| 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 | A | 42 | Very low | 45.5 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 100% | 1.281 | 82% | 0.82 | S | S | * | * | 0 | 114.6 | 0 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 2 | A | 40.5 | Very low | 45.1 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -153.8 | 91.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 3 | E | 44.9 | Very low | 44.9 | Very low | 193 Ų | 193 | 135.1 Ų | 135.1 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 144.6 | 168.8 | -57.8 | -175.2 | 119 | 0 | 0 | 107.4 | ||||
| 4 | M | 57.2 | Low | 45.1 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 97% | 0.97 | 82% | 0.815 | S | S | * | * | trans | -140.2 | 126.2 | 159.7 | 59.7 | -175.4 | -178.2 | 0 | 0 | 108.6 | ||||
| 5 | D | 50.3 | Low | 44.8 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -105 | 158.2 | -165 | 173.1 | -114.6 | 0 | 0 | 0 | 110.5 | ||||
| 6 | D | 47.7 | Very low | 44.7 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | 20.5 | 143.4 | 158 | -76 | -129 | 0 | 0 | 0 | 121 | ||||
| 7 | G | 44.9 | Very low | 44.2 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | cis | 149.4 | 152.9 | 21.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 8 | D | 41.1 | Very low | 44.3 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -166.7 | 122.5 | 154.5 | -161.1 | -118 | 0 | 0 | 0 | 110.9 | ||||
| 9 | E | 45.1 | Very low | 43.9 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 73% | 0.729 | 82% | 0.816 | S | S | * | * | trans | -121.9 | 144.1 | 168.8 | -148.9 | -83.5 | 119.5 | 0 | 0 | 104.8 | G11 | E9-G11 VanDerWaalsContact CD-N 3.31Å; E9-G11 PolarHBondContact OE1-N 3.04Å; E9-G11 PolarHBondContact OE2-N 2.93Å | ||
| 10 | P | 48.7 | Very low | 44 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | -152.2 | 129.2 | 119 | 31 | -11.2 | 0 | 0 | 0 | 115.2 | |||||
| 11 | G | 38.5 | Very low | 43.7 | Very low | 43 Ų | 43 | 132.5 Ų | 132.5 | 44% | 0.443 | 82% | 0.819 | S | S | . | * | 112.4 | 131.5 | 90.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | E9 | E9-G11 VanDerWaalsContact CD-N 3.31Å; E9-G11 PolarHBondContact OE1-N 3.04Å; E9-G11 PolarHBondContact OE2-N 2.93Å | |||
| 12 | L | 40.5 | Very low | 43.6 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 81.9 | 137.6 | 144.7 | -54.2 | 170.7 | 0 | 0 | 0 | 117.5 | ||||
| 13 | V | 42.8 | Very low | 44 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | -166.4 | 143.7 | 2.3 | -98.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 14 | L | 47.8 | Very low | 44 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 34.4 | 126.5 | 140.1 | -64 | 153.6 | 0 | 0 | 0 | 121.5 | ||||
| 15 | S | 39.4 | Very low | 44 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | 175.5 | 136.8 | 101.8 | 41.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 16 | H | 43.8 | Very low | 44.4 | Very low | 179 Ų | 179 | 122 Ų | 122 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -62.4 | 146.4 | 171.9 | -86.1 | 145.6 | 0 | 0 | 0 | 112.8 | ||||
| 17 | S | 36.8 | Very low | 45.4 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -156.8 | 111 | 137.9 | -78.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 18 | T | 44.4 | Very low | 46.6 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -73 | 123.9 | 167.9 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 19 | S | 38.5 | Very low | 48.2 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -161.2 | 108.8 | 147 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 20 | S | 45.5 | Very low | 49.7 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | 62.1 | 98.6 | 125.8 | -43.9 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 21 | G | 36.7 | Very low | 51.3 | Low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -167.1 | 92.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 22 | S | 40.5 | Very low | 53.3 | Low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -46.9 | 141.1 | 175.1 | -52.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 23 | K | 49.2 | Very low | 55.7 | Low | 201 Ų | 201 | 135 Ų | 135 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 66.3 | 133.9 | 155.9 | -57.5 | 173 | -176.8 | 178.2 | 0 | 114 | ||||
| 24 | S | 44.7 | Very low | 57.9 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -171.7 | 154.4 | 48.9 | 35.8 | 0 | 0 | 0 | 0 | 108.1 | G26 | S24-G26 PolarHBondContact O-N 2.91Š| ||
| 25 | G | 56.3 | Low | 60.1 | Low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -48.2 | 137.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D27 | G25-D27 VanDerWaalsContact C-N 3.33Å; G25-D27 PolarHBondContact O-N 3.28Å | ||
| 26 | G | 60.5 | Low | 62.5 | Low | 80 Ų | 80 | 139.1 Ų | 139.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -58.2 | 99.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | S24 K28 | S24-G26 PolarHBondContact O-N 2.91Å; G26-K28 PolarHBondContact O-N 3.4Å | ||
| 27 | D | 66.8 | Low | 64.7 | Low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -51.8 | 121.2 | 175.1 | -116.7 | -71.2 | 0 | 0 | 0 | 108.4 | G25 M29 | G25-D27 VanDerWaalsContact C-N 3.33Å; G25-D27 PolarHBondContact O-N 3.28Å; D27-M29 PolarHBondContact O-N 3.29Å | ||
| 28 | K | 70.9 | Confident | 67.3 | Low | 190 Ų | 190 | 134.1 Ų | 134.1 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -58.9 | 115.6 | -176.4 | -67.3 | -177.8 | 179.6 | -180 | 0 | 108.2 | G26 F30 | G26-K28 PolarHBondContact O-N 3.4Å; K28-F30 PolarHBondContact O-N 2.93Å | ||
| 29 | M | 74 | Confident | 69.2 | Low | 162 Ų | 162 | 132.2 Ų | 132.2 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -66 | 0.2 | -160.9 | -153.4 | 162.9 | 74.7 | 0 | 0 | 115.8 | D27 | D27-M29 PolarHBondContact O-N 3.29Š|
| 30 | F | 77.3 | Confident | 70.9 | Confident | 184 Ų | 184 | 136.2 Ų | 136.2 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -147.1 | 119.9 | 171.4 | -62.8 | -78 | 0 | 0 | 0 | 111.1 | K28 | K28-F30 PolarHBondContact O-N 2.93Š| ||
| 31 | S | 82.1 | Confident | 72.7 | Confident | 91 Ų | 91 | 139.2 Ų | 139.2 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -109.8 | 112.3 | 172.5 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | K33 | S31-K33 PolarHBondContact O-N 2.79Å; S31-K33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | L | 81.8 | Confident | 73.9 | Confident | 144 Ų | 144 | 140.5 Ų | 140.5 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -68.2 | 105.7 | 172.4 | -174 | 70.6 | 0 | 0 | 0 | 109 | W35 | L32-W35 HydrophobicContact CD1-CB 4.48Å; L32-W35 HydrophobicContact CD2-CB 4.11Å; L32-W35 HydrophobicContact CG-CB 4.49Å | ||
| 33 | K | 89.8 | Confident | 75.2 | Confident | 198 Ų | 198 | 143.8 Ų | 143.8 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -77.6 | -41.2 | -175.6 | -68.8 | -176.2 | 177.5 | 178.5 | 0 | 113 | S31 | S31-K33 PolarHBondContact O-N 2.79Å; S31-K33 VanDerWaalsContact O-N 3.11Å | ||
| 34 | K | 89.5 | Confident | 75.9 | Confident | 164 Ų | 164 | 141.9 Ų | 141.9 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -159.9 | 135.7 | -179.3 | -169.9 | 175.6 | -178.7 | 177.2 | 0 | 108.9 | N36 | K34-N36 WeakPolarHBondContact CE-OD1 3.16Š| ||
| 35 | W | 93.7 | Very high | 76.6 | Confident | 195 Ų | 195 | 139.1 Ų | 139.1 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | trans | -124.9 | 129.3 | 174.7 | -161.3 | 60 | 0 | 0 | 0 | 108.7 | L32 A37 | L32-W35 HydrophobicContact CD1-CB 4.48Å; L32-W35 HydrophobicContact CD2-CB 4.11Å; L32-W35 HydrophobicContact CG-CB 4.49Å; W35-A37 HydrophobicContact CD2-CB 4.12Å; W35-A37 HydrophobicContact CE3-CB 3.69Å; W35-A37 HydrophobicContact CH2-CB 3.43Å; W35-A37 VanDerWaalsContact CH2-CB 3.43Å; W35-A37 HydrophobicContact CZ2-CB 3.86Å; W35-A37 HydrophobicContact CZ3-CB 3.34Å | ||
| 36 | N | 89.2 | Confident | 76.8 | Confident | 123 Ų | 123 | 145 Ų | 145 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | trans | -119.9 | 92.5 | 173.7 | -53 | -78.5 | 0 | 0 | 0 | 106.8 | K34 | K34-N36 WeakPolarHBondContact CE-OD1 3.16Š| ||
| 37 | A | 90.4 | Very high | 77.1 | Confident | 63 Ų | 63 | 143 Ų | 143 | 52% | 0.521 | 72% | 0.721 | S | S | . | * | trans | -83.2 | 137.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | W35 | W35-A37 HydrophobicContact CD2-CB 4.12Å; W35-A37 HydrophobicContact CE3-CB 3.69Å; W35-A37 HydrophobicContact CH2-CB 3.43Å; W35-A37 VanDerWaalsContact CH2-CB 3.43Å; W35-A37 HydrophobicContact CZ2-CB 3.86Å; W35-A37 HydrophobicContact CZ3-CB 3.34Å | ||
| 38 | V | 91 | Very high | 77.8 | Confident | 136 Ų | 136 | 140 Ų | 140 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | -121.6 | 128.5 | 169 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 39 | A | 85.6 | Confident | 78.8 | Confident | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 68% | 0.683 | S | S | * | * | trans | -124.3 | 141.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 40 | M | 73.8 | Confident | 79.7 | Confident | 188 Ų | 188 | 126.1 Ų | 126.1 | 93% | 0.926 | 65% | 0.645 | S | S | * | * | trans | -106.6 | 141.8 | 163.3 | -63.4 | -178 | -120.7 | 0 | 0 | 106.7 | ||||
| 41 | W | 82.3 | Confident | 80.5 | Confident | 191 Ų | 191 | 119 Ų | 119 | 72% | 0.723 | 62% | 0.619 | S | S | * | * | trans | -125.4 | 145.1 | 176.4 | 64.9 | -88.4 | 0 | 0 | 0 | 108.7 | W43 | W41-W43 AromaticContact CH2-CE2 3.79Å; W41-W43 AromaticContact CH2-CZ2 3.78Å; W41-W43 HydrophobicContact CH2-CZ2 3.78Å; W41-W43 AromaticContact CH2-NE1 3.73Å; W41-W43 AromaticContact CZ3-CD1 3.86Å; W41-W43 AromaticContact CZ3-CD2 3.78Å; W41-W43 HydrophobicContact CZ3-CD2 3.78Å; W41-W43 AromaticContact CZ3-CE2 3.34Å; W41-W43 HydrophobicContact CZ3-CE3 4.44Å; W41-W43 HydrophobicContact CZ3-CG 4.1Å; W41-W43 HydrophobicContact CZ3-CH2 4.32Å; W41-W43 AromaticContact CZ3-CZ2 3.64Å; W41-W43 HydrophobicContact CZ3-CZ2 3.64Å; W41-W43 AromaticContact CZ3-NE1 3.4Å | ||
| 42 | S | 62.8 | Low | 81.1 | Confident | 105 Ų | 105 | 117.2 Ų | 117.2 | 73% | 0.734 | 60% | 0.602 | S | S | * | * | trans | -124.8 | 156.5 | 167.3 | 58.2 | 0 | 0 | 0 | 0 | 107.9 | D44 | S42-D44 PolarHBondContact O-N 3.35Š| ||
| 43 | W | 67.2 | Low | 81.7 | Confident | 177 Ų | 177 | 111.7 Ų | 111.7 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | trans | -70.9 | 121.3 | 164.8 | -62.3 | 110.5 | 0 | 0 | 0 | 107.8 | W41 V45 | W41-W43 AromaticContact CH2-CE2 3.79Å; W41-W43 AromaticContact CH2-CZ2 3.78Å; W41-W43 HydrophobicContact CH2-CZ2 3.78Å; W41-W43 AromaticContact CH2-NE1 3.73Å; W41-W43 AromaticContact CZ3-CD1 3.86Å; W41-W43 AromaticContact CZ3-CD2 3.78Å; W41-W43 HydrophobicContact CZ3-CD2 3.78Å; W41-W43 AromaticContact CZ3-CE2 3.34Å; W41-W43 HydrophobicContact CZ3-CE3 4.44Å; W41-W43 HydrophobicContact CZ3-CG 4.1Å; W41-W43 HydrophobicContact CZ3-CH2 4.32Å; W41-W43 AromaticContact CZ3-CZ2 3.64Å; W41-W43 HydrophobicContact CZ3-CZ2 3.64Å; W41-W43 AromaticContact CZ3-NE1 3.4Å; W43-V45 HydrophobicContact CB-CG2 4.11Å; W43-V45 PolarHBondContact O-N 2.9Å | ||
| 44 | D | 63.4 | Low | 81.8 | Confident | 162 Ų | 162 | 111.9 Ų | 111.9 | 87% | 0.866 | 57% | 0.571 | S | S | * | * | trans | -77.6 | 78 | 167.5 | -173.3 | 31.2 | 0 | 0 | 0 | 107.8 | S42 | S42-D44 PolarHBondContact O-N 3.35Š| ||
| 45 | V | 60.4 | Low | 82.1 | Confident | 56 Ų | 56 | 104.9 Ų | 104.9 | 34% | 0.339 | 54% | 0.542 | S | S | . | . | trans | -118.3 | 113 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 107.1 | W43 C47 | W43-V45 HydrophobicContact CB-CG2 4.11Å; W43-V45 PolarHBondContact O-N 2.9Å; V45-C47 PolarHBondContact O-N 2.96Å | ||
| 46 | E | 60.7 | Low | 82 | Confident | 189 Ų | 189 | 100.8 Ų | 100.8 | 88% | 0.883 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -59.9 | -11.7 | 176.9 | -75.1 | -179 | 135.5 | 0 | 0 | 113.3 | ||
| 47 | C | 66.6 | Low | 82.1 | Confident | 39 Ų | 39 | 95.1 Ų | 95.1 | 26% | 0.264 | 50% | 0.501 | S | S | . | . | trans | -138.9 | 75 | -174.4 | -71.1 | 0 | 0 | 0 | 0 | 112.9 | V45 T49 L101 | V45-C47 PolarHBondContact O-N 2.96Å; C47-T49 PolarHBondContact O-N 2.85Å; C47-T49 VanDerWaalsContact O-N 3.09Å; C47-L101 HydrophobicContact CB-CD1 4.41Å | ||
| 48 | D | 81.8 | Confident | 82 | Confident | 90 Ų | 90 | 98.1 Ų | 98.1 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -66.8 | -2.7 | 169 | -75.7 | -28 | 0 | 0 | 0 | 113.4 | Q56 V57 | D48-Q56 CarbonylContact O-C 3.55Å; D48-Q56 VanDerWaalsContact O-CA 3.26Å; D48-Q56 WeakPolarHBondContact O-CA 3.42Å; D48-V57 PolarHBondContact O-N 3.16Å |
| 49 | T | 91.1 | Very high | 82.1 | Confident | 62 Ų | 62 | 95.5 Ų | 95.5 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | B | Isolated β-bridge | trans | -118.2 | 130.6 | -178.3 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | C47 A51 V55 | C47-T49 PolarHBondContact O-N 2.85Å; C47-T49 VanDerWaalsContact O-N 3.09Å; T49-A51 PolarHBondContact O-N 2.99Å; T49-A51 VanDerWaalsContact O-N 3.13Å; T49-V55 CarbonylContact C-O 3.59Å; T49-V55 WeakPolarHBondContact CA-O 3.28Å; T49-V55 WeakPolarHBondContact CG2-O 3.44Å |
| 50 | C | 93.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 91.9 Ų | 91.9 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -63 | 113.8 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | I52 C53 R54 V55 | C50-I52 PolarHBondContact O-N 2.97Å; C50-C53 VanDerWaalsContact CB-SG 3.6Å; C50-C53 PolarHBondContact O-N 2.95Å; C50-C53 VanDerWaalsContact SG-SG 3.61Å; C50-R54 VanDerWaalsContact O-CA 3.3Å; C50-R54 WeakPolarHBondContact O-CA 3.45Å; C50-R54 PolarHBondContact O-N 3.42Å; C50-V55 PolarHBondContact N-O 3.39Å | ||
| 51 | A | 93.1 | Very high | 83.4 | Confident | 33 Ų | 33 | 83 Ų | 83 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T49 R54 F84 L101 | T49-A51 PolarHBondContact O-N 2.99Å; T49-A51 VanDerWaalsContact O-N 3.13Å; A51-R54 PolarHBondContact O-NE 3.35Å; A51-F84 HydrophobicContact CB-CE1 3.97Å; A51-L101 HydrophobicContact CB-CD2 4Å; A51-L101 HydrophobicContact CB-CG 4.39Å |
| 52 | I | 94.3 | Very high | 83.9 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -50.1 | -179.6 | -57.6 | 167.1 | 0 | 0 | 0 | 111.2 | C50 F84 C88 M89 W92 P100 | C50-I52 PolarHBondContact O-N 2.97Å; I52-F84 HydrophobicContact CD1-CD1 3.97Å; I52-F84 HydrophobicContact CD1-CG 4.43Å; I52-F84 HydrophobicContact CG1-CD1 4.14Å; I52-F84 HydrophobicContact CG1-CE1 4.49Å; I52-C88 HydrophobicContact CB-CB 3.97Å; I52-C88 HydrophobicContact CD1-CB 3.9Å; I52-C88 HydrophobicContact CG2-CB 3.92Å; I52-M89 HydrophobicContact CD1-CE 4.06Å; I52-W92 HydrophobicContact CD1-CB 4.02Å; I52-W92 HydrophobicContact CD1-CG 4.32Å; I52-P100 HydrophobicContact CD1-CG 4.14Å; I52-P100 HydrophobicContact CG1-CG 4.01Å |
| 53 | C | 94.6 | Very high | 85.3 | Confident | 29 Ų | 29 | 78.4 Ų | 78.4 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -5 | -175.9 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | C50 V55 C61 H85 C88 | C50-C53 VanDerWaalsContact CB-SG 3.6Å; C50-C53 PolarHBondContact O-N 2.95Å; C50-C53 VanDerWaalsContact SG-SG 3.61Å; C53-V55 PolarHBondContact O-N 3.08Å; C53-C61 HydrophobicContact CB-CB 4.37Å; C53-H85 PolarHBondContact SG-ND1 3.32Å; C53-C88 VanDerWaalsContact SG-SG 3.7Å |
| 54 | R | 93.6 | Very high | 86.6 | Confident | 201 Ų | 201 | 70.5 Ų | 70.5 | 76% | 0.758 | 36% | 0.359 | S | S | * | . | trans | 59.1 | 24.7 | 179.8 | -51.9 | -58.5 | -175.2 | 109 | 1.6 | 114.9 | C50 A51 | C50-R54 VanDerWaalsContact O-CA 3.3Å; C50-R54 WeakPolarHBondContact O-CA 3.45Å; C50-R54 PolarHBondContact O-N 3.42Å; A51-R54 PolarHBondContact O-NE 3.35Å | ||
| 55 | V | 94.1 | Very high | 88 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -105 | 153.3 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | T49 C50 C53 V57 D59 L62 | T49-V55 CarbonylContact C-O 3.59Å; T49-V55 WeakPolarHBondContact CA-O 3.28Å; T49-V55 WeakPolarHBondContact CG2-O 3.44Å; C50-V55 PolarHBondContact N-O 3.39Å; C53-V55 PolarHBondContact O-N 3.08Å; V55-V57 PolarHBondContact O-N 3.17Å; V55-D59 HydrophobicContact CG1-CB 3.9Å; V55-L62 HydrophobicContact CG2-CD1 3.1Å; V55-L62 HydrophobicContact CG2-CG 4.48Å |
| 56 | Q | 92.3 | Very high | 89.6 | Confident | 109 Ų | 109 | 68.7 Ų | 68.7 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -53.8 | 135.8 | 172 | -67.7 | -165.4 | -11.9 | 0 | 0 | 110.5 | D48 M58 D59 H85 | D48-Q56 CarbonylContact O-C 3.55Å; D48-Q56 VanDerWaalsContact O-CA 3.26Å; D48-Q56 WeakPolarHBondContact O-CA 3.42Å; Q56-M58 PolarHBondContact O-N 3.18Å; Q56-D59 HydrophobicContact CB-CB 4.37Å; Q56-D59 PolarHBondContact O-N 2.97Å; Q56-D59 VanDerWaalsContact O-N 3.08Å; Q56-H85 PolarHBondContact O-CE1 2.78Å; Q56-H85 PolarHBondContact O-NE2 3.48Å |
| 57 | V | 91.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19 | -176.4 | 73 | 0 | 0 | 0 | 0 | 112.5 | D48 V55 V75 H85 | D48-V57 PolarHBondContact O-N 3.16Å; V55-V57 PolarHBondContact O-N 3.17Å; V57-V75 HydrophobicContact CG2-CB 4.35Å; V57-V75 HydrophobicContact CG2-CG1 3.57Å; V57-V75 HydrophobicContact CG2-CG2 3.92Å; V57-V75 WeakPolarHBondContact O-CG2 3.48Å; V57-H85 WeakPolarHBondContact CA-NE2 3.16Å; V57-H85 PolarHBondContact O-NE2 3.17Å |
| 58 | M | 88.9 | Confident | 92.2 | Very high | 127 Ų | 127 | 68.2 Ų | 68.2 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -14.8 | 176.8 | -59.2 | -58.8 | 176.8 | 0 | 0 | 113.4 | Q56 | Q56-M58 PolarHBondContact O-N 3.18Š|
| 59 | D | 91.6 | Very high | 92.6 | Very high | 80 Ų | 80 | 68.3 Ų | 68.3 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -96.8 | 161.3 | 177.1 | -72.1 | -30.8 | 0 | 0 | 0 | 110.7 | V55 Q56 H85 | V55-D59 HydrophobicContact CG1-CB 3.9Å; Q56-D59 HydrophobicContact CB-CB 4.37Å; Q56-D59 PolarHBondContact O-N 2.97Å; Q56-D59 VanDerWaalsContact O-N 3.08Å; D59-H85 PolarHBondContact O-CE1 2.83Å; D59-H85 PolarHBondContact O-NE2 3.36Å |
| 60 | A | 92.9 | Very high | 92.5 | Very high | 16 Ų | 16 | 69 Ų | 69 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 142 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C64 Q65 Q70 C73 | A60-C64 HydrophobicContact CB-CB 4.32Å; A60-Q65 HydrophobicContact CB-CG 3.95Å; A60-Q65 PolarHBondContact O-NE2 3.44Å; A60-Q70 HydrophobicContact CB-CB 3.6Å; A60-Q70 HydrophobicContact CB-CG 3.63Å; A60-C73 HydrophobicContact CB-CB 3.95Å |
| 61 | C | 94.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 161.1 | 176 | 87.5 | 0 | 0 | 0 | 0 | 112.3 | C53 R63 C64 Q65 C73 H85 C87 | C53-C61 HydrophobicContact CB-CB 4.37Å; C61-R63 PolarHBondContact O-N 3.04Å; C61-C64 PolarHBondContact O-N 3.48Å; C61-C64 PolarHBondContact SG-N 2.89Å; C61-Q65 WeakPolarHBondContact O-CG 3.45Å; C61-Q65 PolarHBondContact O-N 3.06Å; C61-C73 PolarHBondContact N-SG 3.33Å; C61-H85 HydrophobicContact CB-CB 4.42Å; C61-H85 WeakPolarHBondContact CB-ND1 3.13Å; C61-C87 PolarHBondContact SG-SG 3.38Å |
| 62 | L | 92.4 | Very high | 91.8 | Very high | 110 Ų | 110 | 80.2 Ų | 80.2 | 58% | 0.576 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -49.9 | -38.6 | -179.9 | -101.1 | 70.4 | 0 | 0 | 0 | 114 | V55 A66 | V55-L62 HydrophobicContact CG2-CD1 3.1Å; V55-L62 HydrophobicContact CG2-CG 4.48Å; L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 2.83Å |
| 63 | R | 93.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 78.3 Ų | 78.3 | 34% | 0.343 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.2 | -46.5 | 179.8 | -179.6 | 176 | 55.9 | -117.3 | 0.1 | 111.9 | C61 Q65 A66 E67 C87 | C61-R63 PolarHBondContact O-N 3.04Å; R63-Q65 VanDerWaalsContact C-N 3.27Å; R63-Q65 PolarHBondContact O-N 3.14Å; R63-A66 PolarHBondContact O-N 3.3Å; R63-E67 PolarHBondContact O-N 3.13Å; R63-C87 PolarHBondContact NH2-O 3.06Å |
| 64 | C | 94.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 78.5 Ų | 78.5 | 7% | 0.074 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.7 | -32.2 | 178.9 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | A60 C61 N68 K69 C73 | A60-C64 HydrophobicContact CB-CB 4.32Å; C61-C64 PolarHBondContact O-N 3.48Å; C61-C64 PolarHBondContact SG-N 2.89Å; C64-N68 PolarHBondContact O-N 3.13Å; C64-K69 WeakPolarHBondContact CB-O 3.49Å; C64-K69 PolarHBondContact O-N 3.04Å; C64-C73 HydrophobicContact CB-CB 3.81Å |
| 65 | Q | 92.1 | Very high | 91.7 | Very high | 91 Ų | 91 | 69.6 Ų | 69.6 | 43% | 0.425 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 170.6 | -68.3 | -179 | 18.8 | 0 | 0 | 111.8 | A60 C61 R63 E67 N68 | A60-Q65 HydrophobicContact CB-CG 3.95Å; A60-Q65 PolarHBondContact O-NE2 3.44Å; C61-Q65 WeakPolarHBondContact O-CG 3.45Å; C61-Q65 PolarHBondContact O-N 3.06Å; R63-Q65 VanDerWaalsContact C-N 3.27Å; R63-Q65 PolarHBondContact O-N 3.14Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.45Å; Q65-N68 PolarHBondContact O-N 2.92Å |
| 66 | A | 93.4 | Very high | 91.8 | Very high | 89 Ų | 89 | 68.9 Ų | 68.9 | 74% | 0.736 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.1 | -33.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L62 R63 N68 | L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 2.83Å; R63-A66 PolarHBondContact O-N 3.3Å; A66-N68 VanDerWaalsContact C-N 3.35Å |
| 67 | E | 92.9 | Very high | 91.9 | Very high | 101 Ų | 101 | 65.9 Ų | 65.9 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -0.6 | 178.9 | -68.8 | -179 | -159.6 | 0 | 0 | 113.9 | R63 Q65 K69 | R63-E67 PolarHBondContact O-N 3.13Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.45Å; E67-K69 VanDerWaalsContact C-N 3.31Å; E67-K69 HydrophobicContact CB-CD 4.33Å; E67-K69 HydrophobicContact CB-CG 4.29Å; E67-K69 PolarHBondContact O-N 2.77Å; E67-K69 IonicContact OE2-NZ 3.68Å; E67-K69 PolarHBondContact OE2-NZ 3.33Å |
| 68 | N | 89.3 | Confident | 92 | Very high | 116 Ų | 116 | 65.7 Ų | 65.7 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 45.6 | -173.3 | -159 | 60 | 0 | 0 | 0 | 113.3 | C64 Q65 A66 Q70 | C64-N68 PolarHBondContact O-N 3.13Å; Q65-N68 PolarHBondContact O-N 2.92Å; A66-N68 VanDerWaalsContact C-N 3.35Å; N68-Q70 PolarHBondContact OD1-NE2 3.22Å; N68-Q70 PolarHBondContact OD1-OE1 3.31Å |
| 69 | K | 89.9 | Confident | 92.3 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | trans | -124.4 | 46.4 | 176.7 | -63.1 | 178.8 | -170.1 | 153 | 0 | 110.9 | C64 E67 E71 D72 | C64-K69 WeakPolarHBondContact CB-O 3.49Å; C64-K69 PolarHBondContact O-N 3.04Å; E67-K69 VanDerWaalsContact C-N 3.31Å; E67-K69 HydrophobicContact CB-CD 4.33Å; E67-K69 HydrophobicContact CB-CG 4.29Å; E67-K69 PolarHBondContact O-N 2.77Å; E67-K69 IonicContact OE2-NZ 3.68Å; E67-K69 PolarHBondContact OE2-NZ 3.33Å; K69-E71 VanDerWaalsContact C-N 3.26Å; K69-E71 PolarHBondContact O-N 2.74Å; K69-D72 PolarHBondContact O-N 3.33Å | ||
| 70 | Q | 88.8 | Confident | 92.4 | Very high | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -65.8 | -34.1 | -176.6 | -60.6 | 87.6 | -22.2 | 0 | 0 | 111 | A60 N68 D72 C73 | A60-Q70 HydrophobicContact CB-CB 3.6Å; A60-Q70 HydrophobicContact CB-CG 3.63Å; N68-Q70 PolarHBondContact OD1-NE2 3.22Å; N68-Q70 PolarHBondContact OD1-OE1 3.31Å; Q70-D72 VanDerWaalsContact C-N 3.26Å; Q70-D72 PolarHBondContact O-N 2.85Å; Q70-C73 WeakPolarHBondContact O-CB 3.43Å; Q70-C73 PolarHBondContact O-N 3.03Å; Q70-C73 VanDerWaalsContact O-N 3.1Å |
| 71 | E | 86.3 | Confident | 92.3 | Very high | 158 Ų | 158 | 67.5 Ų | 67.5 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -65.3 | -22.6 | 177.8 | 53.5 | -132.5 | 122.8 | 0 | 0 | 114.6 | K69 | K69-E71 VanDerWaalsContact C-N 3.26Å; K69-E71 PolarHBondContact O-N 2.74Å |
| 72 | D | 87.2 | Confident | 92.2 | Very high | 109 Ų | 109 | 69.6 Ų | 69.6 | 58% | 0.583 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -87.9 | -7.9 | 175.3 | -66.2 | -33.6 | 0 | 0 | 0 | 112.8 | K69 Q70 V74 | K69-D72 PolarHBondContact O-N 3.33Å; Q70-D72 VanDerWaalsContact C-N 3.26Å; Q70-D72 PolarHBondContact O-N 2.85Å; D72-V74 VanDerWaalsContact C-N 3.3Å; D72-V74 PolarHBondContact O-N 2.91Å |
| 73 | C | 93.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 10% | 0.101 | 33% | 0.33 | C | S | . | . | trans | -85.4 | 70.8 | -174 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | A60 C61 C64 Q70 | A60-C73 HydrophobicContact CB-CB 3.95Å; C61-C73 PolarHBondContact N-SG 3.33Å; C64-C73 HydrophobicContact CB-CB 3.81Å; Q70-C73 WeakPolarHBondContact O-CB 3.43Å; Q70-C73 PolarHBondContact O-N 3.03Å; Q70-C73 VanDerWaalsContact O-N 3.1Å | ||
| 74 | V | 93.9 | Very high | 92.3 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | trans | -80.5 | 156.4 | 179.8 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | D72 N86 I111 G112 | D72-V74 VanDerWaalsContact C-N 3.3Å; D72-V74 PolarHBondContact O-N 2.91Å; V74-N86 HydrophobicContact CG2-CB 3.63Å; V74-N86 WeakPolarHBondContact O-CB 3.46Å; V74-N86 PolarHBondContact O-N 3.46Å; V74-I111 HydrophobicContact CB-CG2 4.27Å; V74-I111 HydrophobicContact CG2-CG2 3.74Å; V74-G112 VanDerWaalsContact CB-O 3.24Å; V74-G112 WeakPolarHBondContact CB-O 3.43Å | ||
| 75 | V | 94.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 141.9 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | V57 W77 I111 G112 | V57-V75 HydrophobicContact CG2-CB 4.35Å; V57-V75 HydrophobicContact CG2-CG1 3.57Å; V57-V75 HydrophobicContact CG2-CG2 3.92Å; V57-V75 WeakPolarHBondContact O-CG2 3.48Å; V75-W77 HydrophobicContact CB-CE3 4.36Å; V75-W77 HydrophobicContact CB-CH2 3.46Å; V75-W77 VanDerWaalsContact CB-CH2 3.46Å; V75-W77 HydrophobicContact CB-CZ2 4.09Å; V75-W77 HydrophobicContact CB-CZ3 3.59Å; V75-W77 HydrophobicContact CG1-CD2 4.05Å; V75-W77 HydrophobicContact CG1-CE3 3.91Å; V75-W77 HydrophobicContact CG1-CH2 3.35Å; V75-W77 HydrophobicContact CG1-CZ2 3.48Å; V75-W77 VanDerWaalsContact CG1-CZ2 3.48Å; V75-W77 HydrophobicContact CG1-CZ3 3.54Å; V75-W77 HydrophobicContact CG2-CH2 4.39Å; V75-W77 WeakPolarHBondContact O-CZ3 3.3Å; V75-I111 WeakPolarHBondContact O-CA 3.24Å; V75-G112 PolarHBondContact O-N 2.97Å |
| 76 | V | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.9 | 172.7 | 66.5 | 0 | 0 | 0 | 0 | 110.2 | S83 F84 N86 M89 W106 V108 I111 | V76-S83 WeakPolarHBondContact O-CA 3.36Å; V76-F84 HydrophobicContact CG1-CB 4.43Å; V76-F84 WeakPolarHBondContact CG1-O 3.43Å; V76-F84 PolarHBondContact N-O 3.03Å; V76-F84 PolarHBondContact O-N 3.24Å; V76-N86 HydrophobicContact CB-CB 4.38Å; V76-N86 HydrophobicContact CG1-CB 4.44Å; V76-M89 HydrophobicContact CG1-CB 3.92Å; V76-M89 HydrophobicContact CG1-CG 4.35Å; V76-W106 HydrophobicContact CG1-CZ2 4.03Å; V76-W106 HydrophobicContact CG2-CZ2 4.1Å; V76-V108 HydrophobicContact CG2-CB 4.47Å; V76-V108 HydrophobicContact CG2-CG1 3.69Å; V76-V108 HydrophobicContact CG2-CG2 4.08Å; V76-I111 HydrophobicContact CB-CG1 4.48Å; V76-I111 HydrophobicContact CG2-CG1 3.97Å |
| 77 | W | 93.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.2 | 175 | -65.2 | -101.8 | 0 | 0 | 0 | 109.7 | V75 H82 Q109 R110 | V75-W77 HydrophobicContact CB-CE3 4.36Å; V75-W77 HydrophobicContact CB-CH2 3.46Å; V75-W77 VanDerWaalsContact CB-CH2 3.46Å; V75-W77 HydrophobicContact CB-CZ2 4.09Å; V75-W77 HydrophobicContact CB-CZ3 3.59Å; V75-W77 HydrophobicContact CG1-CD2 4.05Å; V75-W77 HydrophobicContact CG1-CE3 3.91Å; V75-W77 HydrophobicContact CG1-CH2 3.35Å; V75-W77 HydrophobicContact CG1-CZ2 3.48Å; V75-W77 VanDerWaalsContact CG1-CZ2 3.48Å; V75-W77 HydrophobicContact CG1-CZ3 3.54Å; V75-W77 HydrophobicContact CG2-CH2 4.39Å; V75-W77 WeakPolarHBondContact O-CZ3 3.3Å; W77-H82 WeakPolarHBondContact CA-O 3.43Å; W77-Q109 PolarHBondContact O-N 2.84Å; W77-R110 HydrophobicContact CB-CG 3.76Å; W77-R110 VanDerWaalsContact CD1-NH2 3.3Å; W77-R110 HydrophobicContact CD2-CG 4.03Å; W77-R110 HydrophobicContact CE3-CG 3.77Å; W77-R110 HydrophobicContact CG-CG 4.07Å; W77-R110 PolarHBondContact N-O 3.01Å; W77-R110 PolarHBondContact O-N 2.82Å |
| 78 | G | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 164.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C80 N81 H82 W106 V107 Q109 | G78-C80 PolarHBondContact O-N 3.26Å; G78-C80 VanDerWaalsContact O-N 3.17Å; G78-N81 WeakPolarHBondContact O-CA 3.45Å; G78-N81 PolarHBondContact O-N 2.76Å; G78-H82 PolarHBondContact N-O 2.88Å; G78-W106 VanDerWaalsContact CA-CH2 3.49Å; G78-V107 CarbonylContact C-O 3.51Å; G78-V107 WeakPolarHBondContact CA-O 3.4Å; G78-Q109 PolarHBondContact O-OE1 3.11Å |
| 79 | E | 95.6 | Very high | 93 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.2 | 171.9 | -67.2 | -171.2 | 157.6 | 0 | 0 | 112.8 | N81 V107 Q109 | E79-N81 PolarHBondContact O-N 2.95Å; E79-V107 HydrophobicContact CG-CB 4.06Å; E79-V107 HydrophobicContact CG-CG1 4.02Å; E79-V107 PolarHBondContact N-O 3.24Å; E79-Q109 HydrophobicContact CG-CB 4.16Å |
| 80 | C | 93.4 | Very high | 93.2 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 17% | 0.169 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 8.1 | 169.9 | 62 | 0 | 0 | 0 | 0 | 114.1 | G78 H82 C99 C102 | G78-C80 PolarHBondContact O-N 3.26Å; G78-C80 VanDerWaalsContact O-N 3.17Å; C80-H82 PolarHBondContact O-N 3.09Å; C80-C99 VanDerWaalsContact SG-SG 3.67Å; C80-C102 VanDerWaalsContact CB-SG 3.58Å |
| 81 | N | 90.9 | Very high | 93.5 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 58% | 0.583 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 59.7 | 6.5 | -175.9 | -69.3 | -52.4 | 0 | 0 | 0 | 116.5 | G78 E79 | G78-N81 WeakPolarHBondContact O-CA 3.45Å; G78-N81 PolarHBondContact O-N 2.76Å; E79-N81 PolarHBondContact O-N 2.95Å |
| 82 | H | 92 | Very high | 94 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 21% | 0.213 | 21% | 0.205 | C | C | . | . | trans | -80.3 | 138.7 | 173.1 | -66.4 | 118.5 | 0 | 0 | 0 | 112.4 | W77 G78 C80 F84 C99 L101 | W77-H82 WeakPolarHBondContact CA-O 3.43Å; G78-H82 PolarHBondContact N-O 2.88Å; C80-H82 PolarHBondContact O-N 3.09Å; H82-F84 HydrophobicContact CB-CE2 3.59Å; H82-F84 HydrophobicContact CB-CZ 4.02Å; H82-C99 PolarHBondContact ND1-SG 2.82Å; H82-L101 HydrophobicContact CB-CD1 4.04Å; H82-L101 WeakPolarHBondContact CD2-CD1 3.36Å | ||
| 83 | S | 93.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.3 | -178.7 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | V76 | V76-S83 WeakPolarHBondContact O-CA 3.36Å |
| 84 | F | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 167.2 | 176.6 | -55.4 | -89.8 | 0 | 0 | 0 | 110.1 | A51 I52 V76 H82 M89 P100 L101 W106 | A51-F84 HydrophobicContact CB-CE1 3.97Å; I52-F84 HydrophobicContact CD1-CD1 3.97Å; I52-F84 HydrophobicContact CD1-CG 4.43Å; I52-F84 HydrophobicContact CG1-CD1 4.14Å; I52-F84 HydrophobicContact CG1-CE1 4.49Å; V76-F84 HydrophobicContact CG1-CB 4.43Å; V76-F84 WeakPolarHBondContact CG1-O 3.43Å; V76-F84 PolarHBondContact N-O 3.03Å; V76-F84 PolarHBondContact O-N 3.24Å; H82-F84 HydrophobicContact CB-CE2 3.59Å; H82-F84 HydrophobicContact CB-CZ 4.02Å; F84-M89 HydrophobicContact CB-CB 4.3Å; F84-M89 HydrophobicContact CB-CE 3.95Å; F84-M89 HydrophobicContact CD1-CE 3.97Å; F84-M89 HydrophobicContact CD2-CE 3.09Å; F84-M89 HydrophobicContact CE1-CE 4.25Å; F84-M89 HydrophobicContact CE2-CE 3.43Å; F84-M89 VanDerWaalsContact CE2-CE 3.43Å; F84-M89 HydrophobicContact CG-CE 3.38Å; F84-M89 HydrophobicContact CZ-CE 4.01Å; F84-P100 HydrophobicContact CE1-CB 4.21Å; F84-P100 HydrophobicContact CE1-CG 3.89Å; F84-P100 HydrophobicContact CZ-CB 4.32Å; F84-P100 HydrophobicContact CZ-CG 3.99Å; F84-L101 HydrophobicContact CE1-CD1 4.26Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CZ-CD1 3.83Å; F84-L101 HydrophobicContact CZ-CG 4.02Å; F84-W106 AromaticContact CD2-CH2 3.63Å; F84-W106 HydrophobicContact CD2-CH2 3.63Å; F84-W106 AromaticContact CD2-CZ3 3.79Å; F84-W106 HydrophobicContact CD2-CZ3 3.79Å; F84-W106 AromaticContact CE2-CH2 3.97Å; F84-W106 HydrophobicContact CE2-CH2 3.97Å; F84-W106 AromaticContact CE2-CZ3 3.63Å; F84-W106 HydrophobicContact CE2-CZ3 3.63Å |
| 85 | H | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.7 | 164.1 | -59.4 | 127.2 | 0 | 0 | 0 | 110.2 | C53 Q56 V57 D59 C61 C87 C88 M89 | C53-H85 PolarHBondContact SG-ND1 3.32Å; Q56-H85 PolarHBondContact O-CE1 2.78Å; Q56-H85 PolarHBondContact O-NE2 3.48Å; V57-H85 WeakPolarHBondContact CA-NE2 3.16Å; V57-H85 PolarHBondContact O-NE2 3.17Å; D59-H85 PolarHBondContact O-CE1 2.83Å; D59-H85 PolarHBondContact O-NE2 3.36Å; C61-H85 HydrophobicContact CB-CB 4.42Å; C61-H85 WeakPolarHBondContact CB-ND1 3.13Å; H85-C87 PolarHBondContact O-N 3.25Å; H85-C88 HydrophobicContact CB-CB 4.04Å; H85-C88 WeakPolarHBondContact O-CB 3.26Å; H85-C88 PolarHBondContact O-N 3.43Å; H85-M89 PolarHBondContact O-N 3.27Å |
| 86 | N | 95.3 | Very high | 94.6 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.5 | -43.4 | 176.2 | 170.1 | 53.5 | 0 | 0 | 0 | 111.7 | V74 V76 C88 M89 S90 | V74-N86 HydrophobicContact CG2-CB 3.63Å; V74-N86 WeakPolarHBondContact O-CB 3.46Å; V74-N86 PolarHBondContact O-N 3.46Å; V76-N86 HydrophobicContact CB-CB 4.38Å; V76-N86 HydrophobicContact CG1-CB 4.44Å; N86-C88 VanDerWaalsContact C-N 3.33Å; N86-C88 PolarHBondContact O-N 2.84Å; N86-M89 PolarHBondContact O-N 3.42Å; N86-S90 WeakPolarHBondContact O-CB 3.43Å; N86-S90 PolarHBondContact O-N 2.99Å; N86-S90 PolarHBondContact O-OG 3.08Å; N86-S90 PolarHBondContact OD1-OG 3.06Å |
| 87 | C | 95 | Very high | 94.6 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 14% | 0.142 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -31.5 | -179.9 | 66.5 | 0 | 0 | 0 | 0 | 112.7 | C61 R63 H85 | C61-C87 PolarHBondContact SG-SG 3.38Å; R63-C87 PolarHBondContact NH2-O 3.06Å; H85-C87 PolarHBondContact O-N 3.25Å |
| 88 | C | 95.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.7 | -49 | 175.3 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | I52 C53 H85 N86 L91 W92 | I52-C88 HydrophobicContact CB-CB 3.97Å; I52-C88 HydrophobicContact CD1-CB 3.9Å; I52-C88 HydrophobicContact CG2-CB 3.92Å; C53-C88 VanDerWaalsContact SG-SG 3.7Å; H85-C88 HydrophobicContact CB-CB 4.04Å; H85-C88 WeakPolarHBondContact O-CB 3.26Å; H85-C88 PolarHBondContact O-N 3.43Å; N86-C88 VanDerWaalsContact C-N 3.33Å; N86-C88 PolarHBondContact O-N 2.84Å; C88-L91 PolarHBondContact O-N 3.2Å; C88-W92 PolarHBondContact O-N 3.25Å; C88-W92 VanDerWaalsContact O-N 3.14Å |
| 89 | M | 95.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | -179.4 | -173.2 | 55.1 | 68.5 | 0 | 0 | 112.1 | I52 V76 F84 H85 N86 L91 W92 V93 P100 W106 | I52-M89 HydrophobicContact CD1-CE 4.06Å; V76-M89 HydrophobicContact CG1-CB 3.92Å; V76-M89 HydrophobicContact CG1-CG 4.35Å; F84-M89 HydrophobicContact CB-CB 4.3Å; F84-M89 HydrophobicContact CB-CE 3.95Å; F84-M89 HydrophobicContact CD1-CE 3.97Å; F84-M89 HydrophobicContact CD2-CE 3.09Å; F84-M89 HydrophobicContact CE1-CE 4.25Å; F84-M89 HydrophobicContact CE2-CE 3.43Å; F84-M89 VanDerWaalsContact CE2-CE 3.43Å; F84-M89 HydrophobicContact CG-CE 3.38Å; F84-M89 HydrophobicContact CZ-CE 4.01Å; H85-M89 PolarHBondContact O-N 3.27Å; N86-M89 PolarHBondContact O-N 3.42Å; M89-L91 PolarHBondContact O-N 2.87Å; M89-L91 VanDerWaalsContact O-N 3.13Å; M89-W92 WeakPolarHBondContact O-CB 3.48Å; M89-W92 PolarHBondContact O-N 3.2Å; M89-W92 HydrophobicContact SD-CB 4.25Å; M89-W92 HydrophobicContact SD-CG 4.42Å; M89-V93 HydrophobicContact CG-CG1 4.11Å; M89-V93 WeakPolarHBondContact O-CG1 3.46Å; M89-V93 WeakPolarHBondContact O-CG2 3.36Å; M89-V93 PolarHBondContact O-N 3.05Å; M89-V93 HydrophobicContact SD-CG1 3.78Å; M89-P100 HydrophobicContact CE-CG 4.23Å; M89-W106 HydrophobicContact CE-CD2 4.01Å; M89-W106 HydrophobicContact CE-CE3 3.84Å; M89-W106 HydrophobicContact CE-CH2 3.79Å; M89-W106 HydrophobicContact CE-CZ2 3.96Å; M89-W106 HydrophobicContact CE-CZ3 3.74Å; M89-W106 HydrophobicContact CG-CD2 4.05Å; M89-W106 HydrophobicContact CG-CG 4.49Å; M89-W106 HydrophobicContact CG-CH2 4.32Å; M89-W106 HydrophobicContact CG-CZ2 3.55Å; M89-W106 HydrophobicContact SD-CD2 3.74Å; M89-W106 HydrophobicContact SD-CE3 4.16Å; M89-W106 HydrophobicContact SD-CG 4.08Å; M89-W106 HydrophobicContact SD-CZ2 4.16Å |
| 90 | S | 94.4 | Very high | 94.7 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -25.8 | 177.9 | -69.1 | 0 | 0 | 0 | 0 | 113.8 | N86 K94 | N86-S90 WeakPolarHBondContact O-CB 3.43Å; N86-S90 PolarHBondContact O-N 2.99Å; N86-S90 PolarHBondContact O-OG 3.08Å; N86-S90 PolarHBondContact OD1-OG 3.06Å; S90-K94 WeakPolarHBondContact O-CG 3.38Å |
| 91 | L | 94.9 | Very high | 94.7 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -87.4 | -36.7 | 173.1 | -69 | -179.2 | 0 | 0 | 0 | 112.5 | C88 M89 K94 | C88-L91 PolarHBondContact O-N 3.2Å; M89-L91 PolarHBondContact O-N 2.87Å; M89-L91 VanDerWaalsContact O-N 3.13Å; L91-K94 HydrophobicContact CD2-CD 4.35Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.22Å |
| 92 | W | 95.6 | Very high | 94.8 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 35% | 0.345 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 178.5 | -178.6 | -92.3 | 0 | 0 | 0 | 111.8 | I52 C88 M89 K94 Q95 N96 R98 P100 | I52-W92 HydrophobicContact CD1-CB 4.02Å; I52-W92 HydrophobicContact CD1-CG 4.32Å; C88-W92 PolarHBondContact O-N 3.25Å; C88-W92 VanDerWaalsContact O-N 3.14Å; M89-W92 WeakPolarHBondContact O-CB 3.48Å; M89-W92 PolarHBondContact O-N 3.2Å; M89-W92 HydrophobicContact SD-CB 4.25Å; M89-W92 HydrophobicContact SD-CG 4.42Å; W92-K94 PolarHBondContact O-N 2.74Å; W92-K94 VanDerWaalsContact O-N 3.08Å; W92-Q95 PolarHBondContact O-N 2.83Å; W92-N96 VanDerWaalsContact CD1-O 3.26Å; W92-N96 PolarHBondContact NE1-O 2.92Å; W92-N96 PolarHBondContact O-N 3.44Å; W92-R98 PolarHBondContact NE1-O 2.91Å; W92-P100 HydrophobicContact CD2-CG 4.11Å; W92-P100 HydrophobicContact CG-CG 4.37Å; W92-P100 HydrophobicContact CZ2-CB 4.27Å; W92-P100 HydrophobicContact CZ2-CG 4.1Å |
| 93 | V | 96.1 | Very high | 95 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.5 | -178.1 | -61.3 | 0 | 0 | 0 | 0 | 113.9 | M89 Q95 N96 W106 | M89-V93 HydrophobicContact CG-CG1 4.11Å; M89-V93 WeakPolarHBondContact O-CG1 3.46Å; M89-V93 WeakPolarHBondContact O-CG2 3.36Å; M89-V93 PolarHBondContact O-N 3.05Å; M89-V93 HydrophobicContact SD-CG1 3.78Å; V93-Q95 VanDerWaalsContact C-N 3.26Å; V93-Q95 PolarHBondContact O-N 3.29Å; V93-N96 WeakPolarHBondContact CA-O 3.04Å; V93-W106 HydrophobicContact CG1-CB 4.27Å; V93-W106 HydrophobicContact CG1-CG 3.96Å |
| 94 | K | 96.1 | Very high | 95.1 | Very high | 164 Ų | 164 | 64.2 Ų | 64.2 | 71% | 0.713 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -27.4 | 173.9 | -65.4 | -179.4 | -178.7 | -177.4 | 0 | 112.7 | S90 L91 W92 | S90-K94 WeakPolarHBondContact O-CG 3.38Å; L91-K94 HydrophobicContact CD2-CD 4.35Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.22Å; W92-K94 PolarHBondContact O-N 2.74Å; W92-K94 VanDerWaalsContact O-N 3.08Å |
| 95 | Q | 95.1 | Very high | 95.2 | Very high | 185 Ų | 185 | 69.5 Ų | 69.5 | 86% | 0.864 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -37.5 | 179.9 | -63.2 | -179.1 | 13.9 | 0 | 0 | 111.7 | W92 V93 | W92-Q95 PolarHBondContact O-N 2.83Å; V93-Q95 VanDerWaalsContact C-N 3.26Å; V93-Q95 PolarHBondContact O-N 3.29Å |
| 96 | N | 94.3 | Very high | 95.2 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | trans | -147.4 | 112.5 | -178 | -175.3 | 7.2 | 0 | 0 | 0 | 110.4 | W92 V93 R98 | W92-N96 VanDerWaalsContact CD1-O 3.26Å; W92-N96 PolarHBondContact NE1-O 2.92Å; W92-N96 PolarHBondContact O-N 3.44Å; V93-N96 WeakPolarHBondContact CA-O 3.04Å; N96-R98 PolarHBondContact O-N 3.44Å; N96-R98 WeakPolarHBondContact OD1-CG 3.34Å | ||
| 97 | N | 95.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 71.2 Ų | 71.2 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -81.1 | 38.5 | -178.2 | -163.6 | 56.9 | 0 | 0 | 0 | 113.4 | W106 | N97-W106 PolarHBondContact O-N 2.84Š| ||
| 98 | R | 96.6 | Very high | 95.3 | Very high | 106 Ų | 106 | 73.7 Ų | 73.7 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -126.8 | 146 | -179.3 | -57.4 | -174.1 | 101 | -147.6 | -1 | 110.7 | W92 N96 Q103 Q104 D105 | W92-R98 PolarHBondContact NE1-O 2.91Å; N96-R98 PolarHBondContact O-N 3.44Å; N96-R98 WeakPolarHBondContact OD1-CG 3.34Å; R98-Q103 PolarHBondContact NE-O 3.33Å; R98-Q103 PolarHBondContact NH1-O 3.35Å; R98-Q103 PolarHBondContact NH2-O 3.45Å; R98-Q104 CarbonylContact C-O 3.5Å; R98-Q104 VanDerWaalsContact CA-O 3.28Å; R98-Q104 WeakPolarHBondContact CA-O 3.5Å; R98-D105 IonicContact NE-OD1 2.83Å |
| 99 | C | 95.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | trans | -59.1 | 129.8 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | C80 H82 L101 C102 Q103 Q104 W106 | C80-C99 VanDerWaalsContact SG-SG 3.67Å; H82-C99 PolarHBondContact ND1-SG 2.82Å; C99-L101 PolarHBondContact O-N 3.2Å; C99-L101 VanDerWaalsContact O-N 3.16Å; C99-C102 VanDerWaalsContact CB-SG 3.56Å; C99-C102 VanDerWaalsContact SG-SG 3.67Å; C99-Q103 WeakPolarHBondContact O-CA 3.37Å; C99-Q103 PolarHBondContact O-N 3.1Å; C99-Q104 PolarHBondContact N-O 3.35Å; C99-W106 HydrophobicContact CB-CE3 4.19Å | ||
| 100 | P | 93.4 | Very high | 95.1 | Very high | 40 Ų | 40 | 83 Ų | 83 | 26% | 0.26 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.7 | 176.8 | -24.1 | 31.4 | 0 | 0 | 0 | 115.4 | I52 F84 M89 W92 | I52-P100 HydrophobicContact CD1-CG 4.14Å; I52-P100 HydrophobicContact CG1-CG 4.01Å; F84-P100 HydrophobicContact CE1-CB 4.21Å; F84-P100 HydrophobicContact CE1-CG 3.89Å; F84-P100 HydrophobicContact CZ-CB 4.32Å; F84-P100 HydrophobicContact CZ-CG 3.99Å; M89-P100 HydrophobicContact CE-CG 4.23Å; W92-P100 HydrophobicContact CD2-CG 4.11Å; W92-P100 HydrophobicContact CG-CG 4.37Å; W92-P100 HydrophobicContact CZ2-CB 4.27Å; W92-P100 HydrophobicContact CZ2-CG 4.1Å |
| 101 | L | 92.3 | Very high | 95.1 | Very high | 67 Ų | 67 | 85.2 Ų | 85.2 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -56.8 | -174.2 | -67.2 | 171.7 | 0 | 0 | 0 | 112.2 | C47 A51 H82 F84 C99 | C47-L101 HydrophobicContact CB-CD1 4.41Å; A51-L101 HydrophobicContact CB-CD2 4Å; A51-L101 HydrophobicContact CB-CG 4.39Å; H82-L101 HydrophobicContact CB-CD1 4.04Å; H82-L101 WeakPolarHBondContact CD2-CD1 3.36Å; F84-L101 HydrophobicContact CE1-CD1 4.26Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CZ-CD1 3.83Å; F84-L101 HydrophobicContact CZ-CG 4.02Å; C99-L101 PolarHBondContact O-N 3.2Å; C99-L101 VanDerWaalsContact O-N 3.16Å |
| 102 | C | 94.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 82.8 Ų | 82.8 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -4.5 | -178.1 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | C80 C99 Q104 | C80-C102 VanDerWaalsContact CB-SG 3.58Å; C99-C102 VanDerWaalsContact CB-SG 3.56Å; C99-C102 VanDerWaalsContact SG-SG 3.67Å; C102-Q104 HydrophobicContact CB-CG 4.39Å; C102-Q104 PolarHBondContact O-N 3.02Å; C102-Q104 PolarHBondContact SG-OE1 3.43Å; C102-Q104 VanDerWaalsContact SG-OE1 3.4Å |
| 103 | Q | 95.2 | Very high | 92.9 | Very high | 125 Ų | 125 | 91 Ų | 91 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | trans | 59.2 | 11.9 | -176.4 | -54.5 | 175.2 | 61 | 0 | 0 | 114.8 | R98 C99 | R98-Q103 PolarHBondContact NE-O 3.33Å; R98-Q103 PolarHBondContact NH1-O 3.35Å; R98-Q103 PolarHBondContact NH2-O 3.45Å; C99-Q103 WeakPolarHBondContact O-CA 3.37Å; C99-Q103 PolarHBondContact O-N 3.1Å | ||
| 104 | Q | 95.2 | Very high | 92.7 | Very high | 111 Ų | 111 | 93.5 Ų | 93.5 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | trans | -70.6 | 157.5 | 171.4 | -67.8 | 173.5 | -35.4 | 0 | 0 | 110.9 | R98 C99 C102 W106 | R98-Q104 CarbonylContact C-O 3.5Å; R98-Q104 VanDerWaalsContact CA-O 3.28Å; R98-Q104 WeakPolarHBondContact CA-O 3.5Å; C99-Q104 PolarHBondContact N-O 3.35Å; C102-Q104 HydrophobicContact CB-CG 4.39Å; C102-Q104 PolarHBondContact O-N 3.02Å; C102-Q104 PolarHBondContact SG-OE1 3.43Å; C102-Q104 VanDerWaalsContact SG-OE1 3.4Å; Q104-W106 PolarHBondContact O-N 3.25Å | ||
| 105 | D | 97 | Very high | 92.5 | Very high | 113 Ų | 113 | 89.7 Ų | 89.7 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | B | Isolated β-bridge | trans | -58.9 | 132.2 | 176.4 | -64.9 | -29 | 0 | 0 | 0 | 110.2 | R98 V107 | R98-D105 IonicContact NE-OD1 2.83Å; D105-V107 PolarHBondContact O-N 3.03Å |
| 106 | W | 96.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 84.4 Ų | 84.4 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | trans | -79.6 | 113.4 | -174.1 | -179.8 | -96.8 | 0 | 0 | 0 | 110.5 | V76 G78 F84 M89 V93 N97 C99 Q104 | V76-W106 HydrophobicContact CG1-CZ2 4.03Å; V76-W106 HydrophobicContact CG2-CZ2 4.1Å; G78-W106 VanDerWaalsContact CA-CH2 3.49Å; F84-W106 AromaticContact CD2-CH2 3.63Å; F84-W106 HydrophobicContact CD2-CH2 3.63Å; F84-W106 AromaticContact CD2-CZ3 3.79Å; F84-W106 HydrophobicContact CD2-CZ3 3.79Å; F84-W106 AromaticContact CE2-CH2 3.97Å; F84-W106 HydrophobicContact CE2-CH2 3.97Å; F84-W106 AromaticContact CE2-CZ3 3.63Å; F84-W106 HydrophobicContact CE2-CZ3 3.63Å; M89-W106 HydrophobicContact CE-CD2 4.01Å; M89-W106 HydrophobicContact CE-CE3 3.84Å; M89-W106 HydrophobicContact CE-CH2 3.79Å; M89-W106 HydrophobicContact CE-CZ2 3.96Å; M89-W106 HydrophobicContact CE-CZ3 3.74Å; M89-W106 HydrophobicContact CG-CD2 4.05Å; M89-W106 HydrophobicContact CG-CG 4.49Å; M89-W106 HydrophobicContact CG-CH2 4.32Å; M89-W106 HydrophobicContact CG-CZ2 3.55Å; M89-W106 HydrophobicContact SD-CD2 3.74Å; M89-W106 HydrophobicContact SD-CE3 4.16Å; M89-W106 HydrophobicContact SD-CG 4.08Å; M89-W106 HydrophobicContact SD-CZ2 4.16Å; V93-W106 HydrophobicContact CG1-CB 4.27Å; V93-W106 HydrophobicContact CG1-CG 3.96Å; N97-W106 PolarHBondContact O-N 2.84Å; C99-W106 HydrophobicContact CB-CE3 4.19Å; Q104-W106 PolarHBondContact O-N 3.25Å | ||
| 107 | V | 96.2 | Very high | 92.3 | Very high | 68 Ų | 68 | 85.1 Ų | 85.1 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | trans | -124.6 | 127.4 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | G78 E79 D105 Q109 | G78-V107 CarbonylContact C-O 3.51Å; G78-V107 WeakPolarHBondContact CA-O 3.4Å; E79-V107 HydrophobicContact CG-CB 4.06Å; E79-V107 HydrophobicContact CG-CG1 4.02Å; E79-V107 PolarHBondContact N-O 3.24Å; D105-V107 PolarHBondContact O-N 3.03Å; V107-Q109 PolarHBondContact O-N 3.46Å | ||
| 108 | V | 95.6 | Very high | 92.1 | Very high | 73 Ų | 73 | 84.9 Ų | 84.9 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.4 | -179 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | V76 I111 | V76-V108 HydrophobicContact CG2-CB 4.47Å; V76-V108 HydrophobicContact CG2-CG1 3.69Å; V76-V108 HydrophobicContact CG2-CG2 4.08Å; V108-I111 HydrophobicContact CG1-CD1 4.49Å; V108-I111 HydrophobicContact CG1-CG1 4.06Å |
| 109 | Q | 94.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 83.5 Ų | 83.5 | 43% | 0.425 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -46.5 | 173.9 | -178.2 | -177.7 | -30.7 | 0 | 0 | 111.5 | W77 G78 E79 V107 | W77-Q109 PolarHBondContact O-N 2.84Å; G78-Q109 PolarHBondContact O-OE1 3.11Å; E79-Q109 HydrophobicContact CG-CB 4.16Å; V107-Q109 PolarHBondContact O-N 3.46Å |
| 110 | R | 93.2 | Very high | 91.5 | Very high | 113 Ų | 113 | 89.4 Ų | 89.4 | 43% | 0.426 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 153.3 | -178.3 | 58.9 | 178.2 | -171 | -102.4 | 4.1 | 112.2 | W77 | W77-R110 HydrophobicContact CB-CG 3.76Å; W77-R110 VanDerWaalsContact CD1-NH2 3.3Å; W77-R110 HydrophobicContact CD2-CG 4.03Å; W77-R110 HydrophobicContact CE3-CG 3.77Å; W77-R110 HydrophobicContact CG-CG 4.07Å; W77-R110 PolarHBondContact N-O 3.01Å; W77-R110 PolarHBondContact O-N 2.82Å |
| 111 | I | 93.4 | Very high | 91.4 | Very high | 98 Ų | 98 | 93.2 Ų | 93.2 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.7 | 172.5 | -59.4 | 171.9 | 0 | 0 | 0 | 107.4 | V74 V75 V76 V108 | V74-I111 HydrophobicContact CB-CG2 4.27Å; V74-I111 HydrophobicContact CG2-CG2 3.74Å; V75-I111 WeakPolarHBondContact O-CA 3.24Å; V76-I111 HydrophobicContact CB-CG1 4.48Å; V76-I111 HydrophobicContact CG2-CG1 3.97Å; V108-I111 HydrophobicContact CG1-CD1 4.49Å; V108-I111 HydrophobicContact CG1-CG1 4.06Å |
| 112 | G | 82.8 | Confident | 91.3 | Very high | 23 Ų | 23 | 95.3 Ų | 95.3 | 24% | 0.237 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V74 V75 | V74-G112 VanDerWaalsContact CB-O 3.24Å; V74-G112 WeakPolarHBondContact CB-O 3.43Å; V75-G112 PolarHBondContact O-N 2.97Å |
| 113 | K | 61.5 | Low | 91 | Very high | 264 Ų | 264 | 99.7 Ų | 99.7 | 100% | 1.148 | 49% | 0.488 | S | S | * | . | trans | -89.1 | 0 | 165.6 | -74 | -174.9 | 175.8 | -177 | 0 | 109.3 |
Retrieved 113 of 113 residues in 81.7 ms
(Link to these results)