondContact NE2-OG 2.71Å; H442-K468 WeakPolarHBondContact CE1-CE 3.05Å; H442-K468 PolarHBondContact CE1-NZ 3.44Å; H442-K468 PolarHBondContact ND1-NZ 3.34Å; H442-K468 VanDerWaalsContact ND1-NZ 3.15Å |
| 443 | L | 90.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.3 | -172 | -69.1 | 169.4 | 0 | 0 | 0 | 113.9 | K410 N414 K417 L419 Y441 P486 Y514 | K410-L443 VanDerWaalsContact CE-O 3.25Å; K410-L443 WeakPolarHBondContact CE-O 3.35Å; N414-L443 HydrophobicContact CB-CB 3.8Å; N414-L443 WeakPolarHBondContact CB-O 3.44Å; N414-L443 PolarHBondContact ND2-O 3.27Å; N414-L443 VanDerWaalsContact ND2-O 3.13Å; K417-L443 HydrophobicContact CB-CB 4.44Å; K417-L443 HydrophobicContact CB-CD1 3.86Å; K417-L443 PolarHBondContact O-N 3.3Å; K417-L443 VanDerWaalsContact O-N 3.13Å; L419-L443 HydrophobicContact CD1-CD2 3.98Å; L419-L443 HydrophobicContact CD2-CD1 4.1Å; L419-L443 HydrophobicContact CG-CD1 4.16Å; L419-L443 HydrophobicContact CG-CD2 4.15Å; L419-L443 HydrophobicContact CG-CG 4.21Å; Y441-L443 HydrophobicContact CD1-CD2 3.95Å; Y441-L443 HydrophobicContact CD1-CG 4.5Å; Y441-L443 HydrophobicContact CE1-CD2 4Å; L443-P486 HydrophobicContact CD2-CG 4.16Å; L443-Y514 HydrophobicContact CD1-CD1 4.33Å; L443-Y514 HydrophobicContact CD1-CD2 3.9Å; L443-Y514 HydrophobicContact CD1-CE1 3.94Å; L443-Y514 HydrophobicContact CD1-CE2 3.45Å; L443-Y514 VanDerWaalsContact CD1-CE2 3.45Å; L443-Y514 HydrophobicContact CD1-CG 4.31Å; L443-Y514 VanDerWaalsContact CD1-CZ 3.48Å; L443-Y514 HydrophobicContact CD2-CE1 3.78Å |
| 444 | D | 89.3 | Confident | 91 | Very high | 34 Ų | 34 | 38 Ų | 38 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -37.2 | 178 | 58.6 | -18.4 | 0 | 0 | 0 | 112.5 | R411 N414 H442 | R411-D444 HydrophobicContact CG-CB 4.44Å; N414-D444 HydrophobicContact CB-CB 4.46Å; H442-D444 VanDerWaalsContact C-N 3.28Å; H442-D444 VanDerWaalsContact CB-OD1 3.27Å; H442-D444 WeakPolarHBondContact CB-OD1 3.49Å; H442-D444 PolarHBondContact O-N 3.29Å |
| 445 | T | 87.4 | Confident | 90.9 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 0.9 | -175.7 | 63.7 | 0 | 0 | 0 | 0 | 115.1 | M447 Q470 | T445-M447 PolarHBondContact O-N 3.42Å; T445-M447 WeakPolarHBondContact OG1-CB 3.38Å; T445-M447 WeakPolarHBondContact OG1-CG 3.46Å; T445-M447 PolarHBondContact OG1-SD 3.41Å; T445-M447 VanDerWaalsContact OG1-SD 3.41Å; T445-Q470 PolarHBondContact O-NE2 2.8Å |
| 446 | D | 89.9 | Confident | 90.5 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 24.3 | -174.7 | -58.2 | -37.5 | 0 | 0 | 0 | 113.8 | K410 Y441 H442 | K410-D446 VanDerWaalsContact CE-OD1 3.27Å; K410-D446 WeakPolarHBondContact CE-OD1 3.32Å; K410-D446 IonicContact NZ-OD1 3.14Å; K410-D446 PolarHBondContact NZ-OD1 2.61Å; K410-D446 IonicContact NZ-OD2 2.65Å; K410-D446 PolarHBondContact NZ-OD2 2.95Å; Y441-D446 WeakPolarHBondContact OH-CB 3.39Å; Y441-D446 PolarHBondContact OH-OD1 3.44Å; H442-D446 VanDerWaalsContact O-CA 3.32Å; H442-D446 WeakPolarHBondContact O-CA 3.39Å; H442-D446 PolarHBondContact O-N 3.4Å |
| 447 | M | 91.9 | Very high | 90 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 149.8 | -179 | -69.7 | 175.1 | 179 | 0 | 0 | 111.5 | H442 T445 K468 C469 Q470 | H442-M447 PolarHBondContact CD2-O 3.26Å; H442-M447 PolarHBondContact N-O 3.13Å; T445-M447 PolarHBondContact O-N 3.42Å; T445-M447 WeakPolarHBondContact OG1-CB 3.38Å; T445-M447 WeakPolarHBondContact OG1-CG 3.46Å; T445-M447 PolarHBondContact OG1-SD 3.41Å; T445-M447 VanDerWaalsContact OG1-SD 3.41Å; M447-K468 HydrophobicContact CB-CB 4.33Å; M447-K468 HydrophobicContact SD-CB 4.2Å; M447-C469 WeakPolarHBondContact CA-O 3.25Å; M447-Q470 HydrophobicContact CE-CG 4.3Å; M447-Q470 HydrophobicContact CG-CG 3.74Å |
| 448 | I | 93.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.5 | 173.4 | -61.3 | 178.6 | 0 | 0 | 0 | 108.8 | L439 Y441 I450 C469 V471 | L439-I448 HydrophobicContact CD1-CG2 4.02Å; L439-I448 HydrophobicContact CD2-CG2 3.9Å; L439-I448 HydrophobicContact CG-CG2 3.68Å; Y441-I448 HydrophobicContact CD2-CD1 4.17Å; Y441-I448 HydrophobicContact CD2-CG1 3.68Å; Y441-I448 HydrophobicContact CE2-CG1 4.21Å; I448-I450 HydrophobicContact CG2-CG1 4.16Å; I448-C469 PolarHBondContact N-O 3.27Å; I448-C469 PolarHBondContact O-N 3.09Å; I448-V471 HydrophobicContact CB-CG2 3.98Å; I448-V471 HydrophobicContact CD1-CB 4.23Å; I448-V471 HydrophobicContact CD1-CG2 4.25Å; I448-V471 HydrophobicContact CG1-CG2 4.46Å |
| 449 | S | 94.8 | Very high | 88.4 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139 | 167.7 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | S440 H442 | S440-S449 PolarHBondContact N-O 3.47Å; S440-S449 PolarHBondContact O-N 2.9Å; S440-S449 PolarHBondContact O-OG 3.12Å; H442-S449 PolarHBondContact NE2-OG 2.71Å |
| 450 | I | 94.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128 | -176.5 | -55.3 | 177.1 | 0 | 0 | 0 | 108.5 | F437 I438 L439 I448 F465 L466 V497 F502 | F437-I450 HydrophobicContact CB-CG2 3.84Å; F437-I450 HydrophobicContact CD1-CG2 3.95Å; F437-I450 HydrophobicContact CG-CG2 4.24Å; I438-I450 WeakPolarHBondContact O-CA 3.31Å; L439-I450 HydrophobicContact CD1-CD1 4.48Å; L439-I450 HydrophobicContact CD1-CG1 4.47Å; L439-I450 HydrophobicContact CG-CG1 4.36Å; I448-I450 HydrophobicContact CG2-CG1 4.16Å; I450-F465 HydrophobicContact CB-CB 4.27Å; I450-F465 HydrophobicContact CB-CD1 4.41Å; I450-F465 HydrophobicContact CG2-CB 4.03Å; I450-F465 HydrophobicContact CG2-CD1 4.26Å; I450-F465 HydrophobicContact CG2-CG 4.43Å; I450-F465 PolarHBondContact O-N 3.27Å; I450-L466 HydrophobicContact CB-CB 3.82Å; I450-L466 HydrophobicContact CD1-CB 4.27Å; I450-L466 HydrophobicContact CD1-CD2 4.24Å; I450-L466 HydrophobicContact CG1-CB 4.01Å; I450-L466 HydrophobicContact CG1-CD2 4.28Å; I450-L466 PolarHBondContact N-O 3.25Å; I450-L466 VanDerWaalsContact N-O 3.08Å; I450-L466 PolarHBondContact O-N 3.08Å; I450-V497 HydrophobicContact CD1-CB 4.34Å; I450-V497 HydrophobicContact CD1-CG1 4.1Å; I450-V497 HydrophobicContact CD1-CG2 4.11Å; I450-F502 HydrophobicContact CD1-CD2 4.04Å; I450-F502 HydrophobicContact CD1-CE2 3.72Å; I450-F502 HydrophobicContact CD1-CZ 4.05Å; I450-F502 HydrophobicContact CG2-CE1 4.39Å; I450-F502 HydrophobicContact CG2-CZ 4.46Å |
| 451 | Y | 93.8 | Very high | 87.1 | Confident | 112 Ų | 112 | 67.5 Ų | 67.5 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 130.8 | 178.8 | -167.2 | -89.8 | 0 | 0 | 0 | 110.3 | F437 I438 G463 K464 | F437-Y451 CarbonylContact C-O 3.53Å; F437-Y451 WeakPolarHBondContact CA-O 3.4Å; I438-Y451 PolarHBondContact N-O 2.93Å; I438-Y451 PolarHBondContact O-N 3.27Å; Y451-G463 VanDerWaalsContact CE2-C 3.47Å; Y451-K464 HydrophobicContact CD2-CB 4.16Å; Y451-K464 HydrophobicContact CE2-CB 4.42Å |
| 452 | E | 92.3 | Very high | 86.6 | Confident | 15 Ų | 15 | 69 Ų | 69 | 7% | 0.07 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129 | 177.2 | -175.5 | 168.9 | -171.9 | 0 | 0 | 110.7 | R435 F437 G463 | R435-E452 IonicContact CZ-OE1 2.75Å; R435-E452 IonicContact CZ-OE2 3.67Å; R435-E452 IonicContact NE-OE1 2.86Å; R435-E452 PolarHBondContact NE-OE1 3.05Å; R435-E452 IonicContact NE-OE2 3.8Å; R435-E452 VanDerWaalsContact NH2-CD 3.34Å; R435-E452 IonicContact NH2-OE1 3.77Å; R435-E452 PolarHBondContact NH2-OE1 3.08Å; R435-E452 IonicContact NH2-OE2 2.74Å; R435-E452 PolarHBondContact NH2-OE2 3.18Å; F437-E452 HydrophobicContact CD1-CB 3.86Å; F437-E452 HydrophobicContact CD1-CG 4.18Å; F437-E452 HydrophobicContact CE1-CB 3.82Å; F437-E452 HydrophobicContact CE1-CG 3.86Å; F437-E452 HydrophobicContact CZ-CG 4.44Å; E452-G463 PolarHBondContact N-O 3.48Å |
| 453 | T | 88.3 | Confident | 86.3 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 131.1 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | R436 I438 R455 | R436-T453 PolarHBondContact O-N 3.27Å; R436-T453 PolarHBondContact O-OG1 3.23Å; R436-T453 VanDerWaalsContact O-OG1 3.13Å; I438-T453 HydrophobicContact CD1-CG2 3.59Å; I438-T453 HydrophobicContact CG1-CG2 3.77Å; T453-R455 PolarHBondContact O-N 3.41Å |
| 454 | P | 84.3 | Confident | 86.4 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 61% | 0.61 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 127.8 | 176.3 | 22.6 | -31 | 0 | 0 | 0 | 111.6 | S462 | P454-S462 VanDerWaalsContact CA-CB 3.47Å; P454-S462 VanDerWaalsContact CA-OG 3.27Å; P454-S462 WeakPolarHBondContact CA-OG 3.16Å; P454-S462 VanDerWaalsContact CB-OG 3.23Å; P454-S462 WeakPolarHBondContact CB-OG 3.21Å |
| 455 | R | 81.3 | Confident | 86.5 | Confident | 154 Ų | 154 | 77.6 Ų | 77.6 | 58% | 0.581 | 41% | 0.406 | S | S | * | . | trans | -116.4 | 125.4 | 169.8 | -168.6 | 178.9 | -178.7 | -167.5 | -0.4 | 109.7 | D434 T453 S458 | D434-R455 IonicContact OD2-CZ 3.36Å; D434-R455 IonicContact OD2-NH1 3.7Å; D434-R455 PolarHBondContact OD2-NH1 3.11Å; T453-R455 PolarHBondContact O-N 3.41Å; R455-S458 WeakPolarHBondContact O-CB 3.02Å; R455-S458 PolarHBondContact O-N 3.3Å; R455-S458 PolarHBondContact O-OG 2.9Å | ||
| 456 | R | 79.3 | Confident | 86.7 | Confident | 231 Ų | 231 | 76.8 Ų | 76.8 | 87% | 0.872 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 140.9 | 175.4 | -65.3 | -175.1 | 179.5 | -168.3 | 0.4 | 109.7 | S458 | R456-S458 VanDerWaalsContact C-N 3.25Å; R456-S458 PolarHBondContact O-N 2.97Å |
| 457 | N | 77.7 | Confident | 86.8 | Confident | 175 Ų | 175 | 77.1 Ų | 77.1 | 94% | 0.936 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 20.5 | 177.6 | -48.6 | -27.4 | 0 | 0 | 0 | 115.5 | ||
| 458 | S | 74.8 | Confident | 86.8 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 37% | 0.371 | 42% | 0.419 | S | S | . | . | trans | -85.5 | -18.2 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | R455 R456 I460 | R455-S458 WeakPolarHBondContact O-CB 3.02Å; R455-S458 PolarHBondContact O-N 3.3Å; R455-S458 PolarHBondContact O-OG 2.9Å; R456-S458 VanDerWaalsContact C-N 3.25Å; R456-S458 PolarHBondContact O-N 2.97Å; S458-I460 PolarHBondContact O-N 2.79Å | ||
| 459 | G | 78.4 | Confident | 86.6 | Confident | 85 Ų | 85 | 82 Ų | 82 | 88% | 0.876 | 44% | 0.435 | S | S | * | . | trans | 72.5 | -3.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 460 | I | 79.8 | Confident | 86.4 | Confident | 58 Ų | 58 | 84.3 Ų | 84.3 | 30% | 0.297 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -105.6 | 132.4 | -177.7 | -58.7 | 171 | 0 | 0 | 0 | 109.6 | R435 S458 S462 | R435-I460 HydrophobicContact CG-CD1 4.21Å; S458-I460 PolarHBondContact O-N 2.79Å; I460-S462 PolarHBondContact O-N 3.36Å; I460-S462 VanDerWaalsContact O-N 3.11Å |
| 461 | I | 81.5 | Confident | 86.2 | Confident | 167 Ų | 167 | 84.5 Ų | 84.5 | 86% | 0.856 | 45% | 0.445 | S | S | * | . | trans | -73.9 | 103.2 | 174.2 | -59.5 | 170.6 | 0 | 0 | 0 | 108.1 | ||||
| 462 | S | 82.9 | Confident | 86 | Confident | 35 Ų | 35 | 81 Ų | 81 | 25% | 0.245 | 44% | 0.439 | C | S | . | . | trans | -72.4 | 148 | 173.7 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | P454 I460 | P454-S462 VanDerWaalsContact CA-CB 3.47Å; P454-S462 VanDerWaalsContact CA-OG 3.27Å; P454-S462 WeakPolarHBondContact CA-OG 3.16Å; P454-S462 VanDerWaalsContact CB-OG 3.23Å; P454-S462 WeakPolarHBondContact CB-OG 3.21Å; I460-S462 PolarHBondContact O-N 3.36Å; I460-S462 VanDerWaalsContact O-N 3.11Å | ||
| 463 | G | 87 | Confident | 85.8 | Confident | 19 Ų | 19 | 83 Ų | 83 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | S | Bend | trans | 173.4 | -154.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y451 E452 F465 | Y451-G463 VanDerWaalsContact CE2-C 3.47Å; E452-G463 PolarHBondContact N-O 3.48Å; G463-F465 PolarHBondContact O-N 2.98Å |
| 464 | K | 91.1 | Very high | 85.6 | Confident | 142 Ų | 142 | 84.4 Ų | 84.4 | 62% | 0.617 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 110.9 | 175.4 | 178.4 | -177.7 | -99 | 176.3 | 0 | 109.4 | Y451 A467 | Y451-K464 HydrophobicContact CD2-CB 4.16Å; Y451-K464 HydrophobicContact CE2-CB 4.42Å; K464-A467 HydrophobicContact CD-CB 4.04Å |
| 465 | F | 91 | Very high | 85.2 | Confident | 70 Ų | 70 | 84 Ų | 84 | 31% | 0.307 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -42.4 | 175.4 | -172.1 | -87 | 0 | 0 | 0 | 111.3 | F437 I450 G463 F502 | F437-F465 HydrophobicContact CD1-CB 4.33Å; F437-F465 HydrophobicContact CD1-CD2 4.45Å; F437-F465 HydrophobicContact CD1-CG 4.37Å; F437-F465 HydrophobicContact CE1-CB 4.35Å; F437-F465 AromaticContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CD2 3.72Å; F437-F465 HydrophobicContact CE1-CE2 4.26Å; F437-F465 HydrophobicContact CE1-CG 4.08Å; I450-F465 HydrophobicContact CB-CB 4.27Å; I450-F465 HydrophobicContact CB-CD1 4.41Å; I450-F465 HydrophobicContact CG2-CB 4.03Å; I450-F465 HydrophobicContact CG2-CD1 4.26Å; I450-F465 HydrophobicContact CG2-CG 4.43Å; I450-F465 PolarHBondContact O-N 3.27Å; G463-F465 PolarHBondContact O-N 2.98Å; F465-F502 AromaticContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CE1-CE2 4.2Å; F465-F502 AromaticContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CZ-CZ 4.1Å |
| 466 | L | 93 | Very high | 85.2 | Confident | 27 Ų | 27 | 78.5 Ų | 78.5 | 14% | 0.141 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 125.4 | 175.6 | -168.7 | 77.1 | 0 | 0 | 0 | 110.4 | I450 V471 V497 F498 | I450-L466 HydrophobicContact CB-CB 3.82Å; I450-L466 HydrophobicContact CD1-CB 4.27Å; I450-L466 HydrophobicContact CD1-CD2 4.24Å; I450-L466 HydrophobicContact CG1-CB 4.01Å; I450-L466 HydrophobicContact CG1-CD2 4.28Å; I450-L466 PolarHBondContact N-O 3.25Å; I450-L466 VanDerWaalsContact N-O 3.08Å; I450-L466 PolarHBondContact O-N 3.08Å; L466-V471 HydrophobicContact CD2-CG2 4.18Å; L466-V497 HydrophobicContact CD2-CG1 3.71Å; L466-F498 HydrophobicContact CD1-CD2 3.75Å; L466-F498 HydrophobicContact CD1-CE2 3.65Å; L466-F498 HydrophobicContact CD2-CE2 4.41Å |
| 467 | A | 92.4 | Very high | 85.3 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 166.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K464 C469 | K464-A467 HydrophobicContact CD-CB 4.04Å; A467-C469 PolarHBondContact O-N 2.77Å |
| 468 | K | 90.5 | Very high | 85.2 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 48% | 0.478 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 115.8 | 177.5 | -63.9 | -172 | -177.2 | -157.3 | 0 | 108.9 | H442 M447 | H442-K468 WeakPolarHBondContact CE1-CE 3.05Å; H442-K468 PolarHBondContact CE1-NZ 3.44Å; H442-K468 PolarHBondContact ND1-NZ 3.34Å; H442-K468 VanDerWaalsContact ND1-NZ 3.15Å; M447-K468 HydrophobicContact CB-CB 4.33Å; M447-K468 HydrophobicContact SD-CB 4.2Å |
| 469 | C | 90.5 | Very high | 85.3 | Confident | 49 Ų | 49 | 70 Ų | 70 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 152.2 | 179.2 | -169.4 | 0 | 0 | 0 | 0 | 109.5 | M447 I448 A467 | M447-C469 WeakPolarHBondContact CA-O 3.25Å; I448-C469 PolarHBondContact N-O 3.27Å; I448-C469 PolarHBondContact O-N 3.09Å; A467-C469 PolarHBondContact O-N 2.77Å |
| 470 | Q | 89.2 | Confident | 85.4 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | trans | -78.1 | 131.8 | 169.4 | -69.2 | -175.1 | -5.7 | 0 | 0 | 108.8 | T445 M447 Y483 | T445-Q470 PolarHBondContact O-NE2 2.8Å; M447-Q470 HydrophobicContact CE-CG 4.3Å; M447-Q470 HydrophobicContact CG-CG 3.74Å; Q470-Y483 HydrophobicContact CB-CD1 3.84Å; Q470-Y483 HydrophobicContact CB-CE1 3.8Å | ||
| 471 | V | 90.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.03 | 41% | 0.412 | C | S | . | . | trans | -111.3 | 121.7 | -177.3 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | I448 L466 Y483 Y484 V497 | I448-V471 HydrophobicContact CB-CG2 3.98Å; I448-V471 HydrophobicContact CD1-CB 4.23Å; I448-V471 HydrophobicContact CD1-CG2 4.25Å; I448-V471 HydrophobicContact CG1-CG2 4.46Å; L466-V471 HydrophobicContact CD2-CG2 4.18Å; V471-Y483 WeakPolarHBondContact O-CA 3.33Å; V471-Y484 HydrophobicContact CB-CD2 3.98Å; V471-Y484 HydrophobicContact CB-CE2 4.45Å; V471-Y484 HydrophobicContact CG1-CD2 3.78Å; V471-Y484 HydrophobicContact CG1-CE2 3.74Å; V471-Y484 WeakPolarHBondContact O-CD2 3.44Å; V471-Y484 PolarHBondContact O-N 3.48Å; V471-Y484 VanDerWaalsContact O-N 3.11Å; V471-V497 HydrophobicContact CG1-CB 4.26Å; V471-V497 HydrophobicContact CG1-CG1 4.04Å; V471-V497 HydrophobicContact CG1-CG2 4.12Å; V471-V497 HydrophobicContact CG2-CG1 4Å | ||
| 472 | A | 89.9 | Confident | 86 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 148.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y483 Y484 | A472-Y483 HydrophobicContact CB-CD1 4.29Å; A472-Y483 HydrophobicContact CB-CE1 4.4Å; A472-Y484 WeakPolarHBondContact O-CE2 3.32Å |
| 473 | K | 88.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 67 Ų | 67 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -70 | 150.3 | 176.8 | -68.4 | -175.8 | -172.2 | -175.8 | 0 | 111 | G475 S476 V482 Y483 Y484 D488 | K473-G475 PolarHBondContact O-N 3.39Å; K473-S476 PolarHBondContact O-N 3.09Å; K473-S476 PolarHBondContact O-OG 3.2Å; K473-S476 VanDerWaalsContact O-OG 3.13Å; K473-V482 WeakPolarHBondContact CB-O 3.48Å; K473-V482 HydrophobicContact CD-CG1 3.88Å; K473-V482 HydrophobicContact CG-CG1 4.49Å; K473-V482 WeakPolarHBondContact CG-O 3.4Å; K473-V482 PolarHBondContact N-O 2.97Å; K473-Y483 WeakPolarHBondContact CE-O 3.27Å; K473-Y484 HydrophobicContact CG-CD1 4.06Å; K473-Y484 HydrophobicContact CG-CD2 4.35Å; K473-Y484 HydrophobicContact CG-CE1 4.05Å; K473-Y484 HydrophobicContact CG-CE2 4.34Å; K473-Y484 HydrophobicContact CG-CG 4.23Å; K473-D488 VanDerWaalsContact CE-CG 3.46Å; K473-D488 WeakPolarHBondContact CE-OD2 3.45Å; K473-D488 IonicContact NZ-OD1 3.41Å; K473-D488 PolarHBondContact NZ-OD1 2.89Å; K473-D488 IonicContact NZ-OD2 3.25Å; K473-D488 PolarHBondContact NZ-OD2 2.84Å |
| 474 | P | 83.2 | Confident | 86.5 | Confident | 79 Ų | 79 | 66.9 Ų | 66.9 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 125.5 | 172.7 | 26.1 | -33.6 | 0 | 0 | 0 | 109.7 | Y484 E496 | P474-Y484 WeakPolarHBondContact CD-OH 3.27Å; P474-E496 WeakPolarHBondContact CB-OE2 3.15Å; P474-E496 HydrophobicContact CG-CB 4.28Å |
| 475 | G | 76.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 63 Ų | 63 | 89% | 0.887 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | -1.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | K473 | K473-G475 PolarHBondContact O-N 3.39Š|
| 476 | S | 81.4 | Confident | 86.2 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | trans | -75 | 136.5 | 170.3 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | K473 | K473-S476 PolarHBondContact O-N 3.09Å; K473-S476 PolarHBondContact O-OG 3.2Å; K473-S476 VanDerWaalsContact O-OG 3.13Å | ||
| 477 | T | 79.9 | Confident | 85.8 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | B | Isolated β-bridge | trans | -74.1 | 152.4 | 171.1 | 36.9 | 0 | 0 | 0 | 0 | 111.1 | D479 N480 | T477-D479 PolarHBondContact O-N 2.8Å; T477-N480 CarbonylContact O-C 3.57Å; T477-N480 PolarHBondContact O-N 3.15Å; T477-N480 VanDerWaalsContact O-N 3.09Å |
| 478 | V | 77.5 | Confident | 85.4 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.2 | 179.1 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | Y383 L389 | Y383-V478 HydrophobicContact CD1-CG1 3.71Å; Y383-V478 HydrophobicContact CE1-CG1 4.24Å; L389-V478 WeakPolarHBondContact CD1-O 3.46Å |
| 479 | D | 75.1 | Confident | 85.2 | Confident | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19.8 | 179.2 | -59.9 | -47 | 0 | 0 | 0 | 114 | Y383 T477 | Y383-D479 VanDerWaalsContact CB-OD1 3.24Å; Y383-D479 WeakPolarHBondContact CB-OD1 3.46Å; Y383-D479 PolarHBondContact N-OD1 2.77Å; T477-D479 PolarHBondContact O-N 2.8Å |
| 480 | N | 81.9 | Confident | 84.9 | Confident | 114 Ų | 114 | 54.4 Ų | 54.4 | 61% | 0.61 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -140.2 | 71.8 | 178.5 | -167.3 | 14.3 | 0 | 0 | 0 | 110.4 | T477 V482 | T477-N480 CarbonylContact O-C 3.57Å; T477-N480 PolarHBondContact O-N 3.15Å; T477-N480 VanDerWaalsContact O-N 3.09Å; N480-V482 PolarHBondContact O-N 3.41Å |
| 481 | P | 84.1 | Confident | 84.7 | Confident | 26 Ų | 26 | 52 Ų | 52 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | trans | -70.2 | 125.7 | -177 | 28.4 | -33.6 | 0 | 0 | 0 | 110.2 | L389 Y483 | L389-P481 HydrophobicContact CD1-CG 4.3Å; P481-Y483 HydrophobicContact CB-CE1 4.14Å; P481-Y483 HydrophobicContact CB-CE2 4.19Å; P481-Y483 HydrophobicContact CG-CE2 4.06Å | ||
| 482 | V | 88.8 | Confident | 84.3 | Confident | 70 Ų | 70 | 54.2 Ų | 54.2 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | trans | -101.9 | 110.7 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | K473 N480 | K473-V482 WeakPolarHBondContact CB-O 3.48Å; K473-V482 HydrophobicContact CD-CG1 3.88Å; K473-V482 HydrophobicContact CG-CG1 4.49Å; K473-V482 WeakPolarHBondContact CG-O 3.4Å; K473-V482 PolarHBondContact N-O 2.97Å; N480-V482 PolarHBondContact O-N 3.41Å | ||
| 483 | Y | 90.5 | Very high | 84.2 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -85 | 156.5 | -177.5 | -59.1 | -70 | 0 | 0 | 0 | 112.8 | Q470 V471 A472 K473 P481 | Q470-Y483 HydrophobicContact CB-CD1 3.84Å; Q470-Y483 HydrophobicContact CB-CE1 3.8Å; V471-Y483 WeakPolarHBondContact O-CA 3.33Å; A472-Y483 HydrophobicContact CB-CD1 4.29Å; A472-Y483 HydrophobicContact CB-CE1 4.4Å; K473-Y483 WeakPolarHBondContact CE-O 3.27Å; P481-Y483 HydrophobicContact CB-CE1 4.14Å; P481-Y483 HydrophobicContact CB-CE2 4.19Å; P481-Y483 HydrophobicContact CG-CE2 4.06Å |
| 484 | Y | 90.6 | Very high | 84.2 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -66.3 | 136.1 | 172.5 | -75 | -80.5 | 0 | 0 | 0 | 111.8 | Y441 V471 A472 K473 P474 D488 V495 E496 | Y441-Y484 WeakPolarHBondContact CE2-O 3.33Å; Y441-Y484 PolarHBondContact OH-O 3.5Å; V471-Y484 HydrophobicContact CB-CD2 3.98Å; V471-Y484 HydrophobicContact CB-CE2 4.45Å; V471-Y484 HydrophobicContact CG1-CD2 3.78Å; V471-Y484 HydrophobicContact CG1-CE2 3.74Å; V471-Y484 WeakPolarHBondContact O-CD2 3.44Å; V471-Y484 PolarHBondContact O-N 3.48Å; V471-Y484 VanDerWaalsContact O-N 3.11Å; A472-Y484 WeakPolarHBondContact O-CE2 3.32Å; K473-Y484 HydrophobicContact CG-CD1 4.06Å; K473-Y484 HydrophobicContact CG-CD2 4.35Å; K473-Y484 HydrophobicContact CG-CE1 4.05Å; K473-Y484 HydrophobicContact CG-CE2 4.34Å; K473-Y484 HydrophobicContact CG-CG 4.23Å; P474-Y484 WeakPolarHBondContact CD-OH 3.27Å; Y484-D488 HydrophobicContact CD1-CB 4.04Å; Y484-V495 HydrophobicContact CD1-CG1 4.38Å; Y484-V495 HydrophobicContact CD2-CG1 4.43Å; Y484-V495 HydrophobicContact CE1-CG1 4.05Å; Y484-V495 HydrophobicContact CE2-CG1 4.1Å; Y484-E496 VanDerWaalsContact CE2-O 3.31Å; Y484-E496 WeakPolarHBondContact CE2-O 3.28Å; Y484-E496 PolarHBondContact OH-N 3.35Å; Y484-E496 PolarHBondContact OH-O 3.34Å; Y484-E496 VanDerWaalsContact OH-O 3.1Å | ||
| 485 | T | 88.9 | Confident | 84.6 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | trans | -115.3 | 164.7 | 176.1 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | A487 D488 | T485-A487 PolarHBondContact O-N 2.8Å; T485-A487 VanDerWaalsContact O-N 3.1Å; T485-D488 PolarHBondContact N-OD2 2.74Å; T485-D488 WeakPolarHBondContact O-CB 3.37Å; T485-D488 PolarHBondContact O-N 2.84Å; T485-D488 PolarHBondContact OG1-OD2 2.95Å | ||
| 486 | P | 86.1 | Confident | 85.2 | Confident | 23 Ų | 23 | 50 Ų | 50 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -57.2 | -25.1 | 175.4 | -25.8 | 36.4 | 0 | 0 | 0 | 113.8 | L419 Y441 L443 D488 L489 L515 | L419-P486 HydrophobicContact CD1-CB 3.99Å; L419-P486 HydrophobicContact CD1-CG 4.28Å; Y441-P486 HydrophobicContact CD1-CG 4.1Å; Y441-P486 HydrophobicContact CE1-CG 3.61Å; L443-P486 HydrophobicContact CD2-CG 4.16Å; P486-D488 VanDerWaalsContact C-N 3.28Å; P486-D488 PolarHBondContact O-N 3.47Å; P486-L489 PolarHBondContact O-N 2.81Å; P486-L515 HydrophobicContact CB-CD2 4.14Å |
| 487 | A | 85.2 | Confident | 85.7 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -65.4 | -30.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | T485 P523 T526 | T485-A487 PolarHBondContact O-N 2.8Å; T485-A487 VanDerWaalsContact O-N 3.1Å; A487-P523 HydrophobicContact CB-CG 4.36Å; A487-T526 PolarHBondContact O-OG1 2.69Å |
| 488 | D | 84.8 | Confident | 86 | Confident | 52 Ų | 52 | 50 Ų | 50 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -83.3 | -13.9 | -177.2 | -55.6 | -63.9 | 0 | 0 | 0 | 112.9 | K473 Y484 T485 P486 V490 | K473-D488 VanDerWaalsContact CE-CG 3.46Å; K473-D488 WeakPolarHBondContact CE-OD2 3.45Å; K473-D488 IonicContact NZ-OD1 3.41Å; K473-D488 PolarHBondContact NZ-OD1 2.89Å; K473-D488 IonicContact NZ-OD2 3.25Å; K473-D488 PolarHBondContact NZ-OD2 2.84Å; Y484-D488 HydrophobicContact CD1-CB 4.04Å; T485-D488 PolarHBondContact N-OD2 2.74Å; T485-D488 WeakPolarHBondContact O-CB 3.37Å; T485-D488 PolarHBondContact O-N 2.84Å; T485-D488 PolarHBondContact OG1-OD2 2.95Å; P486-D488 VanDerWaalsContact C-N 3.28Å; P486-D488 PolarHBondContact O-N 3.47Å; D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 3.17Å; D488-V490 VanDerWaalsContact O-N 3.09Å |
| 489 | L | 85.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -88.7 | 65.7 | -174.9 | -61 | 177.3 | 0 | 0 | 0 | 111.4 | Y421 L439 Y441 P486 V495 L504 | Y421-L489 HydrophobicContact CD2-CD1 4.33Å; Y421-L489 HydrophobicContact CE1-CB 4.34Å; Y421-L489 HydrophobicContact CE2-CB 4.16Å; Y421-L489 HydrophobicContact CE2-CD1 3.65Å; L439-L489 HydrophobicContact CD2-CD1 4.42Å; Y441-L489 HydrophobicContact CD2-CD1 3.86Å; Y441-L489 HydrophobicContact CG-CD1 4.11Å; P486-L489 PolarHBondContact O-N 2.81Å; L489-V495 HydrophobicContact CD2-CG2 3.72Å; L489-L504 HydrophobicContact CB-CD1 4.01Å; L489-L504 HydrophobicContact CD2-CD1 4.15Å | ||
| 490 | V | 85 | Confident | 87.2 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | trans | -82.7 | 141.9 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 111 | D488 G492 A493 T526 | D488-V490 VanDerWaalsContact C-N 3.32Å; D488-V490 PolarHBondContact O-N 3.17Å; D488-V490 VanDerWaalsContact O-N 3.09Å; V490-G492 PolarHBondContact O-N 3.37Å; V490-A493 HydrophobicContact CB-CB 4Å; V490-A493 WeakPolarHBondContact O-CB 3.4Å; V490-A493 PolarHBondContact O-N 3.05Å; V490-T526 HydrophobicContact CB-CG2 4.48Å; V490-T526 HydrophobicContact CG2-CG2 3.93Å; V490-T526 VanDerWaalsContact CG2-OG1 3.31Å; V490-T526 WeakPolarHBondContact CG2-OG1 3.34Å | ||
| 491 | I | 85 | Confident | 87.6 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 130.1 | 172.5 | -59.4 | 175.2 | 0 | 0 | 0 | 109.4 | I505 A507 S529 L530 T533 | I491-I505 WeakPolarHBondContact CG2-O 3.28Å; I491-A507 HydrophobicContact CD1-CB 3.93Å; I491-A507 HydrophobicContact CG1-CB 4.44Å; I491-S529 PolarHBondContact O-OG 3.33Å; I491-L530 HydrophobicContact CD1-CB 4.47Å; I491-L530 HydrophobicContact CD1-CD2 3.44Å; I491-L530 VanDerWaalsContact CD1-CD2 3.44Å; I491-L530 HydrophobicContact CD1-CG 3.81Å; I491-L530 HydrophobicContact CG1-CD2 4.04Å; I491-L530 HydrophobicContact CG1-CG 4.18Å; I491-T533 HydrophobicContact CD1-CG2 4.42Å; I491-T533 WeakPolarHBondContact CD1-OG1 3.27Å; I491-T533 HydrophobicContact CG2-CG2 3.95Å |
| 492 | G | 82.1 | Confident | 88 | Confident | 52 Ų | 52 | 49 Ų | 49 | 54% | 0.536 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -12.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V490 L504 | V490-G492 PolarHBondContact O-N 3.37Å; G492-L504 WeakPolarHBondContact CA-O 3.45Å; G492-L504 PolarHBondContact N-O 3.25Å |
| 493 | A | 86.6 | Confident | 88.1 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | trans | -75.9 | 151.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V490 I503 L504 | V490-A493 HydrophobicContact CB-CB 4Å; V490-A493 WeakPolarHBondContact O-CB 3.4Å; V490-A493 PolarHBondContact O-N 3.05Å; A493-I503 WeakPolarHBondContact O-CA 3.19Å; A493-L504 PolarHBondContact O-N 2.99Å | ||
| 494 | T | 89.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 44% | 0.442 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.9 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | R501 F502 | T494-R501 HydrophobicContact CG2-CB 3.72Å; T494-R501 HydrophobicContact CG2-CG 4.18Å; T494-F502 CarbonylContact C-O 3.5Å; T494-F502 WeakPolarHBondContact CA-O 3.41Å |
| 495 | V | 91.1 | Very high | 88 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.8 | 174 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | L439 Y484 L489 V497 F502 L504 | L439-V495 HydrophobicContact CD1-CG1 4.37Å; Y484-V495 HydrophobicContact CD1-CG1 4.38Å; Y484-V495 HydrophobicContact CD2-CG1 4.43Å; Y484-V495 HydrophobicContact CE1-CG1 4.05Å; Y484-V495 HydrophobicContact CE2-CG1 4.1Å; L489-V495 HydrophobicContact CD2-CG2 3.72Å; V495-V497 HydrophobicContact CG1-CG2 3.81Å; V495-F502 PolarHBondContact N-O 3.28Å; V495-F502 PolarHBondContact O-N 2.98Å; V495-L504 HydrophobicContact CG2-CD1 4.02Å; V495-L504 HydrophobicContact CG2-CD2 4.32Å; V495-L504 HydrophobicContact CG2-CG 4.06Å |
| 496 | E | 90.8 | Very high | 88 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.1 | 175.5 | -169.8 | 175.8 | 164.2 | 0 | 0 | 110.6 | P474 Y484 H500 R501 | P474-E496 WeakPolarHBondContact CB-OE2 3.15Å; P474-E496 HydrophobicContact CG-CB 4.28Å; Y484-E496 VanDerWaalsContact CE2-O 3.31Å; Y484-E496 WeakPolarHBondContact CE2-O 3.28Å; Y484-E496 PolarHBondContact OH-N 3.35Å; Y484-E496 PolarHBondContact OH-O 3.34Å; Y484-E496 VanDerWaalsContact OH-O 3.1Å; E496-H500 WeakPolarHBondContact CA-O 3.21Å; E496-R501 HydrophobicContact CG-CG 4.31Å |
| 497 | V | 90.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 108 | -175.8 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | I450 L466 V471 V495 S499 H500 F502 | I450-V497 HydrophobicContact CD1-CB 4.34Å; I450-V497 HydrophobicContact CD1-CG1 4.1Å; I450-V497 HydrophobicContact CD1-CG2 4.11Å; L466-V497 HydrophobicContact CD2-CG1 3.71Å; V471-V497 HydrophobicContact CG1-CB 4.26Å; V471-V497 HydrophobicContact CG1-CG1 4.04Å; V471-V497 HydrophobicContact CG1-CG2 4.12Å; V471-V497 HydrophobicContact CG2-CG1 4Å; V495-V497 HydrophobicContact CG1-CG2 3.81Å; V497-S499 VanDerWaalsContact C-N 3.33Å; V497-S499 PolarHBondContact O-N 2.72Å; V497-H500 PolarHBondContact N-O 3.33Å; V497-H500 WeakPolarHBondContact O-CB 3.5Å; V497-H500 PolarHBondContact O-N 2.79Å; V497-F502 HydrophobicContact CB-CD2 4.18Å; V497-F502 HydrophobicContact CB-CE2 4.13Å; V497-F502 HydrophobicContact CG2-CD2 4.02Å; V497-F502 HydrophobicContact CG2-CE2 4.4Å |
| 498 | F | 87.2 | Confident | 88.3 | Confident | 125 Ų | 125 | 46.2 Ų | 46.2 | 55% | 0.548 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 52.6 | -178.5 | -58 | -67.2 | 0 | 0 | 0 | 113.2 | L466 H500 | L466-F498 HydrophobicContact CD1-CD2 3.75Å; L466-F498 HydrophobicContact CD1-CE2 3.65Å; L466-F498 HydrophobicContact CD2-CE2 4.41Å; F498-H500 PolarHBondContact O-CD2 2.78Å; F498-H500 PolarHBondContact O-N 3.22Å; F498-H500 VanDerWaalsContact O-N 3.16Å |
| 499 | S | 86.6 | Confident | 88.3 | Confident | 107 Ų | 107 | 48.1 Ų | 48.1 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 3 | -178.3 | -46.8 | 0 | 0 | 0 | 0 | 116 | V497 | V497-S499 VanDerWaalsContact C-N 3.33Å; V497-S499 PolarHBondContact O-N 2.72Å |
| 500 | H | 89.4 | Confident | 88.4 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 40% | 0.403 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.1 | 169.7 | -64.4 | -77.2 | 0 | 0 | 0 | 110.5 | L425 E496 V497 F498 F502 | L425-H500 HydrophobicContact CD1-CB 4Å; E496-H500 WeakPolarHBondContact CA-O 3.21Å; V497-H500 PolarHBondContact N-O 3.33Å; V497-H500 WeakPolarHBondContact O-CB 3.5Å; V497-H500 PolarHBondContact O-N 2.79Å; F498-H500 PolarHBondContact O-CD2 2.78Å; F498-H500 PolarHBondContact O-N 3.22Å; F498-H500 VanDerWaalsContact O-N 3.16Å; H500-F502 HydrophobicContact CB-CD2 4.41Å; H500-F502 HydrophobicContact CB-CE2 3.67Å; H500-F502 HydrophobicContact CB-CZ 4.17Å |
| 501 | R | 91.7 | Very high | 88.5 | Confident | 115 Ų | 115 | 50.6 Ų | 50.6 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 117.7 | -177.9 | -65.8 | -177.2 | -56.8 | 150.6 | 14.5 | 110.1 | D426 T494 E496 | D426-R501 HydrophobicContact CB-CB 4.14Å; D426-R501 PolarHBondContact N-O 3.29Å; D426-R501 IonicContact OD1-NH2 2.74Å; D426-R501 IonicContact OD2-CZ 2.96Å; D426-R501 IonicContact OD2-NE 3.69Å; D426-R501 IonicContact OD2-NH1 2.66Å; D426-R501 PolarHBondContact OD2-NH1 2.97Å; D426-R501 IonicContact OD2-NH2 2.86Å; D426-R501 PolarHBondContact OD2-NH2 3.42Å; T494-R501 HydrophobicContact CG2-CB 3.72Å; T494-R501 HydrophobicContact CG2-CG 4.18Å; E496-R501 HydrophobicContact CG-CG 4.31Å |
| 502 | F | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.3 | 179.4 | -68 | -84.1 | 0 | 0 | 0 | 110.4 | A423 K424 L425 F437 I450 F465 T494 V495 V497 H500 | A423-F502 HydrophobicContact CB-CB 4.22Å; A423-F502 HydrophobicContact CB-CD1 4.47Å; K424-F502 CarbonylContact O-C 3.51Å; K424-F502 WeakPolarHBondContact O-CA 3.36Å; L425-F502 HydrophobicContact CB-CD1 4.5Å; L425-F502 HydrophobicContact CB-CE1 4.32Å; L425-F502 HydrophobicContact CD1-CD1 4.12Å; L425-F502 HydrophobicContact CD1-CE1 3.73Å; L425-F502 HydrophobicContact CD1-CE2 4.32Å; L425-F502 HydrophobicContact CD1-CZ 3.84Å; F437-F502 HydrophobicContact CB-CD1 4.44Å; F437-F502 HydrophobicContact CB-CE1 4.3Å; F437-F502 HydrophobicContact CD1-CE1 4.1Å; F437-F502 HydrophobicContact CD2-CD1 4.13Å; F437-F502 AromaticContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CD2-CE1 3.78Å; F437-F502 HydrophobicContact CE1-CE1 4.38Å; F437-F502 HydrophobicContact CE2-CE1 4.1Å; F437-F502 HydrophobicContact CG-CD1 4.27Å; F437-F502 AromaticContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CG-CE1 3.78Å; F437-F502 HydrophobicContact CZ-CE1 4.38Å; I450-F502 HydrophobicContact CD1-CD2 4.04Å; I450-F502 HydrophobicContact CD1-CE2 3.72Å; I450-F502 HydrophobicContact CD1-CZ 4.05Å; I450-F502 HydrophobicContact CG2-CE1 4.39Å; I450-F502 HydrophobicContact CG2-CZ 4.46Å; F465-F502 AromaticContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CD1-CZ 3.94Å; F465-F502 HydrophobicContact CE1-CE2 4.2Å; F465-F502 AromaticContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CE1-CZ 3.59Å; F465-F502 HydrophobicContact CZ-CZ 4.1Å; T494-F502 CarbonylContact C-O 3.5Å; T494-F502 WeakPolarHBondContact CA-O 3.41Å; V495-F502 PolarHBondContact N-O 3.28Å; V495-F502 PolarHBondContact O-N 2.98Å; V497-F502 HydrophobicContact CB-CD2 4.18Å; V497-F502 HydrophobicContact CB-CE2 4.13Å; V497-F502 HydrophobicContact CG2-CD2 4.02Å; V497-F502 HydrophobicContact CG2-CE2 4.4Å; H500-F502 HydrophobicContact CB-CD2 4.41Å; H500-F502 HydrophobicContact CB-CE2 3.67Å; H500-F502 HydrophobicContact CB-CZ 4.17Å |
| 503 | I | 91.6 | Very high | 88.6 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.1 | 175.2 | -60.1 | 165.9 | 0 | 0 | 0 | 108.2 | A423 K424 D426 A493 I505 | A423-I503 CarbonylContact C-O 3.57Å; A423-I503 VanDerWaalsContact CA-O 3.23Å; A423-I503 WeakPolarHBondContact CA-O 3.45Å; K424-I503 HydrophobicContact CG-CB 3.93Å; K424-I503 PolarHBondContact N-O 3.07Å; K424-I503 PolarHBondContact O-N 3.37Å; D426-I503 HydrophobicContact CB-CD1 3.81Å; D426-I503 HydrophobicContact CB-CG1 4.18Å; A493-I503 WeakPolarHBondContact O-CA 3.19Å; I503-I505 PolarHBondContact O-N 2.77Å |
| 504 | L | 91.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.1 | 176 | -58.4 | -175.5 | 0 | 0 | 0 | 109.4 | Y421 A423 L439 L489 G492 A493 V495 | Y421-L504 HydrophobicContact CD1-CD1 4.3Å; Y421-L504 HydrophobicContact CG-CD1 4.48Å; A423-L504 HydrophobicContact CB-CD2 3.95Å; L439-L504 HydrophobicContact CD1-CD2 4.31Å; L489-L504 HydrophobicContact CB-CD1 4.01Å; L489-L504 HydrophobicContact CD2-CD1 4.15Å; G492-L504 WeakPolarHBondContact CA-O 3.45Å; G492-L504 PolarHBondContact N-O 3.25Å; A493-L504 PolarHBondContact O-N 2.99Å; V495-L504 HydrophobicContact CG2-CD1 4.02Å; V495-L504 HydrophobicContact CG2-CD2 4.32Å; V495-L504 HydrophobicContact CG2-CG 4.06Å |
| 505 | I | 88.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 33% | 0.328 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -43.4 | -179.5 | -60.9 | 162.9 | 0 | 0 | 0 | 110.6 | V422 K424 I491 I503 | V422-I505 PolarHBondContact O-N 3.1Å; K424-I505 HydrophobicContact CB-CD1 3.59Å; K424-I505 HydrophobicContact CB-CG1 4.36Å; K424-I505 HydrophobicContact CD-CD1 3.94Å; K424-I505 HydrophobicContact CD-CG1 4.18Å; K424-I505 HydrophobicContact CG-CD1 3.63Å; K424-I505 HydrophobicContact CG-CG1 3.89Å; I491-I505 WeakPolarHBondContact CG2-O 3.28Å; I503-I505 PolarHBondContact O-N 2.77Å |
| 506 | N | 88 | Confident | 88 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 167.6 | -173.7 | -165.2 | 12.4 | 0 | 0 | 0 | 111.4 | Y421 V422 E537 | Y421-N506 CarbonylContact C-O 3.57Å; Y421-N506 WeakPolarHBondContact CA-O 3.49Å; V422-N506 HydrophobicContact CB-CB 4.22Å; V422-N506 PolarHBondContact N-O 2.77Å; V422-N506 PolarHBondContact O-N 3.1Å; N506-E537 PolarHBondContact ND2-OE1 3.23Å; N506-E537 PolarHBondContact ND2-OE2 3.3Å |
| 507 | A | 88.8 | Confident | 87.7 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y421 I491 V511 L530 | Y421-A507 HydrophobicContact CD1-CB 3.55Å; Y421-A507 HydrophobicContact CE1-CB 3.78Å; I491-A507 HydrophobicContact CD1-CB 3.93Å; I491-A507 HydrophobicContact CG1-CB 4.44Å; A507-V511 HydrophobicContact CB-CB 4.18Å; A507-V511 HydrophobicContact CB-CG1 4.24Å; A507-V511 HydrophobicContact CB-CG2 4.42Å; A507-L530 HydrophobicContact CB-CD2 3.42Å; A507-L530 VanDerWaalsContact CB-CD2 3.42Å |
| 508 | D | 88.5 | Confident | 87.3 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | trans | -71.1 | 152.7 | 176.4 | -162.7 | -2.7 | 0 | 0 | 0 | 111.6 | R420 Y510 V511 | R420-D508 HydrophobicContact CB-CB 4.07Å; R420-D508 PolarHBondContact O-N 3.13Å; D508-Y510 PolarHBondContact O-N 3.25Å; D508-Y510 VanDerWaalsContact O-N 3.12Å; D508-V511 HydrophobicContact CB-CG2 4.19Å; D508-V511 VanDerWaalsContact O-CB 3.26Å; D508-V511 WeakPolarHBondContact O-CB 3.48Å; D508-V511 PolarHBondContact O-N 3.26Å | ||
| 509 | L | 85.8 | Confident | 86.7 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 48% | 0.482 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58 | -31.1 | -179.9 | -72.4 | 170 | 0 | 0 | 0 | 112.5 | V511 L512 K513 V534 | L509-V511 VanDerWaalsContact C-N 3.28Å; L509-V511 PolarHBondContact O-N 3.34Å; L509-L512 PolarHBondContact O-N 3.27Å; L509-K513 PolarHBondContact O-N 3.36Å; L509-V534 HydrophobicContact CD2-CG1 3.38Å |
| 510 | Y | 86.9 | Confident | 86.2 | Confident | 88 Ų | 88 | 59 Ų | 59 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -34 | 175.9 | 179.5 | -104.4 | 0 | 0 | 0 | 112.5 | K417 L419 D508 K513 Y514 | K417-Y510 WeakPolarHBondContact CD-OH 3.2Å; K417-Y510 WeakPolarHBondContact CG-OH 3.5Å; L419-Y510 HydrophobicContact CD2-CD1 4.31Å; L419-Y510 HydrophobicContact CD2-CE1 4.19Å; D508-Y510 PolarHBondContact O-N 3.25Å; D508-Y510 VanDerWaalsContact O-N 3.12Å; Y510-K513 PolarHBondContact O-N 3.35Å; Y510-Y514 WeakPolarHBondContact O-CB 3.24Å; Y510-Y514 PolarHBondContact O-N 2.8Å |
| 511 | V | 85.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | L419 R420 Y421 A507 D508 L509 Y514 L515 L530 | L419-V511 HydrophobicContact CB-CG1 4.45Å; L419-V511 HydrophobicContact CB-CG2 3.82Å; L419-V511 HydrophobicContact CD2-CB 4.4Å; L419-V511 HydrophobicContact CD2-CG1 4.4Å; L419-V511 HydrophobicContact CD2-CG2 4.15Å; R420-V511 WeakPolarHBondContact O-CG2 3.13Å; Y421-V511 HydrophobicContact CE1-CG1 3.66Å; Y421-V511 HydrophobicContact CE2-CG1 4.37Å; Y421-V511 VanDerWaalsContact CZ-CG1 3.49Å; Y421-V511 WeakPolarHBondContact OH-CG1 3.31Å; A507-V511 HydrophobicContact CB-CB 4.18Å; A507-V511 HydrophobicContact CB-CG1 4.24Å; A507-V511 HydrophobicContact CB-CG2 4.42Å; D508-V511 HydrophobicContact CB-CG2 4.19Å; D508-V511 VanDerWaalsContact O-CB 3.26Å; D508-V511 WeakPolarHBondContact O-CB 3.48Å; D508-V511 PolarHBondContact O-N 3.26Å; L509-V511 VanDerWaalsContact C-N 3.28Å; L509-V511 PolarHBondContact O-N 3.34Å; V511-Y514 PolarHBondContact O-N 2.81Å; V511-L515 HydrophobicContact CG1-CD1 3.72Å; V511-L515 HydrophobicContact CG1-CG 4.38Å; V511-L515 WeakPolarHBondContact O-CG 3.34Å; V511-L515 PolarHBondContact O-N 2.72Å; V511-L530 HydrophobicContact CG1-CD2 4.25Å |
| 512 | L | 84 | Confident | 84.7 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 178.7 | -175.8 | 145.4 | 0 | 0 | 0 | 111.2 | L509 Y514 L515 E516 L530 K531 V534 | L509-L512 PolarHBondContact O-N 3.27Å; L512-Y514 VanDerWaalsContact C-N 3.31Å; L512-Y514 PolarHBondContact O-N 2.94Å; L512-L515 PolarHBondContact O-N 2.9Å; L512-E516 HydrophobicContact CD2-CG 4.3Å; L512-E516 WeakPolarHBondContact O-CB 3.26Å; L512-E516 WeakPolarHBondContact O-CG 3.47Å; L512-E516 PolarHBondContact O-N 3.08Å; L512-L530 HydrophobicContact CD1-CB 4.33Å; L512-K531 HydrophobicContact CD1-CG 4.16Å; L512-V534 HydrophobicContact CD1-CB 3.91Å; L512-V534 HydrophobicContact CD1-CG1 4.11Å; L512-V534 HydrophobicContact CD1-CG2 4.14Å |
| 513 | K | 86 | Confident | 84.1 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.5 | -40.8 | 176.7 | -69.6 | -178.3 | 179.6 | -178.3 | 0 | 112.8 | L509 Y510 S517 | L509-K513 PolarHBondContact O-N 3.36Å; Y510-K513 PolarHBondContact O-N 3.35Å; K513-S517 WeakPolarHBondContact O-CB 3.3Å; K513-S517 PolarHBondContact O-N 3.06Å; K513-S517 VanDerWaalsContact O-N 3.09Å; K513-S517 PolarHBondContact O-OG 2.86Å |
| 514 | Y | 85.7 | Confident | 83.1 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 180 | 178.6 | -93 | 0 | 0 | 0 | 112.1 | L419 L443 Y510 V511 L512 S517 N518 | L419-Y514 HydrophobicContact CD1-CD1 4.04Å; L419-Y514 HydrophobicContact CD1-CE1 4.25Å; L419-Y514 HydrophobicContact CD2-CD1 3.68Å; L419-Y514 HydrophobicContact CD2-CE1 4.43Å; L419-Y514 HydrophobicContact CD2-CG 3.82Å; L419-Y514 HydrophobicContact CG-CD1 4.42Å; L443-Y514 HydrophobicContact CD1-CD1 4.33Å; L443-Y514 HydrophobicContact CD1-CD2 3.9Å; L443-Y514 HydrophobicContact CD1-CE1 3.94Å; L443-Y514 HydrophobicContact CD1-CE2 3.45Å; L443-Y514 VanDerWaalsContact CD1-CE2 3.45Å; L443-Y514 HydrophobicContact CD1-CG 4.31Å; L443-Y514 VanDerWaalsContact CD1-CZ 3.48Å; L443-Y514 HydrophobicContact CD2-CE1 3.78Å; Y510-Y514 WeakPolarHBondContact O-CB 3.24Å; Y510-Y514 PolarHBondContact O-N 2.8Å; V511-Y514 PolarHBondContact O-N 2.81Å; L512-Y514 VanDerWaalsContact C-N 3.31Å; L512-Y514 PolarHBondContact O-N 2.94Å; Y514-S517 PolarHBondContact O-N 3.03Å; Y514-N518 WeakPolarHBondContact CE2-ND2 3.47Å; Y514-N518 VanDerWaalsContact CZ-ND2 3.26Å; Y514-N518 PolarHBondContact O-N 2.73Å; Y514-N518 PolarHBondContact O-ND2 3.45Å |
| 515 | L | 84.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.6 | -34.6 | 179.9 | -64.9 | 170.1 | 0 | 0 | 0 | 111.7 | P486 V511 L512 S517 N518 S519 V522 L527 L530 | P486-L515 HydrophobicContact CB-CD2 4.14Å; V511-L515 HydrophobicContact CG1-CD1 3.72Å; V511-L515 HydrophobicContact CG1-CG 4.38Å; V511-L515 WeakPolarHBondContact O-CG 3.34Å; V511-L515 PolarHBondContact O-N 2.72Å; L512-L515 PolarHBondContact O-N 2.9Å; L515-S517 VanDerWaalsContact C-N 3.32Å; L515-S517 PolarHBondContact O-N 2.76Å; L515-N518 CarbonylContact O-C 3.57Å; L515-N518 PolarHBondContact O-N 2.94Å; L515-N518 VanDerWaalsContact O-N 3.17Å; L515-S519 PolarHBondContact O-N 3.11Å; L515-S519 VanDerWaalsContact O-N 3.15Å; L515-V522 HydrophobicContact CD2-CG1 4.27Å; L515-V522 HydrophobicContact CD2-CG2 3.64Å; L515-L527 HydrophobicContact CB-CD2 3.55Å; L515-L530 HydrophobicContact CD1-CD1 3.22Å |
| 516 | E | 84 | Confident | 81.7 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 39% | 0.393 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 170.8 | -75 | -179.3 | 156 | 0 | 0 | 112.4 | L512 N518 K531 | L512-E516 HydrophobicContact CD2-CG 4.3Å; L512-E516 WeakPolarHBondContact O-CB 3.26Å; L512-E516 WeakPolarHBondContact O-CG 3.47Å; L512-E516 PolarHBondContact O-N 3.08Å; E516-N518 PolarHBondContact O-N 2.76Å; E516-K531 WeakPolarHBondContact OE1-CE 3.33Å; E516-K531 IonicContact OE1-NZ 2.87Å |
| 517 | S | 85.1 | Confident | 81 | Confident | 98 Ų | 98 | 67 Ų | 67 | 69% | 0.685 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70.3 | -19.6 | 176.5 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | K513 Y514 L515 | K513-S517 WeakPolarHBondContact O-CB 3.3Å; K513-S517 PolarHBondContact O-N 3.06Å; K513-S517 VanDerWaalsContact O-N 3.09Å; K513-S517 PolarHBondContact O-OG 2.86Å; Y514-S517 PolarHBondContact O-N 3.03Å; L515-S517 VanDerWaalsContact C-N 3.32Å; L515-S517 PolarHBondContact O-N 2.76Å |
| 518 | N | 82.6 | Confident | 80.4 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 41.1 | -180 | -62.6 | -64.1 | 0 | 0 | 0 | 111 | Y514 L515 E516 D520 Q521 | Y514-N518 WeakPolarHBondContact CE2-ND2 3.47Å; Y514-N518 VanDerWaalsContact CZ-ND2 3.26Å; Y514-N518 PolarHBondContact O-N 2.73Å; Y514-N518 PolarHBondContact O-ND2 3.45Å; L515-N518 CarbonylContact O-C 3.57Å; L515-N518 PolarHBondContact O-N 2.94Å; L515-N518 VanDerWaalsContact O-N 3.17Å; E516-N518 PolarHBondContact O-N 2.76Å; N518-D520 PolarHBondContact O-N 2.93Å; N518-D520 VanDerWaalsContact O-N 3.09Å; N518-Q521 PolarHBondContact O-N 2.84Å |
| 519 | S | 74.3 | Confident | 79.8 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 42% | 0.42 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -58.1 | -24.3 | -175.3 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | L515 Q521 | L515-S519 PolarHBondContact O-N 3.11Å; L515-S519 VanDerWaalsContact O-N 3.15Å; S519-Q521 VanDerWaalsContact C-N 3.35Å |
| 520 | D | 77.1 | Confident | 79.3 | Confident | 159 Ų | 159 | 65.4 Ų | 65.4 | 85% | 0.85 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -75 | -24.1 | -176 | -57.3 | -19.4 | 0 | 0 | 0 | 113.1 | N518 | N518-D520 PolarHBondContact O-N 2.93Å; N518-D520 VanDerWaalsContact O-N 3.09Å |
| 521 | Q | 72.4 | Confident | 78.7 | Confident | 160 Ų | 160 | 66.4 Ų | 66.4 | 75% | 0.748 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -100.5 | -2.4 | -175.8 | -64.2 | -177.9 | 4.5 | 0 | 0 | 113.1 | N518 S519 | N518-Q521 PolarHBondContact O-N 2.84Å; S519-Q521 VanDerWaalsContact C-N 3.35Å |
| 522 | V | 75.4 | Confident | 78.2 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -123.9 | 132.4 | -168.4 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | L515 T526 L527 | L515-V522 HydrophobicContact CD2-CG1 4.27Å; L515-V522 HydrophobicContact CD2-CG2 3.64Å; V522-T526 HydrophobicContact CG1-CG2 3.89Å; V522-L527 HydrophobicContact CG1-CD2 4.46Å; V522-L527 HydrophobicContact CG1-CG 4.2Å |
| 523 | P | 79.3 | Confident | 77.5 | Confident | 61 Ų | 61 | 74 Ų | 74 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | trans | -57.4 | 141.2 | 175.6 | -24.9 | 33.4 | 0 | 0 | 0 | 112.6 | A487 Q525 T526 L527 | A487-P523 HydrophobicContact CB-CG 4.36Å; P523-Q525 PolarHBondContact O-N 2.85Å; P523-T526 WeakPolarHBondContact O-CB 3.23Å; P523-T526 PolarHBondContact O-N 2.81Å; P523-L527 PolarHBondContact O-N 3.39Å | ||
| 524 | S | 72.2 | Confident | 76.5 | Confident | 77 Ų | 77 | 68 Ų | 68 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.6 | -35.6 | 179.3 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | T526 L527 E528 | S524-T526 VanDerWaalsContact C-N 3.29Å; S524-T526 PolarHBondContact O-N 2.82Å; S524-L527 PolarHBondContact O-N 3.46Å; S524-E528 WeakPolarHBondContact O-CG 3.38Å; S524-E528 PolarHBondContact O-N 3.13Å |
| 525 | Q | 74.9 | Confident | 75.3 | Confident | 149 Ų | 149 | 67.6 Ų | 67.6 | 70% | 0.696 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.5 | -38.3 | 176.1 | -64.9 | 179.5 | -10 | 0 | 0 | 112.8 | P523 S529 | P523-Q525 PolarHBondContact O-N 2.85Å; Q525-S529 WeakPolarHBondContact O-CB 3.43Å; Q525-S529 PolarHBondContact O-N 2.8Å; Q525-S529 VanDerWaalsContact O-N 3.17Å |
| 526 | T | 73.5 | Confident | 74 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 178.4 | -48.4 | 0 | 0 | 0 | 0 | 110.3 | A487 V490 V522 P523 S524 L530 | A487-T526 PolarHBondContact O-OG1 2.69Å; V490-T526 HydrophobicContact CB-CG2 4.48Å; V490-T526 HydrophobicContact CG2-CG2 3.93Å; V490-T526 VanDerWaalsContact CG2-OG1 3.31Å; V490-T526 WeakPolarHBondContact CG2-OG1 3.34Å; V522-T526 HydrophobicContact CG1-CG2 3.89Å; P523-T526 WeakPolarHBondContact O-CB 3.23Å; P523-T526 PolarHBondContact O-N 2.81Å; S524-T526 VanDerWaalsContact C-N 3.29Å; S524-T526 PolarHBondContact O-N 2.82Å; T526-L530 HydrophobicContact CG2-CD1 4.18Å; T526-L530 WeakPolarHBondContact O-CD1 3.38Å; T526-L530 PolarHBondContact O-N 3.38Å |
| 527 | L | 74.2 | Confident | 72.8 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.131 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | -179.8 | -68.5 | 173.2 | 0 | 0 | 0 | 112.9 | L515 V522 P523 S524 L530 K531 | L515-L527 HydrophobicContact CB-CD2 3.55Å; V522-L527 HydrophobicContact CG1-CD2 4.46Å; V522-L527 HydrophobicContact CG1-CG 4.2Å; P523-L527 PolarHBondContact O-N 3.39Å; S524-L527 PolarHBondContact O-N 3.46Å; L527-L530 PolarHBondContact O-N 3.3Å; L527-K531 WeakPolarHBondContact O-CG 3.4Å; L527-K531 PolarHBondContact O-N 3.16Å |
| 528 | E | 76.7 | Confident | 71.2 | Confident | 116 Ų | 116 | 74.4 Ų | 74.4 | 54% | 0.542 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 179.8 | -73.2 | 174.6 | -169.5 | 0 | 0 | 112.2 | S524 L530 K531 Q532 | S524-E528 WeakPolarHBondContact O-CG 3.38Å; S524-E528 PolarHBondContact O-N 3.13Å; E528-L530 VanDerWaalsContact C-N 3.31Å; E528-L530 PolarHBondContact O-N 3.07Å; E528-K531 PolarHBondContact O-N 3.31Å; E528-Q532 WeakPolarHBondContact O-CG 3.4Å; E528-Q532 PolarHBondContact O-N 3.37Å |
| 529 | S | 76 | Confident | 69.6 | Low | 25 Ų | 25 | 80.6 Ų | 80.6 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | I491 Q525 T533 | I491-S529 PolarHBondContact O-OG 3.33Å; Q525-S529 WeakPolarHBondContact O-CB 3.43Å; Q525-S529 PolarHBondContact O-N 2.8Å; Q525-S529 VanDerWaalsContact O-N 3.17Å; S529-T533 WeakPolarHBondContact O-CG2 3.44Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 2.95Å |
| 530 | L | 73.7 | Confident | 68.4 | Low | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 172.7 | -84 | 155.7 | 0 | 0 | 0 | 113.4 | I491 A507 V511 L512 L515 T526 L527 E528 T533 V534 | I491-L530 HydrophobicContact CD1-CB 4.47Å; I491-L530 HydrophobicContact CD1-CD2 3.44Å; I491-L530 VanDerWaalsContact CD1-CD2 3.44Å; I491-L530 HydrophobicContact CD1-CG 3.81Å; I491-L530 HydrophobicContact CG1-CD2 4.04Å; I491-L530 HydrophobicContact CG1-CG 4.18Å; A507-L530 HydrophobicContact CB-CD2 3.42Å; A507-L530 VanDerWaalsContact CB-CD2 3.42Å; V511-L530 HydrophobicContact CG1-CD2 4.25Å; L512-L530 HydrophobicContact CD1-CB 4.33Å; L515-L530 HydrophobicContact CD1-CD1 3.22Å; T526-L530 HydrophobicContact CG2-CD1 4.18Å; T526-L530 WeakPolarHBondContact O-CD1 3.38Å; T526-L530 PolarHBondContact O-N 3.38Å; L527-L530 PolarHBondContact O-N 3.3Å; E528-L530 VanDerWaalsContact C-N 3.31Å; E528-L530 PolarHBondContact O-N 3.07Å; L530-T533 PolarHBondContact O-OG1 2.95Å; L530-V534 VanDerWaalsContact O-CB 3.31Å; L530-V534 WeakPolarHBondContact O-CB 3.11Å; L530-V534 VanDerWaalsContact O-CG2 3.31Å; L530-V534 WeakPolarHBondContact O-CG2 3.42Å; L530-V534 PolarHBondContact O-N 3.27Å; L530-V534 VanDerWaalsContact O-N 3.12Å |
| 531 | K | 75.9 | Confident | 66.8 | Low | 109 Ų | 109 | 77.2 Ų | 77.2 | 47% | 0.474 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 178.6 | -76 | 176.5 | 176.9 | -176.2 | 0 | 112.6 | L512 E516 L527 E528 G535 | L512-K531 HydrophobicContact CD1-CG 4.16Å; E516-K531 WeakPolarHBondContact OE1-CE 3.33Å; E516-K531 IonicContact OE1-NZ 2.87Å; L527-K531 WeakPolarHBondContact O-CG 3.4Å; L527-K531 PolarHBondContact O-N 3.16Å; E528-K531 PolarHBondContact O-N 3.31Å; K531-G535 WeakPolarHBondContact O-CA 3.36Å; K531-G535 PolarHBondContact O-N 3.25Å |
| 532 | Q | 74.1 | Confident | 65 | Low | 146 Ų | 146 | 77.6 Ų | 77.6 | 68% | 0.682 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | -179.6 | -72.1 | 178.4 | -2.9 | 0 | 0 | 112.6 | E528 A536 | E528-Q532 WeakPolarHBondContact O-CG 3.4Å; E528-Q532 PolarHBondContact O-N 3.37Å; Q532-A536 WeakPolarHBondContact O-CB 3.23Å; Q532-A536 PolarHBondContact O-N 3.17Å; Q532-A536 VanDerWaalsContact O-N 3.1Å |
| 533 | T | 69.4 | Low | 63 | Low | 41 Ų | 41 | 82 Ų | 82 | 25% | 0.252 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.4 | -44.4 | -176.1 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | I491 S529 L530 A536 E537 | I491-T533 HydrophobicContact CD1-CG2 4.42Å; I491-T533 WeakPolarHBondContact CD1-OG1 3.27Å; I491-T533 HydrophobicContact CG2-CG2 3.95Å; S529-T533 WeakPolarHBondContact O-CG2 3.44Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 2.95Å; L530-T533 PolarHBondContact O-OG1 2.95Å; T533-A536 PolarHBondContact O-N 3.19Å; T533-E537 PolarHBondContact O-N 2.74Å |
| 534 | V | 66.1 | Low | 60.8 | Low | 10 Ų | 10 | 85.2 Ų | 85.2 | 6% | 0.061 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -72.8 | -31.7 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | L509 L512 L530 K538 | L509-V534 HydrophobicContact CD2-CG1 3.38Å; L512-V534 HydrophobicContact CD1-CB 3.91Å; L512-V534 HydrophobicContact CD1-CG1 4.11Å; L512-V534 HydrophobicContact CD1-CG2 4.14Å; L530-V534 VanDerWaalsContact O-CB 3.31Å; L530-V534 WeakPolarHBondContact O-CB 3.11Å; L530-V534 VanDerWaalsContact O-CG2 3.31Å; L530-V534 WeakPolarHBondContact O-CG2 3.42Å; L530-V534 PolarHBondContact O-N 3.27Å; L530-V534 VanDerWaalsContact O-N 3.12Å; V534-K538 PolarHBondContact O-N 2.71Å |
| 535 | G | 60.2 | Low | 58.7 | Low | 33 Ų | 33 | 90.6 Ų | 90.6 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K531 E537 K538 E539 | K531-G535 WeakPolarHBondContact O-CA 3.36Å; K531-G535 PolarHBondContact O-N 3.25Å; G535-E537 VanDerWaalsContact C-N 3.34Å; G535-E537 PolarHBondContact O-N 2.74Å; G535-K538 PolarHBondContact O-N 2.75Å; G535-E539 PolarHBondContact O-N 2.86Å |
| 536 | A | 57.9 | Low | 56.5 | Low | 53 Ų | 53 | 92.7 Ų | 92.7 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -29.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q532 T533 S540 | Q532-A536 WeakPolarHBondContact O-CB 3.23Å; Q532-A536 PolarHBondContact O-N 3.17Å; Q532-A536 VanDerWaalsContact O-N 3.1Å; T533-A536 PolarHBondContact O-N 3.19Å; A536-S540 PolarHBondContact O-N 3.11Å; A536-S540 PolarHBondContact O-OG 3.11Å |
| 537 | E | 56.8 | Low | 54.3 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.7 | -30.3 | 174.1 | -78.7 | -167.6 | 158.3 | 0 | 0 | 114 | N506 T533 G535 E539 S540 G541 | N506-E537 PolarHBondContact ND2-OE1 3.23Å; N506-E537 PolarHBondContact ND2-OE2 3.3Å; T533-E537 PolarHBondContact O-N 2.74Å; G535-E537 VanDerWaalsContact C-N 3.34Å; G535-E537 PolarHBondContact O-N 2.74Å; E537-E539 PolarHBondContact O-N 3.26Å; E537-S540 WeakPolarHBondContact CA-OG 3.42Å; E537-S540 PolarHBondContact O-N 3.29Å; E537-S540 PolarHBondContact O-OG 3.41Å; E537-G541 PolarHBondContact O-N 3.35Å |
| 538 | K | 53.4 | Low | 53.3 | Low | 167 Ų | 167 | 110.2 Ų | 110.2 | 73% | 0.726 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -30 | 171.4 | -91.3 | -178.5 | 174.2 | 178.7 | 0 | 112.5 | V534 G535 | V534-K538 PolarHBondContact O-N 2.71Å; G535-K538 PolarHBondContact O-N 2.75Å |
| 539 | E | 48.1 | Very low | 52.1 | Low | 179 Ų | 179 | 109.8 Ų | 109.8 | 84% | 0.836 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -83.5 | -20.1 | 176.9 | -69.5 | -178.3 | 167.4 | 0 | 0 | 113.2 | G535 E537 | G535-E539 PolarHBondContact O-N 2.86Å; E537-E539 PolarHBondContact O-N 3.26Å |
| 540 | S | 49.3 | Very low | 50.8 | Low | 82 Ų | 82 | 114.6 Ų | 114.6 | 57% | 0.573 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -100 | 0.6 | -175.9 | 67.8 | 0 | 0 | 0 | 0 | 116.2 | A536 E537 M542 | A536-S540 PolarHBondContact O-N 3.11Å; A536-S540 PolarHBondContact O-OG 3.11Å; E537-S540 WeakPolarHBondContact CA-OG 3.42Å; E537-S540 PolarHBondContact O-N 3.29Å; E537-S540 PolarHBondContact O-OG 3.41Å; S540-M542 PolarHBondContact O-N 3.45Å |
| 541 | G | 43.5 | Very low | 49.4 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 68% | 0.68 | 65% | 0.651 | S | S | * | * | trans | 42.5 | 68.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | E537 | E537-G541 PolarHBondContact O-N 3.35Š| ||
| 542 | M | 33.4 | Very low | 47.8 | Very low | 168 Ų | 168 | 122 Ų | 122 | 83% | 0.828 | 66% | 0.662 | S | S | * | * | trans | -123.3 | 113.3 | 159.1 | -82.4 | -172.2 | 61 | 0 | 0 | 110.2 | S540 V544 | S540-M542 PolarHBondContact O-N 3.45Å; M542-V544 PolarHBondContact O-N 2.74Å | ||
| 543 | A | 34.6 | Very low | 46 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 88% | 0.884 | 66% | 0.661 | S | S | * | * | trans | -60 | 114 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 544 | V | 32.8 | Very low | 44.3 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | trans | -102.5 | 112.7 | 164.5 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | M542 Q546 | M542-V544 PolarHBondContact O-N 2.74Å; V544-Q546 PolarHBondContact O-N 3.19Å | ||
| 545 | E | 28.5 | Very low | 42.7 | Very low | 191 Ų | 191 | 135 Ų | 135 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -52.3 | 124.3 | 174 | -76.4 | 178 | 138.9 | 0 | 0 | 110.8 | ||||
| 546 | Q | 28.2 | Very low | 41.2 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 127.6 | 167.3 | -68.6 | 178.5 | -12.3 | 0 | 0 | 109.4 | V544 | V544-Q546 PolarHBondContact O-N 3.19Š| ||
| 547 | K | 27.9 | Very low | 39.7 | Very low | 283 Ų | 283 | 151.7 Ų | 151.7 | 100% | 1.23 | 80% | 0.802 | S | S | * | * | trans | -131.8 | 0 | 151.2 | -102.8 | -172.7 | 178.5 | 178.2 | 0 | 109.8 |
Retrieved 547 of 547 residues in 186.4 ms
(Link to these results)