| 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 | 45.2 | Very low | 53.5 | Low | 240 Ų | 240 | 150.1 Ų | 150.1 | 100% | 1.182 | 84% | 0.837 | S | S | * | * | 0 | 113.9 | 0 | -68.6 | -177.8 | 170.2 | 0 | 0 | 104.7 | |||||
| 2 | S | 55.8 | Low | 53.8 | Low | 125 Ų | 125 | 149.9 Ų | 149.9 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -89.2 | 122.3 | 179 | -80.6 | 0 | 0 | 0 | 0 | 108.4 | N4 | S2-N4 PolarHBondContact O-N 2.99Š| ||
| 3 | D | 53.4 | Low | 53.5 | Low | 160 Ų | 160 | 153.2 Ų | 153.2 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -63.9 | 123 | 169.4 | -63.3 | -54.8 | 0 | 0 | 0 | 109.1 | ||||
| 4 | N | 60.5 | Low | 53 | Low | 151 Ų | 151 | 151.2 Ų | 151.2 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | trans | -105.9 | 97.8 | 174.3 | -179.1 | 96.1 | 0 | 0 | 0 | 107.7 | S2 G6 | S2-N4 PolarHBondContact O-N 2.99Å; N4-G6 PolarHBondContact O-N 2.87Å | ||
| 5 | E | 62.1 | Low | 53 | Low | 192 Ų | 192 | 150.7 Ų | 150.7 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -59.6 | 120.3 | 167.9 | -61.6 | -173.9 | 139.8 | 0 | 0 | 108.9 | ||||
| 6 | G | 50.3 | Low | 53.1 | Low | 65 Ų | 65 | 147.1 Ų | 147.1 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | -132.8 | 92 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N4 | N4-G6 PolarHBondContact O-N 2.87Š| ||
| 7 | D | 55 | Low | 53.2 | Low | 152 Ų | 152 | 148.6 Ų | 148.6 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | 63.4 | 106.5 | 141.5 | -129.4 | 36.4 | 0 | 0 | 0 | 118.8 | D9 | D7-D9 PolarHBondContact O-N 2.72Š| ||
| 8 | F | 54.3 | Low | 53.1 | Low | 208 Ų | 208 | 150.1 Ų | 150.1 | 91% | 0.912 | 82% | 0.815 | S | S | * | * | trans | -68.5 | 101.9 | 158.1 | -78.1 | -103.9 | 0 | 0 | 0 | 108.1 | D10 | F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.38Å | ||
| 9 | D | 51.1 | Low | 53 | Low | 150 Ų | 150 | 149.4 Ų | 149.4 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 86.5 | 165.9 | -167.4 | 30.8 | 0 | 0 | 0 | 108.2 | D7 G11 | D7-D9 PolarHBondContact O-N 2.72Å; D9-G11 PolarHBondContact O-N 2.72Å | ||
| 10 | D | 56 | Low | 52.9 | Low | 152 Ų | 152 | 151.8 Ų | 151.8 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -67.9 | 75.7 | 163.9 | -169.6 | 63.3 | 0 | 0 | 0 | 107.7 | F8 D12 | F8-D10 VanDerWaalsContact C-N 3.33Å; F8-D10 PolarHBondContact O-N 3.38Å; D10-D12 VanDerWaalsContact C-N 3.29Å; D10-D12 PolarHBondContact O-N 3.05Å | ||
| 11 | G | 45.4 | Very low | 52.6 | Low | 56 Ų | 56 | 147.2 Ų | 147.2 | 58% | 0.577 | 81% | 0.805 | S | S | * | * | trans | -75.3 | 83.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D9 F13 | D9-G11 PolarHBondContact O-N 2.72Å; G11-F13 PolarHBondContact O-N 3.27Å | ||
| 12 | D | 56.3 | Low | 52.9 | Low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -42.7 | 101.3 | 153.1 | -173.7 | 27.1 | 0 | 0 | 0 | 109.1 | D10 | D10-D12 VanDerWaalsContact C-N 3.29Å; D10-D12 PolarHBondContact O-N 3.05Å | ||
| 13 | F | 50.3 | Low | 52.4 | Low | 193 Ų | 193 | 142.1 Ų | 142.1 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -120.7 | 77.9 | 170 | -157.5 | -92.6 | 0 | 0 | 0 | 108 | G11 | G11-F13 PolarHBondContact O-N 3.27Š| ||
| 14 | D | 46.8 | Very low | 52.2 | Low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | 38.8 | 98.7 | 136.3 | -131.7 | 15.4 | 0 | 0 | 0 | 114.3 | A16 | D14-A16 PolarHBondContact O-N 3.18Š| ||
| 15 | D | 52.7 | Low | 52 | Low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -13.7 | 91.3 | 147.4 | -162.1 | 31.1 | 0 | 0 | 0 | 112.1 | E17 | D15-E17 PolarHBondContact O-N 2.75Š| ||
| 16 | A | 55 | Low | 51.5 | Low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -73.2 | 86.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | D14 E18 | D14-A16 PolarHBondContact O-N 3.18Å; A16-E18 PolarHBondContact O-N 2.76Å; A16-E18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | E | 54.3 | Low | 51.6 | Low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 7.8 | 92.2 | 159 | -59.9 | -90.6 | 161.5 | 0 | 0 | 111.1 | D15 D19 | D15-E17 PolarHBondContact O-N 2.75Å; E17-D19 PolarHBondContact O-N 2.96Å | ||
| 18 | E | 51.7 | Low | 51.5 | Low | 175 Ų | 175 | 138.9 Ų | 138.9 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -49.5 | 117.4 | 164 | -111.4 | 174.3 | -179.6 | 0 | 0 | 106.6 | A16 E20 | A16-E18 PolarHBondContact O-N 2.76Å; A16-E18 VanDerWaalsContact O-N 3.09Å; E18-E20 VanDerWaalsContact C-N 3.26Å; E18-E20 PolarHBondContact O-N 2.99Å | ||
| 19 | D | 50.4 | Low | 51.1 | Low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | -54.1 | 87.9 | 176.8 | -178.5 | 38.3 | 0 | 0 | 0 | 109.2 | E17 G21 | E17-D19 PolarHBondContact O-N 2.96Å; D19-G21 PolarHBondContact O-N 3.24Å | ||
| 20 | E | 51.7 | Low | 51 | Low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 51.4 | 176.9 | -71.8 | -158.3 | 179.1 | 0 | 0 | 111.2 | E18 | E18-E20 VanDerWaalsContact C-N 3.26Å; E18-E20 PolarHBondContact O-N 2.99Å |
| 21 | G | 47 | Very low | 50.5 | Low | 57 Ų | 57 | 136 Ų | 136 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -4.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | D19 | D19-G21 PolarHBondContact O-N 3.24Š|
| 22 | L | 51.1 | Low | 50.7 | Low | 119 Ų | 119 | 138 Ų | 138 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -103.1 | -10.1 | -171.2 | -104.4 | 119.3 | 0 | 0 | 0 | 115.6 | D24 | L22-D24 VanDerWaalsContact C-N 3.31Å; L22-D24 PolarHBondContact O-N 2.52Å |
| 23 | D | 45.3 | Very low | 50.4 | Low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -77 | -14.3 | -171.1 | -127.9 | 22.7 | 0 | 0 | 0 | 113.9 | L25 | D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.15Å |
| 24 | D | 49.4 | Very low | 50.6 | Low | 166 Ų | 166 | 135.9 Ų | 135.9 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -89.3 | 11.4 | 179.9 | -152.3 | 28.7 | 0 | 0 | 0 | 113.5 | L22 | L22-D24 VanDerWaalsContact C-N 3.31Å; L22-D24 PolarHBondContact O-N 2.52Å |
| 25 | L | 54.8 | Low | 51.8 | Low | 114 Ų | 114 | 133 Ų | 133 | 60% | 0.597 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -101.5 | -6 | 178.1 | -82 | 158.7 | 0 | 0 | 0 | 114 | D23 N27 V28 | D23-L25 VanDerWaalsContact C-N 3.29Å; D23-L25 PolarHBondContact O-N 3.15Å; L25-N27 VanDerWaalsContact C-N 3.28Å; L25-N27 PolarHBondContact O-N 3.41Å; L25-V28 HydrophobicContact CD2-CG2 4.32Å |
| 26 | E | 52.3 | Low | 53 | Low | 163 Ų | 163 | 127.7 Ų | 127.7 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -5.7 | -171.8 | -69 | -154.9 | 150.8 | 0 | 0 | 115.4 | ||
| 27 | N | 52.9 | Low | 54.5 | Low | 156 Ų | 156 | 127.8 Ų | 127.8 | 83% | 0.834 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 30.1 | -179.2 | -91.2 | -43.3 | 0 | 0 | 0 | 114.4 | L25 E29 | L25-N27 VanDerWaalsContact C-N 3.28Å; L25-N27 PolarHBondContact O-N 3.41Å; N27-E29 PolarHBondContact O-N 2.6Å; N27-E29 VanDerWaalsContact O-N 3.14Å |
| 28 | V | 52.1 | Low | 55.9 | Low | 52 Ų | 52 | 121 Ų | 121 | 32% | 0.315 | 62% | 0.62 | S | S | . | * | trans | -80.5 | 95.1 | 166.2 | -153.5 | 0 | 0 | 0 | 0 | 107.3 | L25 D30 Y60 | L25-V28 HydrophobicContact CD2-CG2 4.32Å; V28-D30 PolarHBondContact O-N 3.25Å; V28-Y60 HydrophobicContact CG1-CE1 3.78Å | ||
| 29 | E | 46.8 | Very low | 57.5 | Low | 162 Ų | 162 | 113 Ų | 113 | 76% | 0.757 | 58% | 0.583 | S | S | * | * | trans | -44.6 | 111.8 | 165.7 | -66.2 | 173 | 153.3 | 0 | 0 | 107.9 | N27 E31 | N27-E29 PolarHBondContact O-N 2.6Å; N27-E29 VanDerWaalsContact O-N 3.14Å; E29-E31 PolarHBondContact O-N 2.95Å | ||
| 30 | D | 47.9 | Very low | 59 | Low | 114 Ų | 114 | 109.7 Ų | 109.7 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -62.6 | 1.4 | -174.9 | -74.1 | -62.9 | 0 | 0 | 0 | 113.5 | V28 D32 Q33 | V28-D30 PolarHBondContact O-N 3.25Å; D30-D32 PolarHBondContact O-N 2.83Å; D30-Q33 PolarHBondContact O-N 2.64Å; D30-Q33 PolarHBondContact OD1-NE2 3.11Å |
| 31 | E | 45.8 | Very low | 60 | Low | 173 Ų | 173 | 103.3 Ų | 103.3 | 81% | 0.808 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -69.6 | -16.6 | -174.4 | -63.1 | -157.6 | 158.6 | 0 | 0 | 113.8 | E29 | E29-E31 PolarHBondContact O-N 2.95Š|
| 32 | D | 49.1 | Very low | 60.9 | Low | 100 Ų | 100 | 104.2 Ų | 104.2 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -94.1 | -5 | -179.5 | -78.9 | -33.6 | 0 | 0 | 0 | 114.6 | D30 E34 | D30-D32 PolarHBondContact O-N 2.83Å; D32-E34 PolarHBondContact O-N 3.16Å |
| 33 | Q | 50.5 | Low | 61.6 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -73.7 | -25.1 | -170 | -67.8 | -175.8 | 18 | 0 | 0 | 114.2 | D30 | D30-Q33 PolarHBondContact O-N 2.64Å; D30-Q33 PolarHBondContact OD1-NE2 3.11Å |
| 34 | E | 54.4 | Low | 62.3 | Low | 175 Ų | 175 | 99.1 Ų | 99.1 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -92.3 | -15.8 | -173.6 | -65.2 | -159.9 | 166 | 0 | 0 | 114.7 | D32 V36 | D32-E34 PolarHBondContact O-N 3.16Å; E34-V36 PolarHBondContact O-N 2.83Å |
| 35 | N | 72.9 | Confident | 62.7 | Low | 66 Ų | 66 | 95.8 Ų | 95.8 | 35% | 0.353 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -86.6 | -1.7 | -171.1 | -72 | 73.8 | 0 | 0 | 0 | 114.7 | Y109 | N35-Y109 PolarHBondContact ND2-O 2.93Å; N35-Y109 WeakPolarHBondContact O-CD2 3.16Å; N35-Y109 PolarHBondContact O-N 3.32Å |
| 36 | V | 78.3 | Confident | 62.8 | Low | 30 Ų | 30 | 94.4 Ų | 94.4 | 18% | 0.182 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.6 | -177.6 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | E34 E61 R64 I106 R107 | E34-V36 PolarHBondContact O-N 2.83Å; V36-E61 HydrophobicContact CG1-CG 4.25Å; V36-R64 PolarHBondContact O-NH1 3.31Å; V36-I106 HydrophobicContact CG1-CG2 3.64Å; V36-R107 CarbonylContact C-O 3.6Å; V36-R107 VanDerWaalsContact CA-O 3.3Å; V36-R107 WeakPolarHBondContact CA-O 3.46Å |
| 37 | K | 86.2 | Confident | 62.8 | Low | 96 Ų | 96 | 91 Ų | 91 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.5 | 173 | -178.5 | 177.8 | -174.3 | -174 | 0 | 111.5 | L39 R107 Y109 | K37-L39 HydrophobicContact CD-CD2 3.86Å; K37-L39 HydrophobicContact CG-CD2 4.01Å; K37-L39 HydrophobicContact CG-CG 4.36Å; K37-R107 HydrophobicContact CB-CB 4.18Å; K37-R107 PolarHBondContact N-O 3.43Å; K37-R107 PolarHBondContact O-N 3.48Å; K37-Y109 HydrophobicContact CB-CE2 3.89Å |
| 38 | I | 84 | Confident | 62.8 | Low | 30 Ų | 30 | 91.4 Ų | 91.4 | 15% | 0.154 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.8 | 176.7 | -58.4 | -55.5 | 0 | 0 | 0 | 109.3 | R64 V65 T68 I104 I106 | I38-R64 HydrophobicContact CD1-CG 4.33Å; I38-R64 HydrophobicContact CG1-CG 3.88Å; I38-V65 HydrophobicContact CD1-CG2 3.93Å; I38-T68 HydrophobicContact CG2-CG2 4.03Å; I38-I104 HydrophobicContact CD1-CG2 4.48Å; I38-I104 HydrophobicContact CG2-CD1 4.19Å; I38-I104 HydrophobicContact CG2-CG1 4.42Å; I38-I104 HydrophobicContact CG2-CG2 3.37Å; I38-I106 HydrophobicContact CD1-CG1 3.99Å |
| 39 | L | 84.6 | Confident | 63.4 | Low | 9 Ų | 9 | 94.4 Ų | 94.4 | 5% | 0.047 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.1 | -177.4 | -61.4 | 175.9 | 0 | 0 | 0 | 110.7 | K37 I104 I105 R107 | K37-L39 HydrophobicContact CD-CD2 3.86Å; K37-L39 HydrophobicContact CG-CD2 4.01Å; K37-L39 HydrophobicContact CG-CG 4.36Å; L39-I104 CarbonylContact O-C 3.57Å; L39-I104 WeakPolarHBondContact O-CA 3.35Å; L39-I105 HydrophobicContact CB-CB 4.19Å; L39-I105 PolarHBondContact N-O 3.21Å; L39-I105 PolarHBondContact O-N 2.99Å; L39-R107 HydrophobicContact CD1-CB 4.07Å |
| 40 | P | 82.2 | Confident | 64.8 | Low | 67 Ų | 67 | 96.4 Ų | 96.4 | 44% | 0.435 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 152.5 | 171.3 | 29.2 | -33.3 | 0 | 0 | 0 | 111.6 | G42 E43 | P40-G42 PolarHBondContact O-N 3.5Å; P40-E43 HydrophobicContact CG-CG 4.01Å; P40-E43 PolarHBondContact O-N 2.86Å |
| 41 | A | 71.7 | Confident | 66.5 | Low | 62 Ų | 62 | 94.6 Ų | 94.6 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 7.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | P103 | A41-P103 HydrophobicContact CB-CB 3.98Å; A41-P103 WeakPolarHBondContact CB-O 3.42Å; A41-P103 PolarHBondContact N-O 2.89Å |
| 42 | G | 65.9 | Low | 68.6 | Low | 76 Ų | 76 | 92.6 Ų | 92.6 | 78% | 0.784 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -7.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P40 | P40-G42 PolarHBondContact O-N 3.5Š|
| 43 | E | 66.6 | Low | 70.6 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | trans | -100.9 | -1.8 | -173 | -70.2 | -179.9 | -169.9 | 0 | 0 | 114.1 | P40 S45 | P40-E43 HydrophobicContact CG-CG 4.01Å; P40-E43 PolarHBondContact O-N 2.86Å; E43-S45 PolarHBondContact O-N 3.24Å | ||
| 44 | G | 60.2 | Low | 72.5 | Confident | 39 Ų | 39 | 87.2 Ų | 87.2 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | trans | -69.8 | 110.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 45 | S | 57.5 | Low | 74.3 | Confident | 96 Ų | 96 | 84 Ų | 84 | 67% | 0.671 | 48% | 0.479 | S | S | * | . | trans | -103.2 | -2.7 | -164.4 | -140.9 | 0 | 0 | 0 | 0 | 115.2 | E43 D117 | E43-S45 PolarHBondContact O-N 3.24Å; S45-D117 PolarHBondContact N-OD2 2.7Å | ||
| 46 | Q | 56.8 | Low | 75.4 | Confident | 84 Ų | 84 | 86.2 Ų | 86.2 | 39% | 0.393 | 48% | 0.483 | S | S | . | . | trans | -143.3 | 73.9 | -170 | -65.5 | -172.9 | -32.1 | 0 | 0 | 114.3 | N48 Q49 | Q46-N48 PolarHBondContact O-N 3.32Å; Q46-Q49 HydrophobicContact CB-CG 4.49Å; Q46-Q49 VanDerWaalsContact OE1-CD 3.31Å | ||
| 47 | A | 51.9 | Low | 76.1 | Confident | 92 Ų | 92 | 85.2 Ų | 85.2 | 76% | 0.76 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 16.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 48 | N | 52.7 | Low | 76.5 | Confident | 164 Ų | 164 | 83.1 Ų | 83.1 | 88% | 0.877 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.3 | 28.3 | -172.3 | -96.7 | -53.6 | 0 | 0 | 0 | 115 | Q46 | Q46-N48 PolarHBondContact O-N 3.32Š|
| 49 | Q | 65.9 | Low | 76.9 | Confident | 115 Ų | 115 | 88.9 Ų | 88.9 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -101.8 | 141.5 | 165.2 | -66.4 | -169.1 | 7.9 | 0 | 0 | 109.7 | Q46 R51 | Q46-Q49 HydrophobicContact CB-CG 4.49Å; Q46-Q49 VanDerWaalsContact OE1-CD 3.31Å; Q49-R51 VanDerWaalsContact C-N 3.35Å; Q49-R51 PolarHBondContact O-N 2.9Å |
| 50 | K | 76.2 | Confident | 77.3 | Confident | 205 Ų | 205 | 93.4 Ų | 93.4 | 89% | 0.891 | 51% | 0.513 | S | S | * | . | trans | -66.7 | 93.7 | 178.8 | -170.5 | -179.4 | -176.1 | -174.1 | 0 | 108.5 | ||||
| 51 | R | 84.1 | Confident | 77.8 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | trans | -66.6 | 138.5 | 178.4 | -59 | -174.1 | -169.9 | 152.9 | -6.4 | 110.3 | Q49 E116 D117 W118 E122 | Q49-R51 VanDerWaalsContact C-N 3.35Å; Q49-R51 PolarHBondContact O-N 2.9Å; R51-E116 WeakPolarHBondContact CA-OE1 3.38Å; R51-E116 HydrophobicContact CB-CG 4.49Å; R51-E116 HydrophobicContact CG-CG 4.35Å; R51-D117 PolarHBondContact NE-O 3.28Å; R51-D117 PolarHBondContact NH2-O 3.21Å; R51-W118 HydrophobicContact CB-CH2 4.43Å; R51-W118 HydrophobicContact CB-CZ2 3.81Å; R51-W118 VanDerWaalsContact CD-CE2 3.47Å; R51-W118 VanDerWaalsContact CD-CZ2 3.4Å; R51-W118 HydrophobicContact CG-CZ2 4.25Å; R51-E122 IonicContact CZ-OE1 3.43Å; R51-E122 IonicContact CZ-OE2 3.69Å; R51-E122 IonicContact NH1-OE1 3.83Å; R51-E122 PolarHBondContact NH1-OE1 3Å; R51-E122 IonicContact NH1-OE2 3.14Å; R51-E122 PolarHBondContact NH1-OE2 2.94Å; R51-E122 IonicContact NH2-OE1 3.05Å; R51-E122 PolarHBondContact NH2-OE1 3.22Å; R51-E122 IonicContact NH2-OE2 3.68Å | ||
| 52 | I | 89 | Confident | 78.8 | Confident | 131 Ų | 131 | 91.4 Ų | 91.4 | 67% | 0.672 | 48% | 0.484 | S | S | * | . | trans | -110 | -19.8 | 179 | 60.3 | 164.3 | 0 | 0 | 0 | 112.5 | L110 E116 | I52-L110 HydrophobicContact CD1-CD1 3.89Å; I52-L110 HydrophobicContact CD1-CD2 4.08Å; I52-L110 HydrophobicContact CG1-CD1 4.12Å; I52-L110 HydrophobicContact CG1-CD2 4.32Å; I52-E116 VanDerWaalsContact CG1-OE1 3.23Å; I52-E116 WeakPolarHBondContact CG1-OE1 3.36Å; I52-E116 PolarHBondContact N-OE1 3.17Å | ||
| 53 | T | 90.1 | Very high | 80.2 | Confident | 34 Ų | 34 | 90.8 Ų | 90.8 | 21% | 0.209 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -73.2 | 160.4 | 179 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | R108 L110 E116 W118 | T53-R108 WeakPolarHBondContact OG1-CD 3.27Å; T53-R108 PolarHBondContact OG1-NH1 3.43Å; T53-R108 VanDerWaalsContact OG1-NH1 3.11Å; T53-L110 HydrophobicContact CG2-CD2 3.77Å; T53-E116 VanDerWaalsContact CB-OE2 3.24Å; T53-E116 WeakPolarHBondContact CB-OE2 3.03Å; T53-E116 VanDerWaalsContact CG2-OE2 3.29Å; T53-E116 WeakPolarHBondContact CG2-OE2 3.34Å; T53-E116 PolarHBondContact N-OE1 3.45Å; T53-E116 PolarHBondContact N-OE2 3.38Å; T53-E116 VanDerWaalsContact N-OE2 3.15Å; T53-E116 PolarHBondContact OG1-OE2 3.22Å; T53-W118 PolarHBondContact OG1-NE1 2.9Å |
| 54 | T | 92 | Very high | 81.5 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 45% | 0.454 | 47% | 0.466 | S | S | . | . | trans | -62.2 | 140.2 | -175.6 | -179.2 | 0 | 0 | 0 | 0 | 112.7 | Y56 R108 | T54-Y56 PolarHBondContact O-N 3.14Å; T54-Y56 VanDerWaalsContact O-N 3.16Å; T54-Y56 WeakPolarHBondContact OG1-CD2 3.47Å; T54-Y56 PolarHBondContact OG1-N 3.48Å; T54-R108 PolarHBondContact O-NH1 2.93Å | ||
| 55 | Q | 92.6 | Very high | 83.1 | Confident | 108 Ų | 108 | 88.8 Ų | 88.8 | 51% | 0.505 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -74 | 1 | 173.7 | 63.3 | -176 | 86.5 | 0 | 0 | 113.9 | W118 I124 | Q55-W118 HydrophobicContact CB-CH2 4.29Å; Q55-W118 HydrophobicContact CB-CZ3 4.32Å; Q55-I124 HydrophobicContact CG-CD1 4.12Å; Q55-I124 PolarHBondContact O-N 3.18Å |
| 56 | Y | 94.4 | Very high | 84.9 | Confident | 112 Ų | 112 | 84.9 Ų | 84.9 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -91.3 | 137.6 | 178.6 | -67.6 | -92.4 | 0 | 0 | 0 | 110.7 | T54 R108 I124 T126 | T54-Y56 PolarHBondContact O-N 3.14Å; T54-Y56 VanDerWaalsContact O-N 3.16Å; T54-Y56 WeakPolarHBondContact OG1-CD2 3.47Å; T54-Y56 PolarHBondContact OG1-N 3.48Å; Y56-R108 PolarHBondContact O-NH2 2.87Å; Y56-I124 CarbonylContact C-O 3.46Å; Y56-I124 WeakPolarHBondContact CA-O 3.47Å; Y56-I124 HydrophobicContact CD1-CB 3.8Å; Y56-I124 HydrophobicContact CD1-CG2 3.69Å; Y56-I124 HydrophobicContact CE1-CB 4.07Å; Y56-I124 HydrophobicContact CE1-CD1 4.32Å; Y56-I124 HydrophobicContact CE1-CG2 3.62Å; Y56-I124 HydrophobicContact CG-CB 4.37Å; Y56-T126 HydrophobicContact CD1-CG2 3.81Å; Y56-T126 HydrophobicContact CE1-CG2 4.1Å |
| 57 | M | 93.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 82.9 Ų | 82.9 | 4% | 0.039 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 130 | 171.1 | -172.5 | 176.5 | -77.4 | 0 | 0 | 109 | E61 R62 L97 I106 C120 L123 I124 I125 | M57-E61 WeakPolarHBondContact CA-OE2 3.29Å; M57-E61 HydrophobicContact CG-CB 3.85Å; M57-R62 HydrophobicContact CG-CB 4.26Å; M57-R62 HydrophobicContact SD-CB 3.84Å; M57-L97 HydrophobicContact CE-CD1 4.3Å; M57-L97 HydrophobicContact SD-CD1 4.45Å; M57-I106 HydrophobicContact CE-CD1 3.94Å; M57-C120 HydrophobicContact CE-CB 4.35Å; M57-L123 HydrophobicContact CB-CB 4.06Å; M57-L123 HydrophobicContact CB-CD1 4.29Å; M57-L123 HydrophobicContact CE-CB 4.1Å; M57-L123 HydrophobicContact CE-CD1 3.9Å; M57-L123 HydrophobicContact CG-CD1 4.4Å; M57-I124 PolarHBondContact N-O 3.24Å; M57-I125 HydrophobicContact CB-CG1 4.43Å; M57-I125 HydrophobicContact CE-CG1 4.33Å; M57-I125 HydrophobicContact SD-CG1 4.06Å |
| 58 | T | 93.9 | Very high | 88.9 | Confident | 53 Ų | 53 | 80.6 Ų | 80.6 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 158 | 176.3 | 75 | 0 | 0 | 0 | 0 | 110.7 | Y60 E61 R62 | T58-Y60 PolarHBondContact O-N 2.74Å; T58-E61 PolarHBondContact N-OE2 2.89Å; T58-E61 PolarHBondContact O-N 2.77Å; T58-E61 WeakPolarHBondContact OG1-CB 3.19Å; T58-E61 VanDerWaalsContact OG1-CG 3.23Å; T58-E61 WeakPolarHBondContact OG1-CG 3.1Å; T58-E61 PolarHBondContact OG1-N 2.83Å; T58-E61 VanDerWaalsContact OG1-N 3.08Å; T58-R62 PolarHBondContact O-N 2.78Å |
| 59 | K | 92.7 | Very high | 91 | Very high | 151 Ų | 151 | 73.1 Ų | 73.1 | 66% | 0.657 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -57.8 | -34.7 | 174.8 | 64.3 | 179.3 | -176.5 | 173.3 | 0 | 112.3 | A63 | K59-A63 WeakPolarHBondContact O-CB 3.45Å; K59-A63 PolarHBondContact O-N 3.08Å |
| 60 | Y | 92.5 | Very high | 92.5 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 41% | 0.408 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 178.4 | -53 | -69.5 | 0 | 0 | 0 | 112.1 | V28 T58 A63 R64 | V28-Y60 HydrophobicContact CG1-CE1 3.78Å; T58-Y60 PolarHBondContact O-N 2.74Å; Y60-A63 PolarHBondContact O-N 3.41Å; Y60-R64 WeakPolarHBondContact O-CB 3.23Å; Y60-R64 PolarHBondContact O-N 2.83Å |
| 61 | E | 93.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 2% | 0.023 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 174 | -74.8 | 167 | 168.4 | 0 | 0 | 111.2 | V36 M57 T58 A63 R64 V65 I106 R108 | V36-E61 HydrophobicContact CG1-CG 4.25Å; M57-E61 WeakPolarHBondContact CA-OE2 3.29Å; M57-E61 HydrophobicContact CG-CB 3.85Å; T58-E61 PolarHBondContact N-OE2 2.89Å; T58-E61 PolarHBondContact O-N 2.77Å; T58-E61 WeakPolarHBondContact OG1-CB 3.19Å; T58-E61 VanDerWaalsContact OG1-CG 3.23Å; T58-E61 WeakPolarHBondContact OG1-CG 3.1Å; T58-E61 PolarHBondContact OG1-N 2.83Å; T58-E61 VanDerWaalsContact OG1-N 3.08Å; E61-A63 PolarHBondContact O-N 2.78Å; E61-R64 PolarHBondContact O-N 2.82Å; E61-V65 WeakPolarHBondContact O-CB 3.35Å; E61-V65 VanDerWaalsContact O-CG2 3.24Å; E61-V65 WeakPolarHBondContact O-CG2 3.21Å; E61-V65 PolarHBondContact O-N 3.46Å; E61-I106 HydrophobicContact CB-CD1 3.95Å; E61-I106 HydrophobicContact CG-CD1 4.25Å; E61-I106 HydrophobicContact CG-CG2 3.96Å; E61-R108 IonicContact OE1-CZ 2.96Å; E61-R108 VanDerWaalsContact OE1-CZ 3.31Å; E61-R108 IonicContact OE1-NE 2.86Å; E61-R108 PolarHBondContact OE1-NE 2.85Å; E61-R108 IonicContact OE1-NH2 3.31Å; E61-R108 PolarHBondContact OE1-NH2 3.14Å; E61-R108 VanDerWaalsContact OE1-NH2 3.14Å; E61-R108 IonicContact OE2-CZ 2.75Å; E61-R108 IonicContact OE2-NE 3.77Å; E61-R108 IonicContact OE2-NH2 3.71Å; E61-R108 PolarHBondContact OE2-NH2 3.25Å |
| 62 | R | 93.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.2 | -50.1 | 176.2 | 176 | 175.8 | 164.6 | -169.3 | -5.5 | 111.1 | M57 T58 R64 V65 L66 L97 T126 D127 | M57-R62 HydrophobicContact CG-CB 4.26Å; M57-R62 HydrophobicContact SD-CB 3.84Å; T58-R62 PolarHBondContact O-N 2.78Å; R62-R64 PolarHBondContact O-N 3.5Å; R62-V65 PolarHBondContact O-N 3.44Å; R62-L66 HydrophobicContact CG-CD1 4.05Å; R62-L66 WeakPolarHBondContact O-CB 3.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.4Å; R62-L66 PolarHBondContact O-N 2.97Å; R62-L97 HydrophobicContact CG-CD2 4.03Å; R62-T126 PolarHBondContact NH1-O 3.33Å; R62-D127 PolarHBondContact NH1-OXT 3.46Å |
| 63 | A | 93.8 | Very high | 94.4 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K59 Y60 E61 L66 G67 | K59-A63 WeakPolarHBondContact O-CB 3.45Å; K59-A63 PolarHBondContact O-N 3.08Å; Y60-A63 PolarHBondContact O-N 3.41Å; E61-A63 PolarHBondContact O-N 2.78Å; A63-L66 PolarHBondContact O-N 3.04Å; A63-G67 PolarHBondContact O-N 3.38Å |
| 64 | R | 94 | Very high | 94.7 | Very high | 109 Ų | 109 | 58.7 Ų | 58.7 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | -178.3 | -165.4 | 175.1 | -177.3 | 174.8 | -3.3 | 112.9 | V36 I38 Y60 E61 R62 T68 | V36-R64 PolarHBondContact O-NH1 3.31Å; I38-R64 HydrophobicContact CD1-CG 4.33Å; I38-R64 HydrophobicContact CG1-CG 3.88Å; Y60-R64 WeakPolarHBondContact O-CB 3.23Å; Y60-R64 PolarHBondContact O-N 2.83Å; E61-R64 PolarHBondContact O-N 2.82Å; R62-R64 PolarHBondContact O-N 3.5Å; R64-T68 VanDerWaalsContact O-CB 3.26Å; R64-T68 WeakPolarHBondContact O-CB 3.33Å; R64-T68 PolarHBondContact O-N 3.34Å; R64-T68 PolarHBondContact O-OG1 3.35Å |
| 65 | V | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | I38 E61 R62 R69 I102 I104 I106 | I38-V65 HydrophobicContact CD1-CG2 3.93Å; E61-V65 WeakPolarHBondContact O-CB 3.35Å; E61-V65 VanDerWaalsContact O-CG2 3.24Å; E61-V65 WeakPolarHBondContact O-CG2 3.21Å; E61-V65 PolarHBondContact O-N 3.46Å; R62-V65 PolarHBondContact O-N 3.44Å; V65-R69 WeakPolarHBondContact O-CB 3.39Å; V65-R69 PolarHBondContact O-N 2.98Å; V65-I102 HydrophobicContact CG1-CD1 3.74Å; V65-I102 HydrophobicContact CG1-CG2 3.95Å; V65-I104 HydrophobicContact CG1-CD1 4.39Å; V65-I104 HydrophobicContact CG2-CG2 4.2Å; V65-I106 HydrophobicContact CG2-CD1 3.83Å; V65-I106 HydrophobicContact CG2-CG1 3.9Å |
| 66 | L | 95.9 | Very high | 95 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 177.2 | -72.3 | 173.5 | 0 | 0 | 0 | 111.6 | R62 A63 R69 A70 L90 A93 M94 L97 | R62-L66 HydrophobicContact CG-CD1 4.05Å; R62-L66 WeakPolarHBondContact O-CB 3.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.4Å; R62-L66 PolarHBondContact O-N 2.97Å; A63-L66 PolarHBondContact O-N 3.04Å; L66-R69 PolarHBondContact O-N 2.77Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.24Å; L66-L90 HydrophobicContact CB-CD1 4.14Å; L66-A93 HydrophobicContact CD2-CB 4.17Å; L66-M94 HydrophobicContact CD1-CG 4.27Å; L66-M94 HydrophobicContact CD2-CB 4.42Å; L66-M94 HydrophobicContact CD2-CG 3.94Å; L66-L97 HydrophobicContact CD1-CD2 4.17Å; L66-L97 HydrophobicContact CD2-CB 4.02Å; L66-L97 HydrophobicContact CD2-CD2 3.8Å; L66-L97 HydrophobicContact CG-CD2 3.98Å |
| 67 | G | 95.9 | Very high | 95 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A63 R69 A70 L71 | A63-G67 PolarHBondContact O-N 3.38Å; G67-R69 VanDerWaalsContact C-N 3.32Å; G67-R69 PolarHBondContact O-N 3.14Å; G67-A70 PolarHBondContact O-N 3.26Å; G67-L71 WeakPolarHBondContact O-CB 3.1Å; G67-L71 PolarHBondContact O-N 3.08Å |
| 68 | T | 96.3 | Very high | 95.1 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | I38 R64 L71 Q72 I104 | I38-T68 HydrophobicContact CG2-CG2 4.03Å; R64-T68 VanDerWaalsContact O-CB 3.26Å; R64-T68 WeakPolarHBondContact O-CB 3.33Å; R64-T68 PolarHBondContact O-N 3.34Å; R64-T68 PolarHBondContact O-OG1 3.35Å; T68-L71 PolarHBondContact O-N 2.99Å; T68-Q72 WeakPolarHBondContact O-CG 3.23Å; T68-Q72 PolarHBondContact O-N 3.47Å; T68-I104 HydrophobicContact CG2-CD1 4.32Å |
| 69 | R | 96.9 | Very high | 95.1 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.2 | -41.2 | -178.4 | -173.7 | 55.4 | 178.2 | 159.5 | 9.3 | 112.3 | V65 L66 G67 L71 Q72 I73 P78 A93 E96 I102 I104 | V65-R69 WeakPolarHBondContact O-CB 3.39Å; V65-R69 PolarHBondContact O-N 2.98Å; L66-R69 PolarHBondContact O-N 2.77Å; G67-R69 VanDerWaalsContact C-N 3.32Å; G67-R69 PolarHBondContact O-N 3.14Å; R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 2.84Å; R69-Q72 VanDerWaalsContact CD-OE1 3.3Å; R69-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R69-Q72 WeakPolarHBondContact O-CB 3.36Å; R69-Q72 PolarHBondContact O-N 2.68Å; R69-I73 HydrophobicContact CG-CD1 4.03Å; R69-I73 WeakPolarHBondContact O-CG1 3.16Å; R69-I73 PolarHBondContact O-N 2.88Å; R69-P78 PolarHBondContact NH2-O 3.34Å; R69-A93 HydrophobicContact CB-CB 4.06Å; R69-A93 HydrophobicContact CG-CB 3.98Å; R69-E96 WeakPolarHBondContact CG-OE2 3.44Å; R69-E96 IonicContact CZ-OE1 3.72Å; R69-E96 IonicContact CZ-OE2 2.8Å; R69-E96 IonicContact NE-OE1 3.76Å; R69-E96 IonicContact NE-OE2 3.14Å; R69-E96 PolarHBondContact NE-OE2 3.43Å; R69-E96 IonicContact NH2-OE1 3.4Å; R69-E96 PolarHBondContact NH2-OE1 3.33Å; R69-E96 IonicContact NH2-OE2 2.77Å; R69-E96 PolarHBondContact NH2-OE2 2.97Å; R69-E96 VanDerWaalsContact NH2-OE2 3.14Å; R69-I102 HydrophobicContact CB-CD1 4.41Å; R69-I102 HydrophobicContact CB-CG2 4.38Å; R69-I102 HydrophobicContact CG-CD1 4.27Å; R69-I102 HydrophobicContact CG-CG1 4.41Å; R69-I102 HydrophobicContact CG-CG2 4.17Å; R69-I104 HydrophobicContact CB-CD1 4.05Å |
| 70 | A | 96.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | L66 G67 Q72 I73 A74 P89 L90 A93 | L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.24Å; G67-A70 PolarHBondContact O-N 3.26Å; A70-Q72 PolarHBondContact O-N 3.17Å; A70-I73 PolarHBondContact O-N 2.77Å; A70-A74 WeakPolarHBondContact O-CB 3.4Å; A70-A74 PolarHBondContact O-N 2.78Å; A70-P89 HydrophobicContact CB-CB 4.3Å; A70-P89 WeakPolarHBondContact O-CB 3.39Å; A70-L90 HydrophobicContact CB-CB 4.23Å; A70-L90 HydrophobicContact CB-CD1 4.25Å; A70-A93 HydrophobicContact CB-CB 4.23Å |
| 71 | L | 96.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 56.1 Ų | 56.1 | 56% | 0.555 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.9 | -44.9 | 174.6 | 178.7 | 61.3 | 0 | 0 | 0 | 112 | G67 T68 R69 I73 A74 M75 | G67-L71 WeakPolarHBondContact O-CB 3.1Å; G67-L71 PolarHBondContact O-N 3.08Å; T68-L71 PolarHBondContact O-N 2.99Å; R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 2.84Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 2.91Å; L71-A74 WeakPolarHBondContact O-CB 3.41Å; L71-A74 PolarHBondContact O-N 2.82Å; L71-M75 HydrophobicContact CD1-CG 4.4Å; L71-M75 HydrophobicContact CD1-SD 4.27Å; L71-M75 HydrophobicContact CG-SD 4.24Å; L71-M75 WeakPolarHBondContact O-CG 3.48Å; L71-M75 PolarHBondContact O-N 3.39Å |
| 72 | Q | 96.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 175.6 | -71.5 | 171.9 | 0.5 | 0 | 0 | 111.6 | T68 R69 A70 A74 M75 C76 A77 | T68-Q72 WeakPolarHBondContact O-CG 3.23Å; T68-Q72 PolarHBondContact O-N 3.47Å; R69-Q72 VanDerWaalsContact CD-OE1 3.3Å; R69-Q72 VanDerWaalsContact NH1-OE1 3.11Å; R69-Q72 WeakPolarHBondContact O-CB 3.36Å; R69-Q72 PolarHBondContact O-N 2.68Å; A70-Q72 PolarHBondContact O-N 3.17Å; Q72-A74 VanDerWaalsContact C-N 3.35Å; Q72-A74 PolarHBondContact O-N 2.87Å; Q72-M75 CarbonylContact O-C 3.4Å; Q72-M75 WeakPolarHBondContact O-CA 3.43Å; Q72-M75 PolarHBondContact O-N 2.79Å; Q72-M75 VanDerWaalsContact O-N 3.13Å; Q72-C76 PolarHBondContact O-N 2.65Å; Q72-A77 HydrophobicContact CB-CB 3.86Å; Q72-A77 WeakPolarHBondContact O-CB 3.35Å; Q72-A77 PolarHBondContact O-N 2.83Å |
| 73 | I | 96.5 | Very high | 95 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 9% | 0.087 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 178 | -66.5 | 161.2 | 0 | 0 | 0 | 110.6 | R69 A70 L71 M75 C76 V79 P89 I92 A93 | R69-I73 HydrophobicContact CG-CD1 4.03Å; R69-I73 WeakPolarHBondContact O-CG1 3.16Å; R69-I73 PolarHBondContact O-N 2.88Å; A70-I73 PolarHBondContact O-N 2.77Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 2.91Å; I73-M75 PolarHBondContact O-N 3.03Å; I73-C76 WeakPolarHBondContact O-CA 3.44Å; I73-C76 PolarHBondContact O-N 2.85Å; I73-V79 HydrophobicContact CG1-CG2 4.36Å; I73-V79 HydrophobicContact CG2-CG2 4.25Å; I73-P89 HydrophobicContact CB-CB 4.14Å; I73-P89 HydrophobicContact CG2-CB 3.96Å; I73-I92 HydrophobicContact CD1-CB 4.05Å; I73-I92 HydrophobicContact CD1-CG2 3.73Å; I73-I92 HydrophobicContact CG2-CD1 4.09Å; I73-I92 HydrophobicContact CG2-CG2 4.47Å; I73-A93 HydrophobicContact CD1-CB 4.04Å |
| 74 | A | 96.1 | Very high | 94.8 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.4 | -32.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A70 L71 Q72 C76 P89 | A70-A74 WeakPolarHBondContact O-CB 3.4Å; A70-A74 PolarHBondContact O-N 2.78Å; L71-A74 WeakPolarHBondContact O-CB 3.41Å; L71-A74 PolarHBondContact O-N 2.82Å; Q72-A74 VanDerWaalsContact C-N 3.35Å; Q72-A74 PolarHBondContact O-N 2.87Å; A74-C76 PolarHBondContact O-N 2.82Å; A74-P89 HydrophobicContact CB-CB 4.28Å; A74-P89 HydrophobicContact CB-CG 3.99Å |
| 75 | M | 96.6 | Very high | 94.5 | Very high | 145 Ų | 145 | 66.5 Ų | 66.5 | 71% | 0.714 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 21.9 | 172 | -62.6 | 178.6 | 73.7 | 0 | 0 | 113.2 | L71 Q72 I73 A77 | L71-M75 HydrophobicContact CD1-CG 4.4Å; L71-M75 HydrophobicContact CD1-SD 4.27Å; L71-M75 HydrophobicContact CG-SD 4.24Å; L71-M75 WeakPolarHBondContact O-CG 3.48Å; L71-M75 PolarHBondContact O-N 3.39Å; Q72-M75 CarbonylContact O-C 3.4Å; Q72-M75 WeakPolarHBondContact O-CA 3.43Å; Q72-M75 PolarHBondContact O-N 2.79Å; Q72-M75 VanDerWaalsContact O-N 3.13Å; I73-M75 PolarHBondContact O-N 3.03Å; M75-A77 VanDerWaalsContact C-N 3.27Å; M75-A77 PolarHBondContact O-N 3.46Å |
| 76 | C | 93.5 | Very high | 94.4 | Very high | 119 Ų | 119 | 69 Ų | 69 | 80% | 0.804 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 28.4 | 179.2 | -52.7 | 0 | 0 | 0 | 0 | 114.5 | Q72 I73 A74 | Q72-C76 PolarHBondContact O-N 2.65Å; I73-C76 WeakPolarHBondContact O-CA 3.44Å; I73-C76 PolarHBondContact O-N 2.85Å; A74-C76 PolarHBondContact O-N 2.82Å |
| 77 | A | 95.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 74.7 Ų | 74.7 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -65 | 152.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q72 M75 V79 | Q72-A77 HydrophobicContact CB-CB 3.86Å; Q72-A77 WeakPolarHBondContact O-CB 3.35Å; Q72-A77 PolarHBondContact O-N 2.83Å; M75-A77 VanDerWaalsContact C-N 3.27Å; M75-A77 PolarHBondContact O-N 3.46Å; A77-V79 PolarHBondContact O-N 2.9Å |
| 78 | P | 95 | Very high | 94.1 | Very high | 106 Ų | 106 | 76.1 Ų | 76.1 | 69% | 0.688 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 131 | 179 | -22.8 | 33.5 | 0 | 0 | 0 | 112.2 | R69 | R69-P78 PolarHBondContact NH2-O 3.34Š|
| 79 | V | 94.6 | Very high | 94.2 | Very high | 50 Ų | 50 | 75.8 Ų | 75.8 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 139.5 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 110 | I73 A77 V81 L83 I92 E96 | I73-V79 HydrophobicContact CG1-CG2 4.36Å; I73-V79 HydrophobicContact CG2-CG2 4.25Å; A77-V79 PolarHBondContact O-N 2.9Å; V79-V81 HydrophobicContact CG1-CG2 3.87Å; V79-V81 WeakPolarHBondContact CG1-O 3.48Å; V79-L83 HydrophobicContact CG1-CD2 4.06Å; V79-I92 HydrophobicContact CB-CG2 4.49Å; V79-I92 HydrophobicContact CG1-CG2 3.55Å; V79-I92 HydrophobicContact CG2-CG2 4.05Å; V79-E96 WeakPolarHBondContact CA-OE1 3.46Å; V79-E96 WeakPolarHBondContact CG1-OE1 3.38Å |
| 80 | M | 92.3 | Very high | 94.1 | Very high | 91 Ų | 91 | 78.6 Ų | 78.6 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -98.6 | -5.8 | -172.9 | -57 | -58.6 | -68.2 | 0 | 0 | 113.8 | E96 K101 P103 | M80-E96 PolarHBondContact N-OE1 3.31Å; M80-K101 HydrophobicContact CB-CB 3.91Å; M80-K101 WeakPolarHBondContact CB-O 3.46Å; M80-K101 WeakPolarHBondContact CG-O 3.45Å; M80-K101 WeakPolarHBondContact O-CD 3.41Å; M80-P103 HydrophobicContact CG-CG 4.27Å |
| 81 | V | 93.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 82.8 Ų | 82.8 | 10% | 0.097 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -120.4 | 160.8 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | V79 K95 E96 C99 K101 | V79-V81 HydrophobicContact CG1-CG2 3.87Å; V79-V81 WeakPolarHBondContact CG1-O 3.48Å; V81-K95 HydrophobicContact CG2-CB 4.34Å; V81-K95 HydrophobicContact CG2-CD 4.12Å; V81-K95 HydrophobicContact CG2-CG 4.11Å; V81-E96 HydrophobicContact CB-CG 4.31Å; V81-E96 HydrophobicContact CG1-CB 4.42Å; V81-E96 HydrophobicContact CG1-CG 3.93Å; V81-E96 HydrophobicContact CG2-CG 3.58Å; V81-C99 HydrophobicContact CG1-CB 3.82Å; V81-K101 HydrophobicContact CG1-CB 4.36Å; V81-K101 HydrophobicContact CG1-CD 4.04Å |
| 82 | E | 92.2 | Very high | 94 | Very high | 165 Ų | 165 | 78.2 Ų | 78.2 | 77% | 0.771 | 45% | 0.446 | S | S | * | . | trans | -74.8 | 133.9 | 173 | -68.3 | 174.5 | -167.5 | 0 | 0 | 110.1 | K95 | E82-K95 WeakPolarHBondContact O-CE 3.5Å; E82-K95 PolarHBondContact O-NZ 2.91Å | ||
| 83 | L | 90.9 | Very high | 94 | Very high | 92 Ų | 92 | 75.2 Ų | 75.2 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | trans | -86.7 | 127.1 | 176 | -58.8 | 179.3 | 0 | 0 | 0 | 109.2 | V79 E86 I92 | V79-L83 HydrophobicContact CG1-CD2 4.06Å; L83-E86 WeakPolarHBondContact CA-OE2 3.3Å; L83-I92 HydrophobicContact CD2-CB 4.43Å; L83-I92 HydrophobicContact CD2-CD1 3.83Å; L83-I92 HydrophobicContact CD2-CG1 3.71Å; L83-I92 HydrophobicContact CD2-CG2 3.85Å | ||
| 84 | E | 90.1 | Very high | 94 | Very high | 153 Ų | 153 | 77.4 Ų | 77.4 | 72% | 0.715 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -109.8 | 31 | 177.7 | -69.8 | 167.1 | -125.4 | 0 | 0 | 111 | E86 K95 | E84-E86 PolarHBondContact N-OE2 3.17Å; E84-K95 VanDerWaalsContact CD-NZ 3.29Å; E84-K95 IonicContact OE1-NZ 3.83Å; E84-K95 PolarHBondContact OE1-NZ 2.95Å |
| 85 | G | 88.8 | Confident | 93.9 | Very high | 67 Ų | 67 | 76.2 Ų | 76.2 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 101.4 | 6.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T87 | G85-T87 PolarHBondContact O-N 3.48Š|
| 86 | E | 91.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 69.3 Ų | 69.3 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | trans | -68.5 | 123.7 | 170.6 | -54.4 | 86.2 | 168.2 | 0 | 0 | 110.2 | L83 E84 I92 K95 | L83-E86 WeakPolarHBondContact CA-OE2 3.3Å; E84-E86 PolarHBondContact N-OE2 3.17Å; E86-I92 HydrophobicContact CB-CG1 3.8Å; E86-K95 WeakPolarHBondContact OE1-CD 3.29Å; E86-K95 IonicContact OE1-NZ 2.7Å; E86-K95 PolarHBondContact OE1-NZ 3.19Å; E86-K95 IonicContact OE2-NZ 3.24Å | ||
| 87 | T | 91.3 | Very high | 93.9 | Very high | 133 Ų | 133 | 64.1 Ų | 64.1 | 82% | 0.816 | 36% | 0.357 | S | S | * | . | trans | -106.7 | -23.7 | 175.5 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | G85 | G85-T87 PolarHBondContact O-N 3.48Š| ||
| 88 | D | 96.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | trans | -78.6 | 123.8 | -178.1 | 173.7 | 53 | 0 | 0 | 0 | 111.1 | L90 Q91 I92 | D88-L90 PolarHBondContact O-N 2.82Å; D88-L90 VanDerWaalsContact OD2-CB 3.32Å; D88-L90 WeakPolarHBondContact OD2-CB 3.42Å; D88-L90 PolarHBondContact OD2-N 3.26Å; D88-Q91 HydrophobicContact CB-CB 4.13Å; D88-Q91 HydrophobicContact CB-CG 3.95Å; D88-Q91 PolarHBondContact O-N 2.94Å; D88-Q91 WeakPolarHBondContact OD2-CG 3.4Å; D88-Q91 PolarHBondContact OD2-N 3.45Å; D88-I92 WeakPolarHBondContact O-CG1 3.43Å; D88-I92 PolarHBondContact O-N 2.73Å | ||
| 89 | P | 96.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 69.3 Ų | 69.3 | 23% | 0.234 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.2 | -33.9 | 179.7 | -26.5 | 35 | 0 | 0 | 0 | 113.9 | A70 I73 A74 I92 A93 | A70-P89 HydrophobicContact CB-CB 4.3Å; A70-P89 WeakPolarHBondContact O-CB 3.39Å; I73-P89 HydrophobicContact CB-CB 4.14Å; I73-P89 HydrophobicContact CG2-CB 3.96Å; A74-P89 HydrophobicContact CB-CB 4.28Å; A74-P89 HydrophobicContact CB-CG 3.99Å; P89-I92 PolarHBondContact O-N 3.41Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.41Å |
| 90 | L | 96.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 73 Ų | 73 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.6 | -43.6 | 179.3 | 178.7 | 65.4 | 0 | 0 | 0 | 111.1 | L66 A70 D88 I92 A93 M94 | L66-L90 HydrophobicContact CB-CD1 4.14Å; A70-L90 HydrophobicContact CB-CB 4.23Å; A70-L90 HydrophobicContact CB-CD1 4.25Å; D88-L90 PolarHBondContact O-N 2.82Å; D88-L90 VanDerWaalsContact OD2-CB 3.32Å; D88-L90 WeakPolarHBondContact OD2-CB 3.42Å; D88-L90 PolarHBondContact OD2-N 3.26Å; L90-I92 VanDerWaalsContact C-N 3.29Å; L90-I92 PolarHBondContact O-N 3.01Å; L90-A93 PolarHBondContact O-N 3.48Å; L90-M94 HydrophobicContact CD1-CE 4.18Å; L90-M94 HydrophobicContact CD2-CE 4Å; L90-M94 HydrophobicContact CG-CE 3.87Å; L90-M94 WeakPolarHBondContact O-CG 3.34Å; L90-M94 PolarHBondContact O-N 2.93Å |
| 91 | Q | 95.7 | Very high | 93.6 | Very high | 100 Ų | 100 | 74 Ų | 74 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | 172.2 | -68.9 | -50.8 | -64.8 | 0 | 0 | 112.1 | D88 M94 K95 | D88-Q91 HydrophobicContact CB-CB 4.13Å; D88-Q91 HydrophobicContact CB-CG 3.95Å; D88-Q91 PolarHBondContact O-N 2.94Å; D88-Q91 WeakPolarHBondContact OD2-CG 3.4Å; D88-Q91 PolarHBondContact OD2-N 3.45Å; Q91-M94 PolarHBondContact O-N 3.26Å; Q91-K95 PolarHBondContact O-N 2.74Å |
| 92 | I | 96.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 73.6 Ų | 73.6 | 5% | 0.046 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 176.6 | -61 | 166.9 | 0 | 0 | 0 | 110.4 | I73 V79 L83 E86 D88 P89 L90 M94 K95 E96 | I73-I92 HydrophobicContact CD1-CB 4.05Å; I73-I92 HydrophobicContact CD1-CG2 3.73Å; I73-I92 HydrophobicContact CG2-CD1 4.09Å; I73-I92 HydrophobicContact CG2-CG2 4.47Å; V79-I92 HydrophobicContact CB-CG2 4.49Å; V79-I92 HydrophobicContact CG1-CG2 3.55Å; V79-I92 HydrophobicContact CG2-CG2 4.05Å; L83-I92 HydrophobicContact CD2-CB 4.43Å; L83-I92 HydrophobicContact CD2-CD1 3.83Å; L83-I92 HydrophobicContact CD2-CG1 3.71Å; L83-I92 HydrophobicContact CD2-CG2 3.85Å; E86-I92 HydrophobicContact CB-CG1 3.8Å; D88-I92 WeakPolarHBondContact O-CG1 3.43Å; D88-I92 PolarHBondContact O-N 2.73Å; P89-I92 PolarHBondContact O-N 3.41Å; L90-I92 VanDerWaalsContact C-N 3.29Å; L90-I92 PolarHBondContact O-N 3.01Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 3.37Å; I92-K95 WeakPolarHBondContact O-CB 3.46Å; I92-K95 PolarHBondContact O-N 2.8Å; I92-K95 VanDerWaalsContact O-N 3.17Å; I92-E96 WeakPolarHBondContact O-CG 3.41Å; I92-E96 PolarHBondContact O-N 3.43Å |
| 93 | A | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L66 R69 A70 I73 P89 L90 K95 E96 L97 | L66-A93 HydrophobicContact CD2-CB 4.17Å; R69-A93 HydrophobicContact CB-CB 4.06Å; R69-A93 HydrophobicContact CG-CB 3.98Å; A70-A93 HydrophobicContact CB-CB 4.23Å; I73-A93 HydrophobicContact CD1-CB 4.04Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.41Å; L90-A93 PolarHBondContact O-N 3.48Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.14Å; A93-E96 PolarHBondContact O-N 3.37Å; A93-L97 PolarHBondContact O-N 2.87Å |
| 94 | M | 94.9 | Very high | 93.8 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 31% | 0.31 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 174.2 | -71.1 | -168.9 | -169.5 | 0 | 0 | 111.7 | L66 L90 Q91 I92 L97 K98 | L66-M94 HydrophobicContact CD1-CG 4.27Å; L66-M94 HydrophobicContact CD2-CB 4.42Å; L66-M94 HydrophobicContact CD2-CG 3.94Å; L90-M94 HydrophobicContact CD1-CE 4.18Å; L90-M94 HydrophobicContact CD2-CE 4Å; L90-M94 HydrophobicContact CG-CE 3.87Å; L90-M94 WeakPolarHBondContact O-CG 3.34Å; L90-M94 PolarHBondContact O-N 2.93Å; Q91-M94 PolarHBondContact O-N 3.26Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 3.37Å; M94-L97 PolarHBondContact O-N 2.73Å; M94-K98 WeakPolarHBondContact O-CG 3.24Å; M94-K98 PolarHBondContact O-N 3.43Å |
| 95 | K | 95.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 57 Ų | 57 | 15% | 0.152 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.3 | -168.4 | 175.7 | -171 | 174.9 | 0 | 111.2 | V81 E82 E84 E86 Q91 I92 A93 L97 K98 C99 | V81-K95 HydrophobicContact CG2-CB 4.34Å; V81-K95 HydrophobicContact CG2-CD 4.12Å; V81-K95 HydrophobicContact CG2-CG 4.11Å; E82-K95 WeakPolarHBondContact O-CE 3.5Å; E82-K95 PolarHBondContact O-NZ 2.91Å; E84-K95 VanDerWaalsContact CD-NZ 3.29Å; E84-K95 IonicContact OE1-NZ 3.83Å; E84-K95 PolarHBondContact OE1-NZ 2.95Å; E86-K95 WeakPolarHBondContact OE1-CD 3.29Å; E86-K95 IonicContact OE1-NZ 2.7Å; E86-K95 PolarHBondContact OE1-NZ 3.19Å; E86-K95 IonicContact OE2-NZ 3.24Å; Q91-K95 PolarHBondContact O-N 2.74Å; I92-K95 WeakPolarHBondContact O-CB 3.46Å; I92-K95 PolarHBondContact O-N 2.8Å; I92-K95 VanDerWaalsContact O-N 3.17Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.14Å; K95-L97 PolarHBondContact O-N 2.69Å; K95-K98 PolarHBondContact O-N 3.31Å; K95-C99 PolarHBondContact O-N 2.85Å; K95-C99 PolarHBondContact O-SG 3.48Å; K95-C99 VanDerWaalsContact O-SG 3.41Å |
| 96 | E | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 174.7 | -70.7 | -172 | 164.7 | 0 | 0 | 113 | R69 V79 M80 V81 I92 A93 C99 R100 K101 I102 | R69-E96 WeakPolarHBondContact CG-OE2 3.44Å; R69-E96 IonicContact CZ-OE1 3.72Å; R69-E96 IonicContact CZ-OE2 2.8Å; R69-E96 IonicContact NE-OE1 3.76Å; R69-E96 IonicContact NE-OE2 3.14Å; R69-E96 PolarHBondContact NE-OE2 3.43Å; R69-E96 IonicContact NH2-OE1 3.4Å; R69-E96 PolarHBondContact NH2-OE1 3.33Å; R69-E96 IonicContact NH2-OE2 2.77Å; R69-E96 PolarHBondContact NH2-OE2 2.97Å; R69-E96 VanDerWaalsContact NH2-OE2 3.14Å; V79-E96 WeakPolarHBondContact CA-OE1 3.46Å; V79-E96 WeakPolarHBondContact CG1-OE1 3.38Å; M80-E96 PolarHBondContact N-OE1 3.31Å; V81-E96 HydrophobicContact CB-CG 4.31Å; V81-E96 HydrophobicContact CG1-CB 4.42Å; V81-E96 HydrophobicContact CG1-CG 3.93Å; V81-E96 HydrophobicContact CG2-CG 3.58Å; I92-E96 WeakPolarHBondContact O-CG 3.41Å; I92-E96 PolarHBondContact O-N 3.43Å; A93-E96 PolarHBondContact O-N 3.37Å; E96-C99 CarbonylContact O-C 3.53Å; E96-C99 PolarHBondContact O-N 2.94Å; E96-R100 PolarHBondContact O-N 3.06Å; E96-K101 PolarHBondContact O-N 3.46Å; E96-I102 HydrophobicContact CB-CD1 4.36Å; E96-I102 HydrophobicContact CB-CG1 3.61Å |
| 97 | L | 94.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 177 | -173.7 | 64.1 | 0 | 0 | 0 | 110.9 | M57 R62 L66 A93 M94 K95 C99 R100 I102 I125 | M57-L97 HydrophobicContact CE-CD1 4.3Å; M57-L97 HydrophobicContact SD-CD1 4.45Å; R62-L97 HydrophobicContact CG-CD2 4.03Å; L66-L97 HydrophobicContact CD1-CD2 4.17Å; L66-L97 HydrophobicContact CD2-CB 4.02Å; L66-L97 HydrophobicContact CD2-CD2 3.8Å; L66-L97 HydrophobicContact CG-CD2 3.98Å; A93-L97 PolarHBondContact O-N 2.87Å; M94-L97 PolarHBondContact O-N 2.73Å; K95-L97 PolarHBondContact O-N 2.69Å; L97-C99 VanDerWaalsContact C-N 3.29Å; L97-C99 PolarHBondContact O-N 3.2Å; L97-R100 PolarHBondContact O-N 3.39Å; L97-I102 HydrophobicContact CB-CD1 3.61Å; L97-I102 HydrophobicContact CB-CG1 4.36Å; L97-I102 HydrophobicContact CD1-CD1 3.91Å; L97-I102 HydrophobicContact CG-CD1 4.31Å; L97-I125 HydrophobicContact CD1-CD1 3.66Å; L97-I125 HydrophobicContact CD2-CD1 4.27Å; L97-I125 HydrophobicContact CG-CD1 3.73Å |
| 98 | K | 92.9 | Very high | 94.2 | Very high | 175 Ų | 175 | 47.1 Ų | 47.1 | 76% | 0.761 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.1 | -38.6 | 176 | -74.2 | 176.9 | -179.6 | 179.4 | 0 | 112 | M94 K95 R100 | M94-K98 WeakPolarHBondContact O-CG 3.24Å; M94-K98 PolarHBondContact O-N 3.43Å; K95-K98 PolarHBondContact O-N 3.31Å; K98-R100 VanDerWaalsContact C-N 3.25Å; K98-R100 PolarHBondContact O-N 2.81Å |
| 99 | C | 93.1 | Very high | 94 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 46% | 0.459 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1.8 | 174.9 | -66.6 | 0 | 0 | 0 | 0 | 114.1 | V81 K95 E96 L97 K101 | V81-C99 HydrophobicContact CG1-CB 3.82Å; K95-C99 PolarHBondContact O-N 2.85Å; K95-C99 PolarHBondContact O-SG 3.48Å; K95-C99 VanDerWaalsContact O-SG 3.41Å; E96-C99 CarbonylContact O-C 3.53Å; E96-C99 PolarHBondContact O-N 2.94Å; L97-C99 VanDerWaalsContact C-N 3.29Å; L97-C99 PolarHBondContact O-N 3.2Å; C99-K101 HydrophobicContact CB-CB 4.47Å; C99-K101 HydrophobicContact CB-CD 4.44Å; C99-K101 HydrophobicContact CB-CG 4.15Å; C99-K101 PolarHBondContact O-N 2.88Å |
| 100 | R | 92.4 | Very high | 93.7 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 48% | 0.483 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.1 | -173.6 | -58.4 | -164.4 | -175.4 | -175 | 2.7 | 113.7 | E96 L97 K98 D121 | E96-R100 PolarHBondContact O-N 3.06Å; L97-R100 PolarHBondContact O-N 3.39Å; K98-R100 VanDerWaalsContact C-N 3.25Å; K98-R100 PolarHBondContact O-N 2.81Å; R100-D121 HydrophobicContact CB-CB 4.34Å; R100-D121 WeakPolarHBondContact CD-O 3.33Å; R100-D121 PolarHBondContact NH1-O 2.85Å |
| 101 | K | 93.5 | Very high | 93.4 | Very high | 111 Ų | 111 | 50.4 Ų | 50.4 | 48% | 0.483 | 25% | 0.245 | S | C | . | . | trans | -111.1 | 9.2 | -178 | -72.1 | -166.9 | -179.4 | 177.6 | 0 | 114.1 | M80 V81 E96 C99 P103 | M80-K101 HydrophobicContact CB-CB 3.91Å; M80-K101 WeakPolarHBondContact CB-O 3.46Å; M80-K101 WeakPolarHBondContact CG-O 3.45Å; M80-K101 WeakPolarHBondContact O-CD 3.41Å; V81-K101 HydrophobicContact CG1-CB 4.36Å; V81-K101 HydrophobicContact CG1-CD 4.04Å; E96-K101 PolarHBondContact O-N 3.46Å; C99-K101 HydrophobicContact CB-CB 4.47Å; C99-K101 HydrophobicContact CB-CD 4.44Å; C99-K101 HydrophobicContact CB-CG 4.15Å; C99-K101 PolarHBondContact O-N 2.88Å; K101-P103 WeakPolarHBondContact O-CD 3.46Å | ||
| 102 | I | 94 | Very high | 92.8 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | -69.2 | 122.3 | 177.1 | -64 | -170.8 | 0 | 0 | 0 | 109.4 | V65 R69 E96 L97 I104 C120 | V65-I102 HydrophobicContact CG1-CD1 3.74Å; V65-I102 HydrophobicContact CG1-CG2 3.95Å; R69-I102 HydrophobicContact CB-CD1 4.41Å; R69-I102 HydrophobicContact CB-CG2 4.38Å; R69-I102 HydrophobicContact CG-CD1 4.27Å; R69-I102 HydrophobicContact CG-CG1 4.41Å; R69-I102 HydrophobicContact CG-CG2 4.17Å; E96-I102 HydrophobicContact CB-CD1 4.36Å; E96-I102 HydrophobicContact CB-CG1 3.61Å; L97-I102 HydrophobicContact CB-CD1 3.61Å; L97-I102 HydrophobicContact CB-CG1 4.36Å; L97-I102 HydrophobicContact CD1-CD1 3.91Å; L97-I102 HydrophobicContact CG-CD1 4.31Å; I102-I104 HydrophobicContact CG2-CB 3.65Å; I102-I104 HydrophobicContact CG2-CD1 3.64Å; I102-I104 HydrophobicContact CG2-CG1 3.62Å; I102-I104 PolarHBondContact O-N 3.42Å; I102-C120 HydrophobicContact CB-CB 4.47Å | ||
| 103 | P | 93.3 | Very high | 92.4 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | trans | -83.1 | 54.5 | -178.8 | 35.5 | -35.1 | 0 | 0 | 0 | 111.5 | A41 M80 K101 | A41-P103 HydrophobicContact CB-CB 3.98Å; A41-P103 WeakPolarHBondContact CB-O 3.42Å; A41-P103 PolarHBondContact N-O 2.89Å; M80-P103 HydrophobicContact CG-CG 4.27Å; K101-P103 WeakPolarHBondContact O-CD 3.46Å | ||
| 104 | I | 92.6 | Very high | 92 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.4 | -176.7 | -70.4 | 178 | 0 | 0 | 0 | 110.7 | I38 L39 V65 T68 R69 I102 C120 | I38-I104 HydrophobicContact CD1-CG2 4.48Å; I38-I104 HydrophobicContact CG2-CD1 4.19Å; I38-I104 HydrophobicContact CG2-CG1 4.42Å; I38-I104 HydrophobicContact CG2-CG2 3.37Å; L39-I104 CarbonylContact O-C 3.57Å; L39-I104 WeakPolarHBondContact O-CA 3.35Å; V65-I104 HydrophobicContact CG1-CD1 4.39Å; V65-I104 HydrophobicContact CG2-CG2 4.2Å; T68-I104 HydrophobicContact CG2-CD1 4.32Å; R69-I104 HydrophobicContact CB-CD1 4.05Å; I102-I104 HydrophobicContact CG2-CB 3.65Å; I102-I104 HydrophobicContact CG2-CD1 3.64Å; I102-I104 HydrophobicContact CG2-CG1 3.62Å; I102-I104 PolarHBondContact O-N 3.42Å; I104-C120 PolarHBondContact O-N 2.77Å; I104-C120 VanDerWaalsContact O-N 3.14Å; I104-C120 PolarHBondContact O-SG 3.03Å |
| 105 | I | 92.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.1 | 172.2 | -63.3 | 169.9 | 0 | 0 | 0 | 108.7 | L39 D117 W118 | L39-I105 HydrophobicContact CB-CB 4.19Å; L39-I105 PolarHBondContact N-O 3.21Å; L39-I105 PolarHBondContact O-N 2.99Å; I105-D117 HydrophobicContact CG2-CB 3.86Å; I105-W118 CarbonylContact C-O 3.59Å; I105-W118 WeakPolarHBondContact CA-O 3.43Å |
| 106 | I | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.8 | 172.8 | -65.7 | 161.4 | 0 | 0 | 0 | 107.8 | V36 I38 M57 E61 V65 R108 W118 L123 | V36-I106 HydrophobicContact CG1-CG2 3.64Å; I38-I106 HydrophobicContact CD1-CG1 3.99Å; M57-I106 HydrophobicContact CE-CD1 3.94Å; E61-I106 HydrophobicContact CB-CD1 3.95Å; E61-I106 HydrophobicContact CG-CD1 4.25Å; E61-I106 HydrophobicContact CG-CG2 3.96Å; V65-I106 HydrophobicContact CG2-CD1 3.83Å; V65-I106 HydrophobicContact CG2-CG1 3.9Å; I106-R108 HydrophobicContact CG2-CG 4.16Å; I106-W118 PolarHBondContact N-O 3.24Å; I106-W118 PolarHBondContact O-N 3.36Å; I106-L123 HydrophobicContact CD1-CD1 3.46Å; I106-L123 VanDerWaalsContact CD1-CD1 3.46Å |
| 107 | R | 93 | Very high | 91.5 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 12% | 0.117 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117.2 | 170.8 | 174.2 | 168.8 | -67.5 | 176.6 | 1.7 | 109.5 | V36 K37 L39 Y109 Y115 E116 D117 | V36-R107 CarbonylContact C-O 3.6Å; V36-R107 VanDerWaalsContact CA-O 3.3Å; V36-R107 WeakPolarHBondContact CA-O 3.46Å; K37-R107 HydrophobicContact CB-CB 4.18Å; K37-R107 PolarHBondContact N-O 3.43Å; K37-R107 PolarHBondContact O-N 3.48Å; L39-R107 HydrophobicContact CD1-CB 4.07Å; R107-Y109 WeakPolarHBondContact CD-OH 3.33Å; R107-Y109 HydrophobicContact CG-CD2 4.48Å; R107-Y109 HydrophobicContact CG-CE2 4.01Å; R107-Y115 HydrophobicContact CG-CD2 3.9Å; R107-Y115 HydrophobicContact CG-CG 3.96Å; R107-E116 CarbonylContact C-O 3.53Å; R107-E116 WeakPolarHBondContact CA-O 3.39Å; R107-D117 WeakPolarHBondContact CB-OD1 3.34Å; R107-D117 WeakPolarHBondContact CG-OD1 3.48Å; R107-D117 IonicContact CZ-OD1 2.83Å; R107-D117 IonicContact CZ-OD2 2.68Å; R107-D117 IonicContact NE-OD1 3.64Å; R107-D117 PolarHBondContact NE-OD1 2.99Å; R107-D117 IonicContact NE-OD2 2.65Å; R107-D117 IonicContact NH2-OD1 2.82Å; R107-D117 PolarHBondContact NH2-OD1 2.73Å; R107-D117 IonicContact NH2-OD2 3.33Å; R107-D117 PolarHBondContact NH2-OD2 3.41Å |
| 108 | R | 92.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 6% | 0.06 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.5 | 175.2 | -65.2 | 176.9 | 175.6 | 171.9 | -4.5 | 110.2 | T53 T54 Y56 E61 I106 Y115 E116 | T53-R108 WeakPolarHBondContact OG1-CD 3.27Å; T53-R108 PolarHBondContact OG1-NH1 3.43Å; T53-R108 VanDerWaalsContact OG1-NH1 3.11Å; T54-R108 PolarHBondContact O-NH1 2.93Å; Y56-R108 PolarHBondContact O-NH2 2.87Å; E61-R108 IonicContact OE1-CZ 2.96Å; E61-R108 VanDerWaalsContact OE1-CZ 3.31Å; E61-R108 IonicContact OE1-NE 2.86Å; E61-R108 PolarHBondContact OE1-NE 2.85Å; E61-R108 IonicContact OE1-NH2 3.31Å; E61-R108 PolarHBondContact OE1-NH2 3.14Å; E61-R108 VanDerWaalsContact OE1-NH2 3.14Å; E61-R108 IonicContact OE2-CZ 2.75Å; E61-R108 IonicContact OE2-NE 3.77Å; E61-R108 IonicContact OE2-NH2 3.71Å; E61-R108 PolarHBondContact OE2-NH2 3.25Å; I106-R108 HydrophobicContact CG2-CG 4.16Å; R108-Y115 CarbonylContact O-C 3.56Å; R108-Y115 WeakPolarHBondContact O-CA 3.44Å; R108-Y115 WeakPolarHBondContact O-CB 3.34Å; R108-E116 PolarHBondContact N-O 2.97Å; R108-E116 PolarHBondContact O-N 3.04Å |
| 109 | Y | 90.9 | Very high | 91.4 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.5 | 175.7 | -68.3 | -84 | 0 | 0 | 0 | 110.8 | N35 K37 R107 S114 Y115 | N35-Y109 PolarHBondContact ND2-O 2.93Å; N35-Y109 WeakPolarHBondContact O-CD2 3.16Å; N35-Y109 PolarHBondContact O-N 3.32Å; K37-Y109 HydrophobicContact CB-CE2 3.89Å; R107-Y109 WeakPolarHBondContact CD-OH 3.33Å; R107-Y109 HydrophobicContact CG-CD2 4.48Å; R107-Y109 HydrophobicContact CG-CE2 4.01Å; Y109-S114 CarbonylContact C-O 3.54Å; Y109-S114 WeakPolarHBondContact CA-O 3.44Å; Y109-Y115 HydrophobicContact CE1-CD1 4.19Å; Y109-Y115 HydrophobicContact CE1-CG 4.43Å |
| 110 | L | 89.8 | Confident | 91.3 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -85.4 | 159.8 | 173.3 | -66.6 | 178.5 | 0 | 0 | 0 | 110.3 | I52 T53 D112 G113 S114 | I52-L110 HydrophobicContact CD1-CD1 3.89Å; I52-L110 HydrophobicContact CD1-CD2 4.08Å; I52-L110 HydrophobicContact CG1-CD1 4.12Å; I52-L110 HydrophobicContact CG1-CD2 4.32Å; T53-L110 HydrophobicContact CG2-CD2 3.77Å; L110-D112 WeakPolarHBondContact CB-OD1 3.26Å; L110-D112 PolarHBondContact O-N 3.5Å; L110-D112 VanDerWaalsContact O-N 3.08Å; L110-G113 PolarHBondContact O-N 2.88Å; L110-S114 WeakPolarHBondContact CD1-OG 3.17Å; L110-S114 PolarHBondContact N-O 3.27Å |
| 111 | P | 89.3 | Confident | 91.1 | Very high | 137 Ų | 137 | 44.7 Ų | 44.7 | 89% | 0.89 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.6 | -179.2 | -25 | 34.9 | 0 | 0 | 0 | 114.7 | G113 | P111-G113 PolarHBondContact O-N 3.29Š|
| 112 | D | 85.1 | Confident | 91 | Very high | 125 Ų | 125 | 43.2 Ų | 43.2 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.6 | 175.1 | 67.3 | -7.3 | 0 | 0 | 0 | 113.3 | L110 S114 | L110-D112 WeakPolarHBondContact CB-OD1 3.26Å; L110-D112 PolarHBondContact O-N 3.5Å; L110-D112 VanDerWaalsContact O-N 3.08Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 VanDerWaalsContact CG-OG 3.28Å; D112-S114 PolarHBondContact O-N 3.43Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.33Å; D112-S114 PolarHBondContact OD1-N 3.26Å; D112-S114 PolarHBondContact OD1-OG 3.13Å; D112-S114 PolarHBondContact OD2-OG 3.49Å |
| 113 | G | 85.8 | Confident | 90.9 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 56% | 0.557 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 81.9 | -3.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L110 P111 | L110-G113 PolarHBondContact O-N 2.88Å; P111-G113 PolarHBondContact O-N 3.29Å |
| 114 | S | 89.1 | Confident | 90.9 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | trans | -71.2 | 169.6 | 169.3 | 73.4 | 0 | 0 | 0 | 0 | 110.6 | Y109 L110 D112 | Y109-S114 CarbonylContact C-O 3.54Å; Y109-S114 WeakPolarHBondContact CA-O 3.44Å; L110-S114 WeakPolarHBondContact CD1-OG 3.17Å; L110-S114 PolarHBondContact N-O 3.27Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 VanDerWaalsContact CG-OG 3.28Å; D112-S114 PolarHBondContact O-N 3.43Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.33Å; D112-S114 PolarHBondContact OD1-N 3.26Å; D112-S114 PolarHBondContact OD1-OG 3.13Å; D112-S114 PolarHBondContact OD2-OG 3.49Å | ||
| 115 | Y | 90.8 | Very high | 90.7 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156.4 | -177.1 | 61.2 | -95.8 | 0 | 0 | 0 | 113.5 | R107 R108 Y109 | R107-Y115 HydrophobicContact CG-CD2 3.9Å; R107-Y115 HydrophobicContact CG-CG 3.96Å; R108-Y115 CarbonylContact O-C 3.56Å; R108-Y115 WeakPolarHBondContact O-CA 3.44Å; R108-Y115 WeakPolarHBondContact O-CB 3.34Å; Y109-Y115 HydrophobicContact CE1-CD1 4.19Å; Y109-Y115 HydrophobicContact CE1-CG 4.43Å |
| 116 | E | 91.4 | Very high | 90.1 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124 | 174.4 | -62.1 | -178.4 | 178.9 | 0 | 0 | 109.9 | R51 I52 T53 R107 R108 W118 | R51-E116 WeakPolarHBondContact CA-OE1 3.38Å; R51-E116 HydrophobicContact CB-CG 4.49Å; R51-E116 HydrophobicContact CG-CG 4.35Å; I52-E116 VanDerWaalsContact CG1-OE1 3.23Å; I52-E116 WeakPolarHBondContact CG1-OE1 3.36Å; I52-E116 PolarHBondContact N-OE1 3.17Å; T53-E116 VanDerWaalsContact CB-OE2 3.24Å; T53-E116 WeakPolarHBondContact CB-OE2 3.03Å; T53-E116 VanDerWaalsContact CG2-OE2 3.29Å; T53-E116 WeakPolarHBondContact CG2-OE2 3.34Å; T53-E116 PolarHBondContact N-OE1 3.45Å; T53-E116 PolarHBondContact N-OE2 3.38Å; T53-E116 VanDerWaalsContact N-OE2 3.15Å; T53-E116 PolarHBondContact OG1-OE2 3.22Å; R107-E116 CarbonylContact C-O 3.53Å; R107-E116 WeakPolarHBondContact CA-O 3.39Å; R108-E116 PolarHBondContact N-O 2.97Å; R108-E116 PolarHBondContact O-N 3.04Å; E116-W118 PolarHBondContact OE2-NE1 3.46Å |
| 117 | D | 91.9 | Very high | 88.6 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121 | 175.5 | -71 | -16.8 | 0 | 0 | 0 | 109.7 | S45 R51 I105 R107 | S45-D117 PolarHBondContact N-OD2 2.7Å; R51-D117 PolarHBondContact NE-O 3.28Å; R51-D117 PolarHBondContact NH2-O 3.21Å; I105-D117 HydrophobicContact CG2-CB 3.86Å; R107-D117 WeakPolarHBondContact CB-OD1 3.34Å; R107-D117 WeakPolarHBondContact CG-OD1 3.48Å; R107-D117 IonicContact CZ-OD1 2.83Å; R107-D117 IonicContact CZ-OD2 2.68Å; R107-D117 IonicContact NE-OD1 3.64Å; R107-D117 PolarHBondContact NE-OD1 2.99Å; R107-D117 IonicContact NE-OD2 2.65Å; R107-D117 IonicContact NH2-OD1 2.82Å; R107-D117 PolarHBondContact NH2-OD1 2.73Å; R107-D117 IonicContact NH2-OD2 3.33Å; R107-D117 PolarHBondContact NH2-OD2 3.41Å |
| 118 | W | 92.2 | Very high | 88.4 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.3 | 177.9 | -69.5 | 87.1 | 0 | 0 | 0 | 111.2 | R51 T53 Q55 I105 I106 E116 E122 L123 | R51-W118 HydrophobicContact CB-CH2 4.43Å; R51-W118 HydrophobicContact CB-CZ2 3.81Å; R51-W118 VanDerWaalsContact CD-CE2 3.47Å; R51-W118 VanDerWaalsContact CD-CZ2 3.4Å; R51-W118 HydrophobicContact CG-CZ2 4.25Å; T53-W118 PolarHBondContact OG1-NE1 2.9Å; Q55-W118 HydrophobicContact CB-CH2 4.29Å; Q55-W118 HydrophobicContact CB-CZ3 4.32Å; I105-W118 CarbonylContact C-O 3.59Å; I105-W118 WeakPolarHBondContact CA-O 3.43Å; I106-W118 PolarHBondContact N-O 3.24Å; I106-W118 PolarHBondContact O-N 3.36Å; E116-W118 PolarHBondContact OE2-NE1 3.46Å; W118-E122 WeakPolarHBondContact CA-OE1 3.39Å; W118-E122 HydrophobicContact CE3-CG 4.08Å; W118-L123 HydrophobicContact CB-CD1 4.03Å; W118-L123 HydrophobicContact CB-CD2 4.07Å; W118-L123 HydrophobicContact CB-CG 4.06Å; W118-L123 HydrophobicContact CD2-CD2 3.81Å; W118-L123 HydrophobicContact CE3-CD2 3.58Å; W118-L123 HydrophobicContact CE3-CG 4.29Å; W118-L123 HydrophobicContact CG-CD2 4.06Å; W118-L123 HydrophobicContact CZ3-CD2 4.27Å |
| 119 | G | 92.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 9% | 0.093 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 143.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D121 E122 L123 | G119-D121 WeakPolarHBondContact CA-OD1 3.45Å; G119-D121 PolarHBondContact O-N 3.09Å; G119-E122 PolarHBondContact N-OE1 3.02Å; G119-E122 WeakPolarHBondContact O-CG 3.32Å; G119-E122 PolarHBondContact O-N 2.88Å; G119-L123 PolarHBondContact O-N 2.72Å |
| 120 | C | 90.9 | Very high | 88 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.02 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.7 | 174.8 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | M57 I102 I104 | M57-C120 HydrophobicContact CE-CB 4.35Å; I102-C120 HydrophobicContact CB-CB 4.47Å; I104-C120 PolarHBondContact O-N 2.77Å; I104-C120 VanDerWaalsContact O-N 3.14Å; I104-C120 PolarHBondContact O-SG 3.03Å |
| 121 | D | 90.3 | Very high | 87.9 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -26.9 | 179.6 | 61.2 | -48.2 | 0 | 0 | 0 | 113.9 | R100 G119 | R100-D121 HydrophobicContact CB-CB 4.34Å; R100-D121 WeakPolarHBondContact CD-O 3.33Å; R100-D121 PolarHBondContact NH1-O 2.85Å; G119-D121 WeakPolarHBondContact CA-OD1 3.45Å; G119-D121 PolarHBondContact O-N 3.09Å |
| 122 | E | 90.6 | Very high | 87.8 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 38% | 0.379 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -20.9 | 179.7 | 57.9 | 174 | 164.2 | 0 | 0 | 114.2 | R51 W118 G119 | R51-E122 IonicContact CZ-OE1 3.43Å; R51-E122 IonicContact CZ-OE2 3.69Å; R51-E122 IonicContact NH1-OE1 3.83Å; R51-E122 PolarHBondContact NH1-OE1 3Å; R51-E122 IonicContact NH1-OE2 3.14Å; R51-E122 PolarHBondContact NH1-OE2 2.94Å; R51-E122 IonicContact NH2-OE1 3.05Å; R51-E122 PolarHBondContact NH2-OE1 3.22Å; R51-E122 IonicContact NH2-OE2 3.68Å; W118-E122 WeakPolarHBondContact CA-OE1 3.39Å; W118-E122 HydrophobicContact CE3-CG 4.08Å; G119-E122 PolarHBondContact N-OE1 3.02Å; G119-E122 WeakPolarHBondContact O-CG 3.32Å; G119-E122 PolarHBondContact O-N 2.88Å |
| 123 | L | 92 | Very high | 88 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -75.7 | 143.8 | 179.4 | -70.1 | 170.4 | 0 | 0 | 0 | 112.4 | M57 I106 W118 G119 | M57-L123 HydrophobicContact CB-CB 4.06Å; M57-L123 HydrophobicContact CB-CD1 4.29Å; M57-L123 HydrophobicContact CE-CB 4.1Å; M57-L123 HydrophobicContact CE-CD1 3.9Å; M57-L123 HydrophobicContact CG-CD1 4.4Å; I106-L123 HydrophobicContact CD1-CD1 3.46Å; I106-L123 VanDerWaalsContact CD1-CD1 3.46Å; W118-L123 HydrophobicContact CB-CD1 4.03Å; W118-L123 HydrophobicContact CB-CD2 4.07Å; W118-L123 HydrophobicContact CB-CG 4.06Å; W118-L123 HydrophobicContact CD2-CD2 3.81Å; W118-L123 HydrophobicContact CE3-CD2 3.58Å; W118-L123 HydrophobicContact CE3-CG 4.29Å; W118-L123 HydrophobicContact CG-CD2 4.06Å; W118-L123 HydrophobicContact CZ3-CD2 4.27Å; G119-L123 PolarHBondContact O-N 2.72Å |
| 124 | I | 92.6 | Very high | 88.2 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -83.2 | 119.5 | 172.9 | -58.9 | -174.6 | 0 | 0 | 0 | 109 | Q55 Y56 M57 | Q55-I124 HydrophobicContact CG-CD1 4.12Å; Q55-I124 PolarHBondContact O-N 3.18Å; Y56-I124 CarbonylContact C-O 3.46Å; Y56-I124 WeakPolarHBondContact CA-O 3.47Å; Y56-I124 HydrophobicContact CD1-CB 3.8Å; Y56-I124 HydrophobicContact CD1-CG2 3.69Å; Y56-I124 HydrophobicContact CE1-CB 4.07Å; Y56-I124 HydrophobicContact CE1-CD1 4.32Å; Y56-I124 HydrophobicContact CE1-CG2 3.62Å; Y56-I124 HydrophobicContact CG-CB 4.37Å; M57-I124 PolarHBondContact N-O 3.24Å |
| 125 | I | 89 | Confident | 88.1 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 121.9 | 174.4 | -54.3 | 168.4 | 0 | 0 | 0 | 107.7 | M57 L97 | M57-I125 HydrophobicContact CB-CG1 4.43Å; M57-I125 HydrophobicContact CE-CG1 4.33Å; M57-I125 HydrophobicContact SD-CG1 4.06Å; L97-I125 HydrophobicContact CD1-CD1 3.66Å; L97-I125 HydrophobicContact CD2-CD1 4.27Å; L97-I125 HydrophobicContact CG-CD1 3.73Å |
| 126 | T | 79.8 | Confident | 87.9 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 52% | 0.515 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 128.2 | 166.2 | 52 | 0 | 0 | 0 | 0 | 108.2 | Y56 R62 | Y56-T126 HydrophobicContact CD1-CG2 3.81Å; Y56-T126 HydrophobicContact CE1-CG2 4.1Å; R62-T126 PolarHBondContact NH1-O 3.33Å |
| 127 | D | 62 | Low | 87.6 | Confident | 201 Ų | 201 | 55.9 Ų | 55.9 | 100% | 1.075 | 30% | 0.299 | S | S | * | . | trans | -69 | 0 | 177.2 | -163.6 | -129.4 | 0 | 0 | 0 | 111.1 | R62 | R62-D127 PolarHBondContact NH1-OXT 3.46Š|
Retrieved 127 of 127 residues in 128.7 ms
(Link to these results)